data_2l0q_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 2l0q _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.0 m . . . . . 0 CA--C 1.527 0.058 0 CA-C-O 120.892 0.377 . . . . 72.25 110.837 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -84.09 -50.05 8.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.478 . . . . 75.2 110.896 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 50.2 mt -58.5 -39.83 76.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 73.41 111.113 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -56.03 -54.88 39.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 72.4 110.891 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -64.85 -37.94 89.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 74.34 110.926 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.9 mmm180 -62.6 -63.36 1.25 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 73.15 110.877 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 39.8 t -50.33 -49.3 23.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 74.43 111.122 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.28 -44.32 92.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 74.41 110.882 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.7 ttmm -51.96 -53.43 41.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 74.21 110.86 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.5 mp -58.18 -54.33 33.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 74.31 111.136 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 57.0 mt -51.07 -30.44 9.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 72.21 111.143 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 97.6 t -78.7 -37.46 20.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 74.4 111.136 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -73.9 -25.49 60.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 74.31 110.918 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 -83.44 -49.15 9.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 71.42 110.909 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 63.3 mt -85.79 -62.69 1.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 74.13 110.902 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 112.11 17.73 8.16 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.754 -0.736 . . . . 71.11 112.493 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 19.7 m -106.87 -174.31 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.843 0.354 . . . . 74.24 111.127 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -80.89 124.73 29.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 75.32 110.831 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -54.89 -26.86 38.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 73.23 110.852 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.93 -54.72 34.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 72.12 111.116 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -51.93 -30.59 25.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 71.42 110.913 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 61.2 t -67.73 104.2 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 75.42 111.161 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.0 mmmt -77.53 146.63 36.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 74.34 110.929 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -70.97 -44.46 65.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 65.0 110.877 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -70.18 -25.88 63.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 75.14 110.874 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.26 165.75 23.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 64.41 111.136 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.3 t -105.68 -172.48 2.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 73.0 110.843 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -86.32 -21.73 27.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 64.31 110.878 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 17.8 m -119.35 -36.22 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 72.53 111.143 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -51.81 -66.61 0.35 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 73.55 110.906 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -91.23 -52.81 4.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 73.5 110.862 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.6 mp -51.71 -37.62 51.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 75.32 110.915 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 78.51 20.99 70.49 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.685 -0.769 . . . . 53.1 112.456 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -78.84 -175.2 4.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.835 0.35 . . . . 51.05 111.091 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -114.63 177.31 4.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 55.25 110.872 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.4 m -52.46 -30.95 32.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 74.44 110.882 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.8 tp -60.17 -42.87 95.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 74.33 110.921 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -58.29 -56.69 18.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 74.22 110.872 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 73.8 p -51.39 -55.71 17.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 75.02 111.101 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 61.5 t -54.54 -38.7 42.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 53.11 111.126 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.47 -46.1 89.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.475 . . . . 75.33 110.886 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 25.7 mt -65.29 -38.8 91.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 74.34 110.884 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 99.2 t -57.24 -58.82 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 71.22 111.128 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 18.0 ptm -57.59 -43.1 84.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 74.34 110.911 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.42 -35.33 69.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 73.42 111.068 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 57.7 mt -69.81 -53.8 16.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 64.5 110.909 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -66.78 -13.11 61.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 73.43 110.849 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -94.02 -48.62 6.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 74.13 110.877 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -81.57 -59.08 2.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.487 . . . . 73.12 110.865 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -72.9 -8.41 55.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 74.34 110.904 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.5 t70 53.62 38.4 28.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 64.44 110.863 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 58.8 p -91.46 163.8 14.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 63.42 111.129 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -94.7 84.94 4.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 73.1 110.885 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 50.4 mm -111.76 77.84 1.99 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.661 0.743 . . . . 73.35 111.122 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -170.65 0.41 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.719 2.279 . . . . 75.32 112.359 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -54.88 -49.71 70.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 71.04 110.917 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -55.37 -63.95 1.0 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 73.03 110.875 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -56.98 -23.32 45.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 73.11 110.901 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -77.69 -28.13 50.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 54.32 111.099 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -79.32 -29.58 42.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 75.42 110.87 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.9 pttt -84.97 -32.61 22.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 71.14 110.891 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 41.3 mm -91.14 81.18 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 75.1 111.121 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.2 t -123.58 12.79 9.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 73.14 111.153 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 19.2 p -135.19 155.29 50.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 75.51 111.153 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 67.2 t -54.06 -60.61 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 74.24 111.179 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -51.31 -40.89 59.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 73.31 110.892 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.07 -46.9 82.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 74.21 111.123 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.84 -56.25 14.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 74.43 111.105 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 4.5 tp -54.93 -32.95 27.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 72.41 111.13 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -69.46 -47.44 63.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 74.23 110.899 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -57.65 -61.38 2.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 75.3 110.908 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 75.2 t -53.17 -51.82 35.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.5 . . . . 54.44 111.129 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -56.71 -32.12 65.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 73.42 110.883 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 34.5 t -80.51 -26.85 37.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 63.21 110.862 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 17.4 m80 -103.51 64.28 0.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.5 . . . . 74.41 110.827 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 73.13 110.856 -179.905 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.6 p . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.858 0.361 . . . . 75.14 110.854 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -85.42 -31.96 22.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.075 -0.512 . . . . 73.31 110.872 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 6.6 mt -66.49 -48.14 81.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 72.52 111.121 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -51.19 -48.03 62.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 72.4 110.878 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -65.51 -49.38 69.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 75.11 110.89 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -55.82 -59.89 4.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 75.21 110.918 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 43.2 t -50.11 -59.57 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 70.23 111.09 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -51.66 -46.4 63.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 73.42 110.855 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -49.77 -51.89 35.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 72.31 110.882 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.3 mt -57.9 -58.68 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 74.4 111.112 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.1 mt -52.92 -30.89 16.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 74.54 111.149 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 78.1 t -80.03 -29.59 12.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 74.05 111.108 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -83.0 -20.14 35.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 74.25 110.863 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -91.02 -56.93 2.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 72.31 110.924 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.6 mp -76.63 -59.73 2.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 74.53 110.85 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 127.44 -18.71 6.04 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.739 -0.743 . . . . 71.31 112.47 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.3 m -58.9 -177.37 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.796 0.332 . . . . 71.14 111.119 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -98.31 143.9 28.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.461 . . . . 74.11 110.847 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -62.22 -17.53 58.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 75.12 110.865 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.61 -21.81 25.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 61.34 111.09 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -96.28 25.02 5.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.451 . . . . 75.53 110.93 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 9.2 p -122.69 143.35 35.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 73.31 111.086 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.9 mttm -118.66 173.22 6.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 73.42 110.94 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -92.94 -42.91 9.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 73.15 110.892 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -66.96 -23.04 65.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 71.33 110.899 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.16 177.69 1.0 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 73.43 111.072 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 42.4 t -132.44 170.47 15.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 74.24 110.811 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 11.1 m-30 -73.35 -35.42 66.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.09 -0.504 . . . . 74.24 110.834 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 89.3 t -130.36 -39.3 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 63.41 111.121 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -51.59 -30.25 20.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 71.33 110.867 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -120.42 -61.58 1.56 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 64.14 110.891 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -51.77 -39.65 58.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 75.03 110.863 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 91.7 15.34 55.02 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.719 -0.753 . . . . 73.11 112.46 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.85 -169.62 0.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.771 0.32 . . . . 72.43 111.127 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 42.7 p30 -111.5 165.17 12.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 75.43 110.877 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.0 m -52.0 -31.6 30.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 74.22 110.825 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.4 tp -58.97 -33.68 70.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.168 -0.469 . . . . 75.55 110.913 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -69.16 -46.51 67.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 72.43 110.824 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 59.7 p -63.05 -32.27 73.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 75.14 111.169 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 86.3 t -70.95 -52.69 25.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 74.23 111.114 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -59.75 -32.8 70.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 73.4 110.875 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 60.2 mt -69.72 -56.99 5.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 73.32 110.915 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 97.2 t -50.9 -42.27 23.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 73.4 111.141 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 2.4 mmm -66.88 -44.21 81.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 73.15 110.816 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.25 -30.47 66.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 73.34 111.1 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 52.9 mt -76.1 -55.37 5.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 74.21 110.906 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -61.03 -18.09 55.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 71.34 110.91 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 28.1 tp10 -95.15 -56.41 2.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 75.21 110.886 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -66.52 -57.39 7.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 61.21 110.876 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -76.54 -5.3 47.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 74.45 110.896 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.1 t0 50.66 49.19 21.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 71.22 110.869 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.2 t -108.71 134.37 51.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 70.14 111.167 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -63.04 111.96 2.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 63.41 110.864 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 43.1 mm -131.64 78.05 71.71 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.653 0.74 . . . . 72.44 111.146 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -171.21 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.615 2.21 . . . . 75.42 112.372 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -54.73 -54.09 46.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 72.43 110.873 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -51.92 -64.07 0.93 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 74.05 110.91 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -55.88 -25.35 42.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 75.12 110.869 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.56 -26.11 54.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 73.25 111.09 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -82.61 -27.75 31.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.248 -0.433 . . . . 74.13 110.907 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.1 ptmt -87.43 -32.89 19.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 72.11 110.917 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 32.0 mm -87.46 90.66 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 70.43 111.127 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.8 t -134.49 16.28 3.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.167 -0.47 . . . . 73.44 111.123 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 49.4 p -137.59 178.12 7.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 73.33 111.152 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 61.0 t -74.81 -61.53 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 74.32 111.148 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 22.9 tp60 -50.99 -39.19 55.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 74.24 110.931 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.89 -48.08 72.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 72.32 111.094 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.56 -58.81 4.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 74.55 111.119 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 1.7 tp -51.32 -37.1 17.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 74.5 111.154 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -67.26 -44.02 80.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 73.22 110.902 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -59.93 -64.85 0.8 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 72.13 110.926 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 20.3 m -51.92 -40.03 27.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 73.22 111.132 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -61.71 -45.68 92.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.168 -0.469 . . . . 73.52 110.901 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 39.6 t -70.78 -28.74 64.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 74.53 110.848 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 20.4 m80 -99.08 62.52 1.28 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 74.33 110.854 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 72.4 110.923 -179.924 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.0 m . . . . . 0 N--CA 1.458 -0.035 0 CA-C-O 120.92 0.39 . . . . 72.42 110.904 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -54.87 -56.88 14.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.067 -0.515 . . . . 72.53 110.907 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 48.4 mt -54.76 -40.46 51.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 71.14 111.128 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -53.83 -60.94 2.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.484 . . . . 65.1 110.921 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -59.27 -41.45 88.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 74.23 110.906 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -58.67 -65.57 0.64 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 73.02 110.86 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 42.0 t -48.19 -41.15 10.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 71.14 111.128 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.35 -41.34 89.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 71.45 110.874 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.9 ttmt -65.0 -36.36 84.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 73.12 110.92 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 13.6 mm -63.56 -48.89 84.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 71.0 111.144 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.2 mt -67.1 -38.79 81.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 72.24 111.143 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 94.1 t -73.34 -23.64 19.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 73.21 111.132 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -87.06 -26.12 23.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 74.13 110.897 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -89.6 -66.08 0.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 73.22 110.918 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.7 mp -57.42 -48.34 79.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 75.24 110.873 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 108.67 -15.54 34.64 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.715 -0.755 . . . . 75.3 112.473 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 33.7 m -58.28 -175.99 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.804 0.335 . . . . 72.44 111.143 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -96.11 144.24 26.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 74.4 110.86 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -63.26 -16.49 60.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 72.04 110.868 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.93 -18.54 43.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 64.34 111.079 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -99.42 43.02 1.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 74.33 110.885 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 8.1 p -131.06 153.51 39.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 71.1 111.127 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -154.83 159.53 40.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 74.53 110.89 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -80.14 -1.89 42.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 75.51 110.916 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -114.49 22.38 13.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 72.54 110.873 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.98 157.13 19.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 72.34 111.067 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.1 t -91.96 -169.96 2.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 75.35 110.865 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -103.4 -32.88 9.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 73.44 110.88 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 9.3 p -127.48 -36.25 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 73.13 111.113 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -64.31 -28.1 69.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 75.32 110.882 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -110.02 -68.73 0.91 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 72.45 110.919 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 34.8 mt -51.68 -29.95 20.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 72.15 110.909 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 78.32 18.18 76.63 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.76 -0.733 . . . . 74.33 112.486 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.36 -169.66 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.78 0.324 . . . . 74.54 111.086 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -131.23 177.32 7.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 71.33 110.853 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.1 m -51.84 -34.31 39.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 75.14 110.822 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.4 tp -64.46 -43.11 95.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 75.25 110.915 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -63.27 -53.82 46.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 74.34 110.863 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -51.76 -55.28 20.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 74.53 111.156 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 57.3 t -56.12 -44.44 78.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 74.13 111.133 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.51 -39.79 73.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 74.24 110.864 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 37.4 mt -66.03 -50.09 65.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 74.04 110.893 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 96.7 t -51.38 -56.1 6.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 71.2 111.125 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 21.7 ptp -59.8 -37.31 78.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 75.05 110.865 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.65 -33.56 72.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 74.31 111.109 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 95.3 mt -75.27 -57.35 3.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 72.23 110.923 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -59.47 -19.57 48.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 71.41 110.914 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -93.14 -59.71 1.97 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 75.1 110.892 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -64.18 -59.38 4.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 75.14 110.911 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -74.14 -7.53 52.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 73.02 110.876 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 59.15 35.2 23.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.12 -0.491 . . . . 72.41 110.827 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 31.6 p -92.52 176.22 6.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 73.35 111.102 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -112.98 84.59 2.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 74.22 110.9 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 50.8 mt -110.35 82.48 2.73 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.634 0.731 . . . . 74.4 111.137 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 -170.42 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.638 2.226 . . . . 74.35 112.339 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -65.5 -37.65 87.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 72.45 110.838 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -61.12 -51.76 67.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 74.3 110.868 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.64 -28.99 62.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 70.01 110.874 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.12 -44.51 97.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 73.11 111.103 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.73 -21.93 43.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 75.4 110.933 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.8 mtmt -84.74 -50.11 7.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 73.14 110.904 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 43.7 mm -63.93 92.77 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 74.22 111.123 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.9 t -138.64 15.5 2.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 74.33 111.131 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 70.9 p -150.39 153.12 35.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.242 -0.435 . . . . 75.21 111.165 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 30.0 t -53.51 -49.28 55.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 71.2 111.139 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.09 -46.25 91.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 74.13 110.895 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.24 -38.57 89.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 64.12 111.084 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -71.89 -57.99 3.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 75.51 111.121 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 2.4 tp -53.78 -30.6 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 71.41 111.178 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -73.4 -53.45 10.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 63.05 110.812 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -51.81 -53.83 35.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 74.22 110.932 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 66.5 t -60.84 -52.94 55.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 71.32 111.163 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -55.21 -26.66 40.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 70.51 110.924 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.7 t -88.91 -26.99 21.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 73.33 110.876 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 21.7 m80 -96.36 56.68 1.6 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.5 . . . . 75.52 110.849 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 74.24 110.888 -179.931 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.8 p . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.864 0.364 . . . . 75.44 110.862 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -69.9 -46.93 64.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 74.34 110.881 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 63.5 mt -52.17 -53.35 19.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 75.42 111.132 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -52.21 -59.24 4.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 73.3 110.913 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -53.57 -47.04 70.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.49 . . . . 73.12 110.866 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -57.81 -52.05 67.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 73.25 110.9 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 98.7 t -48.47 -56.82 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 73.44 111.103 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 62.3 mmtt -52.26 -48.96 64.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 75.54 110.89 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.1 ttmt -51.59 -54.37 28.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 75.43 110.932 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.9 mt -51.44 -60.45 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 73.53 111.119 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.1 mt -51.83 -29.06 10.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 71.23 111.143 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 78.6 t -79.35 -33.23 15.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 72.22 111.115 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -80.01 -29.24 39.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 72.14 110.884 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -80.6 -51.75 8.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 75.44 110.935 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 65.8 mt -81.53 -51.79 7.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 74.43 110.88 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.09 -16.87 27.38 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.76 -0.733 . . . . 63.2 112.523 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 18.7 m -70.33 -175.02 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.773 0.32 . . . . 55.31 111.143 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -93.59 137.1 33.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 74.12 110.863 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -54.17 -35.84 62.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 74.22 110.9 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.47 -58.76 5.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 73.2 111.071 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -53.04 -39.6 63.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 71.25 110.847 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 62.0 t -66.69 114.1 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 73.44 111.128 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.7 mtmm -92.24 151.24 20.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 75.54 110.843 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -67.99 -31.2 70.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 71.5 110.907 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -96.32 28.21 3.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 71.02 110.911 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -115.01 139.6 49.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 75.13 111.084 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.5 t -83.44 162.49 20.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 73.3 110.903 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -75.77 -17.3 59.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 75.44 110.875 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 25.1 t -123.7 -46.77 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 74.44 111.186 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -57.47 -67.65 0.31 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 70.1 110.889 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -76.23 -63.16 1.39 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 74.01 110.855 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.8 mp -51.74 -74.85 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 71.15 110.929 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 119.89 32.32 1.2 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.755 -0.736 . . . . 72.25 112.44 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -97.91 172.25 7.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.834 0.35 . . . . 72.05 111.077 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -93.88 177.7 5.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 63.43 110.869 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.0 m -52.31 -39.25 60.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 63.11 110.839 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.63 -32.66 30.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 70.34 110.922 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -66.45 -56.26 11.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 70.32 110.854 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 82.8 p -51.71 -56.14 15.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 74.11 111.139 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.7 p -56.2 -38.83 56.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 72.44 111.12 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -57.72 -48.96 78.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 75.44 110.888 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 24.1 mt -60.43 -48.17 82.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 74.34 110.889 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 99.8 t -50.49 -49.73 23.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 72.11 111.103 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 44.4 mtp -59.29 -48.87 80.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 75.24 110.914 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.82 -32.0 59.88 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.236 -0.438 . . . . 75.33 111.072 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.8 mt -72.46 -46.3 55.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 73.34 110.963 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -78.46 -5.47 52.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 73.02 110.848 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -107.02 -24.68 11.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 73.03 110.921 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -108.29 -50.02 3.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 64.21 110.876 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -86.49 -1.29 57.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 74.12 110.861 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.5 t70 51.75 30.18 6.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.129 -0.487 . . . . 73.53 110.897 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.5 t -94.63 122.07 36.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 72.21 111.1 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -64.29 118.55 8.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 63.1 110.867 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 48.1 mt -137.92 82.36 25.81 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.612 0.72 . . . . 64.42 111.14 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -169.31 0.32 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.649 2.233 . . . . 73.54 112.352 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -67.23 -35.37 79.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 73.21 110.832 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -65.52 -44.27 87.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 73.04 110.912 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -80.84 -22.61 39.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.485 . . . . 74.41 110.908 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.94 -46.54 65.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 74.3 111.056 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -52.12 -29.59 22.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.286 -0.415 . . . . 73.11 110.878 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.7 mttp -73.65 -48.6 31.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 75.41 110.86 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 50.3 mm -62.66 112.82 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.277 -0.419 . . . . 74.43 111.131 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 31.9 p -129.95 -38.47 1.45 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 74.42 111.175 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 17.9 p -116.94 170.99 8.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 74.42 111.161 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 23.8 t -57.43 -49.82 79.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 73.21 111.152 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.7 tp60 -51.18 -42.79 61.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 64.31 110.876 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.83 -44.0 97.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 63.43 111.08 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.0 -58.35 4.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 73.41 111.104 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 3.3 tp -52.13 -33.44 16.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 74.1 111.122 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -70.91 -46.74 61.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 72.11 110.846 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -55.54 -55.58 30.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 75.11 110.929 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 23.9 m -62.54 -38.43 81.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.487 . . . . 65.35 111.105 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -66.22 -24.67 66.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 64.31 110.908 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.6 t -93.89 -27.73 16.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 72.44 110.858 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 9.8 m80 -89.42 58.91 4.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 64.2 110.91 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 72.12 110.9 -179.891 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.5 p . . . . . 0 N--CA 1.458 -0.043 0 CA-C-O 120.879 0.371 . . . . 61.33 110.868 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -59.75 -58.21 9.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.096 -0.502 . . . . 72.41 110.907 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 60.6 mt -51.87 -38.91 23.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 75.21 111.155 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -59.46 -71.7 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 75.04 110.891 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -50.04 -31.49 13.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.13 -0.486 . . . . 72.43 110.862 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -68.1 -60.79 2.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 74.42 110.857 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 94.2 t -48.31 -36.32 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 71.54 111.159 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 38.3 mmtm -67.63 -55.24 14.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 74.3 110.905 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.8 ptmt -50.98 -32.71 21.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 72.55 110.925 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.4 mt -76.16 -59.88 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 74.33 111.135 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 66.3 mt -55.39 -24.6 15.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 65.22 111.097 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 74.6 t -85.74 -40.67 14.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 74.12 111.141 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -73.07 -18.24 61.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 75.01 110.898 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -96.81 -51.77 4.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 72.21 110.897 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 46.8 mt -78.58 -50.28 11.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 71.23 110.879 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 109.8 -22.91 22.93 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.787 -0.72 . . . . 74.22 112.505 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 20.3 m -64.56 -178.93 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.812 0.339 . . . . 71.41 111.121 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -90.17 132.16 35.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 74.11 110.865 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -52.13 -31.02 29.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 70.1 110.889 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.28 -58.69 4.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 65.5 111.107 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -53.92 -27.88 33.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 74.01 110.878 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 66.7 t -67.11 89.6 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 74.35 111.132 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -59.73 131.16 50.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 71.42 110.905 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -61.72 -42.92 99.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.452 . . . . 74.23 110.881 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -69.28 -23.96 63.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 65.11 110.869 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.89 166.58 21.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 75.31 111.146 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.5 t -107.45 -175.79 2.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.243 -0.435 . . . . 63.21 110.88 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -80.48 -33.22 36.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 75.44 110.923 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 63.9 t -126.19 -39.48 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 74.45 111.137 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -52.48 -29.46 24.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 64.21 110.866 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -118.14 -66.12 1.11 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 62.43 110.874 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.1 mp -51.79 -37.49 51.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 71.42 110.906 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 89.99 15.91 56.96 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.699 -0.762 . . . . 74.23 112.485 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.42 -169.49 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.816 0.341 . . . . 62.34 111.075 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -109.98 -176.55 3.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 72.13 110.822 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.6 t -65.59 -45.33 83.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 71.33 110.827 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.2 tp -51.78 -39.72 59.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.481 . . . . 73.44 110.896 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -55.75 -60.42 3.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.236 -0.438 . . . . 63.2 110.85 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 82.1 p -51.46 -53.76 33.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 71.24 111.14 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 77.6 t -54.45 -45.37 70.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 75.32 111.141 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -53.93 -46.52 71.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 74.03 110.881 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 44.1 mt -60.51 -49.33 78.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 63.11 110.907 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 98.6 t -49.69 -50.25 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 73.3 111.14 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 67.1 mtp -59.87 -45.67 91.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 75.42 110.889 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.69 -33.16 63.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 74.43 111.142 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 83.4 mt -72.07 -50.3 29.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 71.2 110.874 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -73.25 -7.4 51.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 62.4 110.862 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 55.1 tt0 -101.13 -43.52 5.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 72.41 110.879 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -88.85 -50.99 5.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 74.32 110.912 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -85.67 -6.81 59.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 72.04 110.875 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 51.14 37.8 19.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 74.32 110.82 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 43.5 p -86.87 141.24 28.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 62.2 111.15 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -74.76 85.86 2.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 72.45 110.903 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 49.0 mm -110.19 80.23 1.82 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.628 0.728 . . . . 72.12 111.143 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -167.32 0.22 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.662 2.241 . . . . 71.12 112.361 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -63.48 -53.15 56.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 65.14 110.876 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -52.05 -48.1 64.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 73.52 110.939 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -73.02 -24.37 60.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 72.5 110.893 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.32 -24.35 59.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 74.42 111.084 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 -82.38 -29.88 30.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 73.3 110.88 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.6 ptmm? -86.64 -33.38 20.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 75.24 110.897 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 33.2 mm -89.75 77.53 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 75.02 111.125 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.3 t -124.32 13.22 8.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 74.44 111.142 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 15.4 p -132.85 153.2 51.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 71.12 111.17 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 60.5 t -51.41 -60.7 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 74.05 111.172 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -51.84 -42.81 62.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 63.44 110.93 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.33 -45.4 93.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 40.03 111.101 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.94 -58.04 5.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 74.13 111.108 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 3.1 tp -53.73 -32.87 22.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 73.44 111.143 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -70.06 -50.53 40.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 72.51 110.859 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -54.3 -61.01 2.58 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.233 -0.439 . . . . 72.34 110.917 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 39.3 t -53.91 -51.19 47.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.501 . . . . 74.01 111.106 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -52.31 -35.73 51.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 63.22 110.887 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.6 t -80.42 -28.88 37.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 61.14 110.871 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 23.2 m80 -100.85 51.35 0.86 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 72.22 110.886 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.468 . . . . 74.23 110.903 -179.926 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.3 p . . . . . 0 N--CA 1.458 -0.051 0 CA-C-O 120.892 0.377 . . . . 72.32 110.884 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -55.63 -58.51 7.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 71.21 110.898 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 6.8 mt -54.15 -42.2 54.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 72.52 111.077 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -50.8 -54.05 26.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 71.31 110.844 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.9 tp10 -64.1 -32.39 73.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 73.52 110.873 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.55 -66.14 0.59 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 74.51 110.891 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.6 p -49.58 -43.43 18.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 73.32 111.103 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -62.28 -49.06 77.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 75.31 110.88 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -50.92 -48.18 60.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 75.1 110.906 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.0 mt -61.84 -58.39 7.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 72.33 111.111 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.4 mt -51.35 -30.97 11.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 74.22 111.144 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 81.2 t -80.57 -32.61 13.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 74.43 111.113 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -80.3 -18.93 47.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 72.33 110.872 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.3 mm100 -93.27 -58.48 2.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 65.02 110.943 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.6 mp -76.48 -49.03 17.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 74.54 110.871 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 109.36 -20.69 27.62 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.731 -0.747 . . . . 61.31 112.458 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 29.3 m -54.87 172.47 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.875 0.369 . . . . 72.21 111.1 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -83.1 130.09 35.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 65.04 110.836 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -51.97 -30.14 23.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 54.52 110.912 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.75 -58.84 4.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 60.2 111.094 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -54.77 -27.18 39.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 73.51 110.873 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 65.7 t -69.45 87.75 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 72.43 111.113 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -69.79 145.83 51.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 71.33 110.859 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -66.43 -38.31 87.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.463 . . . . 63.31 110.875 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -90.81 52.62 2.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 71.52 110.885 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.85 139.12 30.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 70.33 111.092 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.3 m -80.11 162.75 24.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 43.34 110.882 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -72.57 -23.49 60.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 74.25 110.892 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 60.3 t -127.15 -49.06 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 75.25 111.162 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -53.36 -28.58 29.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 74.31 110.917 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -110.49 -71.26 0.77 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 73.41 110.876 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 30.6 mt -53.9 -61.6 2.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 72.33 110.959 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 120.55 21.97 3.19 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.702 -0.761 . . . . 70.13 112.441 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -72.59 -174.54 1.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.761 0.315 . . . . 74.31 111.076 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -114.46 175.3 5.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 74.2 110.83 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 26.3 t -52.16 -42.76 63.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 60.32 110.832 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.7 tp -56.4 -32.0 64.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 73.24 110.904 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -66.68 -55.62 14.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 72.14 110.843 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 34.6 p -53.05 -54.67 31.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 60.31 111.094 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 27.7 m -57.47 -37.28 56.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 72.24 111.139 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -58.8 -48.38 81.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 72.14 110.852 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 26.9 mt -62.37 -46.16 89.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.45 . . . . 74.23 110.958 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 97.2 t -51.32 -49.29 31.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 74.24 111.089 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.6 mmt -62.42 -45.58 92.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 75.3 110.851 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.37 -29.3 63.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 70.52 111.115 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 77.9 mt -75.59 -55.59 5.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.457 . . . . 73.13 110.958 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -61.82 -17.32 55.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 72.43 110.831 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.5 tm-20 -95.28 -57.09 2.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 74.32 110.903 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -66.86 -55.81 13.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 73.1 110.855 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -79.32 -2.23 40.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 74.23 110.903 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 51.88 39.87 26.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 75.33 110.884 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 38.6 p -96.22 166.02 11.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 74.35 111.123 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -103.38 84.97 2.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 74.4 110.903 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 50.5 mm -111.4 79.48 2.25 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.61 0.719 . . . . 74.31 111.144 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -170.35 0.39 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.706 2.271 . . . . 72.3 112.311 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -54.52 -45.08 73.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 72.11 110.864 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -56.81 -63.98 1.03 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 75.13 110.844 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.12 -18.23 56.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 74.13 110.889 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.38 -31.57 48.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 74.32 111.085 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -75.09 -31.99 61.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 72.41 110.88 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.3 ptmt -82.8 -32.08 27.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 74.45 110.838 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 40.5 mm -92.78 82.62 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 74.21 111.1 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.0 t -125.18 21.19 8.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 72.33 111.135 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 33.9 p -147.68 153.79 39.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 62.45 111.184 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 97.7 t -51.68 -60.56 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.439 . . . . 73.43 111.15 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -51.22 -40.36 58.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 75.31 110.905 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.1 -48.08 77.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 61.45 111.096 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.88 -56.48 15.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 72.42 111.077 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 5.4 tp -54.58 -32.86 25.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 75.41 111.127 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -69.19 -45.97 68.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.446 . . . . 75.14 110.795 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -59.6 -61.6 2.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 74.21 110.935 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 60.8 t -52.58 -50.26 41.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 65.42 111.143 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -58.08 -32.98 68.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 75.44 110.916 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 29.0 t -77.75 -32.44 52.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 74.14 110.89 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 13.0 m80 -99.79 33.58 2.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 75.11 110.875 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 74.03 110.972 -179.976 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 p . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.853 0.359 . . . . 63.35 110.867 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -68.47 -56.75 7.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.479 . . . . 72.22 110.908 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 97.1 mt -51.57 -52.08 22.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 74.33 111.167 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -50.91 -53.28 34.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 62.33 110.906 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -58.83 -54.59 45.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 74.11 110.908 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.8 mtp85 -51.52 -53.84 33.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 63.11 110.855 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 95.1 t -48.65 -58.63 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 73.34 111.114 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 39.0 mmtm -51.13 -47.21 62.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 74.42 110.889 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.7 ttpt -51.89 -56.14 15.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 70.43 110.889 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.0 mt -50.68 -56.58 4.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.454 . . . . 74.33 111.108 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.1 mt -54.82 -28.26 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 65.13 111.123 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 79.4 t -82.16 -24.93 9.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 74.21 111.136 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -91.53 -15.83 28.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 73.2 110.883 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -96.26 -53.54 3.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 72.2 110.922 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -83.87 -36.98 23.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.236 -0.438 . . . . 74.13 110.886 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.09 -18.92 55.81 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.742 . . . . 72.31 112.496 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 20.4 m -58.8 178.65 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.837 0.351 . . . . 71.24 111.122 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -83.41 139.34 33.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 75.3 110.909 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -63.37 -24.84 68.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 71.34 110.878 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.92 -63.24 1.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 71.1 111.134 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -52.08 -29.89 23.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 73.41 110.902 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 90.4 t -69.94 101.13 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 65.14 111.159 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 52.6 mttt -98.59 173.27 7.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 71.01 110.904 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -95.33 14.0 23.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 52.44 110.891 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -123.16 23.75 9.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 75.13 110.897 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -124.52 -175.02 3.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 72.43 111.124 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.4 m -128.59 -169.8 2.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 75.34 110.846 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -100.65 -40.92 7.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 73.43 110.915 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.6 p -122.93 -34.74 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 71.14 111.126 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -60.52 -26.15 66.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 62.55 110.876 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -123.11 -65.77 1.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 64.13 110.898 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -51.83 -36.84 49.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 74.52 110.965 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.32 18.56 57.07 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.726 -0.749 . . . . 65.14 112.462 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.95 -169.55 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.807 0.337 . . . . 75.4 111.076 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -108.42 -176.96 3.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 72.43 110.888 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.6 t -66.44 -38.03 86.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 75.33 110.888 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.9 tp -56.65 -35.2 68.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 74.41 110.953 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -61.99 -59.63 4.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 45.42 110.907 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 19.0 p -51.45 -53.06 40.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 63.34 111.153 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 57.7 t -57.67 -35.62 51.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 70.32 111.139 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -61.27 -49.87 75.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 75.25 110.93 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 23.0 mt -62.99 -46.3 88.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.096 -0.502 . . . . 74.41 110.905 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 91.2 t -51.2 -50.88 24.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 74.21 111.089 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 16.1 mtp -60.42 -49.37 77.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 73.53 110.878 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.43 -29.17 48.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 63.4 111.049 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.8 mt -75.66 -49.31 18.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 74.44 110.942 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -73.81 -7.02 50.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 73.51 110.86 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -104.6 -42.26 5.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 74.1 110.867 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -87.13 -45.72 10.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 75.54 110.875 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -94.52 -1.58 53.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 74.22 110.851 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 50.95 30.78 5.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 62.1 110.877 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.0 t -91.36 120.03 31.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 73.12 111.142 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -59.4 134.94 57.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.43 . . . . 75.2 110.879 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 32.6 mm -144.49 81.99 10.79 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.577 0.703 . . . . 71.3 111.15 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -165.84 0.17 Allowed 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.627 2.218 . . . . 71.54 112.376 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -69.72 -52.15 28.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 75.32 110.903 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -54.39 -32.4 57.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 75.23 110.914 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -89.59 -24.93 21.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 73.42 110.941 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.18 -25.58 61.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 73.1 111.139 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -80.25 -34.51 37.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 72.0 110.864 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.7 pttp -81.3 -32.84 32.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 74.41 110.895 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 48.6 mm -89.83 95.05 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 74.43 111.192 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 80.7 p -141.17 20.45 2.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 73.15 111.145 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 17.7 p -144.84 167.8 21.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.182 -0.463 . . . . 74.44 111.118 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 67.8 t -61.45 -60.5 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 72.0 111.162 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 8.2 tp60 -50.7 -45.04 58.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 64.32 110.893 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.61 -42.9 97.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 73.31 111.107 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.02 -59.61 2.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 74.44 111.153 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 5.4 tp -52.36 -34.64 18.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 73.34 111.114 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -69.95 -46.01 66.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.45 . . . . 74.33 110.848 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -56.74 -59.02 5.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 75.01 110.926 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 21.3 m -58.96 -39.1 77.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 73.1 111.121 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -58.67 -38.82 79.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 73.43 110.893 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 65.0 p -81.39 -26.38 35.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 72.31 110.875 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 17.4 m80 -97.83 60.94 1.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 74.42 110.826 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 71.31 110.927 -179.937 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.4 t . . . . . 0 C--O 1.23 0.045 0 CA-C-O 120.895 0.379 . . . . 74.2 110.85 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -63.02 -50.78 69.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 72.12 110.882 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 55.7 mt -51.33 -52.54 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 74.3 111.135 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -50.56 -54.75 20.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 74.31 110.907 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -58.76 -50.35 74.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 73.23 110.876 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -54.96 -62.92 1.34 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 74.44 110.898 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 45.3 t -45.71 -55.14 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 71.24 111.157 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.4 mmtp -50.2 -39.14 43.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 74.32 110.85 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.5 ttmt -66.36 -36.2 82.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 71.43 110.938 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 9.6 mm -63.11 -50.19 80.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 72.11 111.118 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.6 mp -64.21 -37.62 80.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 74.54 111.117 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 98.8 t -74.69 -23.63 17.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 64.05 111.132 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -89.29 -25.62 21.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 74.52 110.887 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -91.33 -65.1 1.04 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 73.02 110.913 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 58.2 mt -61.02 -49.17 78.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.464 . . . . 63.11 110.897 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.58 19.26 20.89 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.732 -0.747 . . . . 71.25 112.485 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 26.8 m -107.31 -178.7 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.835 0.35 . . . . 73.4 111.104 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -88.7 141.19 28.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 64.24 110.844 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -52.17 -31.91 33.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 72.11 110.902 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.59 -30.09 19.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 74.21 111.098 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -68.48 -41.32 80.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 74.01 110.912 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 57.5 t -65.55 100.7 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 74.53 111.141 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.6 mttp -92.93 -0.14 57.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 71.23 110.894 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 20.8 m120 59.25 19.53 7.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 72.11 110.838 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -129.92 7.78 5.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 74.2 110.881 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -127.41 -177.17 3.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 71.45 111.054 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.3 m -112.75 -177.56 3.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 71.02 110.837 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -84.14 -33.64 24.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 73.44 110.861 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 9.1 p -121.63 -33.83 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 73.01 111.165 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -63.39 -22.98 67.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 75.35 110.877 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -120.12 -74.01 0.63 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 74.41 110.894 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 44.1 mt -51.54 -33.89 34.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 63.32 110.875 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 85.52 21.09 55.16 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.723 -0.751 . . . . 73.44 112.496 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.72 -169.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.823 0.344 . . . . 62.51 111.085 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -113.48 -179.23 3.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 75.12 110.876 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 40.7 m -63.42 -38.08 89.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 64.02 110.862 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.0 tp -57.99 -34.92 70.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 70.25 110.941 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -66.71 -59.31 3.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 60.54 110.895 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 41.0 p -51.71 -52.87 45.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 72.42 111.15 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 58.1 t -58.37 -38.96 72.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 71.41 111.151 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -58.01 -46.47 85.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 74.14 110.892 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 30.6 mt -62.69 -49.41 75.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 75.14 110.923 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 98.0 t -51.24 -50.49 26.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 74.34 111.143 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.09 -41.07 95.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 74.14 110.903 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.63 -33.17 71.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 74.35 111.103 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 75.9 mt -72.84 -56.33 5.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 74.24 110.93 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.42 -12.98 57.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 73.11 110.918 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -94.37 -52.98 4.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 74.31 110.926 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.56 -57.25 3.96 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.17 -0.468 . . . . 73.11 110.905 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -75.18 -5.94 47.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 74.3 110.863 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 52.09 37.51 21.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 75.43 110.82 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 50.9 p -87.93 165.27 15.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 71.02 111.152 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -98.44 85.17 3.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 75.54 110.909 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 51.4 mm -111.62 77.8 1.89 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.6 0.714 . . . . 74.12 111.146 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -170.15 0.37 Allowed 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.732 2.288 . . . . 71.35 112.343 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -53.74 -48.98 69.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 73.33 110.883 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 82.0 mt-10 -54.42 -66.84 0.33 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 74.02 110.904 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -55.28 -25.65 35.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 74.3 110.85 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.31 -28.48 61.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 71.2 111.102 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -79.01 -33.98 44.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 74.33 110.892 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -81.06 -32.65 33.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 75.54 110.908 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 30.6 mm -90.06 85.23 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 64.43 111.167 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.0 t -128.07 19.75 6.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 63.35 111.175 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 16.9 p -139.74 175.87 9.21 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.185 -0.462 . . . . 73.45 111.129 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 16.4 t -73.19 -63.33 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 65.13 111.126 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -50.81 -39.19 52.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 60.53 110.863 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.02 -43.83 94.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 73.04 111.104 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.91 -57.23 5.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 73.15 111.107 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 6.5 tp -53.91 -33.89 24.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 75.41 111.11 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -69.52 -50.22 47.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 63.51 110.877 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -54.11 -62.42 1.67 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 73.24 110.877 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 85.2 t -52.69 -50.57 40.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.49 . . . . 74.1 111.179 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -58.62 -26.5 63.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 71.24 110.855 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.9 t -83.88 -35.62 23.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 61.01 110.87 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 17.1 m80 -96.95 54.59 1.27 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.082 -0.508 . . . . 63.35 110.856 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 71.13 110.949 -179.956 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 m . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.869 0.366 . . . . 72.45 110.826 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -61.4 -55.04 35.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 71.54 110.873 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 31.5 mt -51.59 -43.37 32.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 74.31 111.175 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -52.13 -58.46 6.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.463 . . . . 74.5 110.926 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 23.2 tp10 -60.03 -41.75 92.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 74.31 110.881 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.9 mmp_? -59.35 -65.89 0.6 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 73.24 110.876 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 39.9 t -45.79 -47.5 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 70.23 111.139 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -51.67 -52.77 45.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 73.53 110.886 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.3 ttmm -54.04 -38.64 65.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.424 . . . . 72.53 110.901 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 11.8 mm -59.62 -64.32 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 74.33 111.127 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.3 mp -51.32 -28.82 8.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 74.31 111.104 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 78.4 t -72.78 -54.53 15.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 75.23 111.133 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -60.29 -24.78 65.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 72.34 110.88 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.0 mm100 -82.84 -48.42 10.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 74.23 110.954 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.9 mp -89.17 -75.46 0.44 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 73.41 110.931 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 137.4 -17.04 3.56 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.738 -0.744 . . . . 52.43 112.489 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 22.7 m -60.11 -179.15 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.835 0.35 . . . . 74.03 111.125 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.55 127.76 34.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 71.33 110.863 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.41 -29.92 26.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 74.15 110.888 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.74 -45.9 84.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 75.22 111.111 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -60.85 -29.98 69.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 74.43 110.892 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 24.5 t -66.84 118.4 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 65.32 111.13 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.9 mtmt -104.25 165.97 10.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 75.55 110.887 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -77.04 -26.86 54.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 73.4 110.871 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -95.75 25.53 4.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 74.25 110.856 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.63 156.56 16.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 70.23 111.098 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.3 t -91.29 -169.61 2.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 70.21 110.864 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.3 m-30 -108.0 -22.59 12.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 74.04 110.867 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 19.1 m -135.13 -39.73 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.472 . . . . 73.33 111.128 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -64.58 -27.14 68.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 62.23 110.902 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -109.55 -44.2 3.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 72.44 110.862 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 14.7 mt -77.0 -4.37 43.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 74.12 110.945 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 61.75 15.8 49.24 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.684 -0.77 . . . . 71.04 112.506 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -80.98 -170.69 2.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.821 0.343 . . . . 74.43 111.077 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -135.13 -77.78 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 74.44 110.849 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.8 m -133.1 -40.76 0.91 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 74.24 110.88 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.2 pp -51.64 -31.15 24.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 74.31 110.931 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -69.16 -65.52 0.7 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 71.52 110.886 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 42.4 p -49.29 -40.94 36.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 71.34 111.109 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 79.3 t -61.99 -50.06 81.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 74.25 111.102 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.05 -38.28 90.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 74.23 110.855 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 57.6 mt -67.64 -59.23 3.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.184 -0.462 . . . . 74.41 110.931 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 89.3 t -50.42 -43.55 22.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 74.43 111.142 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 7.9 mtt -70.57 -41.37 72.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 75.31 110.868 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.54 -25.57 66.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 72.12 111.107 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 84.3 mt -83.9 -55.69 4.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 72.22 110.915 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -59.41 -20.49 55.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 73.23 110.888 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 -92.5 -56.83 2.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 74.33 110.917 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 25.8 tp10 -66.55 -61.62 1.89 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 75.31 110.951 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -70.5 -10.92 60.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 74.3 110.885 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 59.46 41.2 19.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 75.25 110.836 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 76.0 p -99.17 166.91 11.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 75.41 111.087 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -101.63 85.57 2.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 74.51 110.879 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 48.1 mm -111.33 79.07 2.04 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.616 0.722 . . . . 73.3 111.146 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -170.91 0.42 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.71 2.274 . . . . 71.44 112.327 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -54.57 -47.12 73.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 72.1 110.851 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -55.38 -63.91 1.01 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 74.01 110.87 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -60.59 -19.12 56.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 73.35 110.874 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.28 -29.12 47.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 75.25 111.101 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -78.76 -34.74 45.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 73.52 110.886 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.1 pttt -76.39 -36.03 58.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 74.32 110.904 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 38.6 mm -84.18 82.83 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 73.51 111.145 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 44.0 p -124.49 21.97 8.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 64.35 111.127 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 40.1 p -152.15 151.8 31.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 75.03 111.085 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 42.3 t -51.26 -58.25 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 75.04 111.119 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.26 -44.94 61.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 75.11 110.884 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.11 -47.59 85.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 71.45 111.149 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.76 -59.33 4.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 74.2 111.119 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 2.7 tp -53.12 -32.37 18.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 74.42 111.078 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -70.48 -41.47 72.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 64.5 110.869 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -61.38 -57.73 11.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 73.01 110.927 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 58.2 t -59.59 -37.87 72.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 73.14 111.1 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -75.05 -18.53 60.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 63.45 110.867 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 46.9 t -92.81 -22.68 19.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 73.12 110.866 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 5.5 m80 -97.23 -39.05 9.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 75.31 110.86 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 72.31 110.91 -179.934 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 N--CA 1.458 -0.056 0 CA-C-O 120.873 0.368 . . . . 71.24 110.885 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -71.53 -55.84 7.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 75.14 110.921 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 24.4 mt -52.39 -44.9 44.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 74.22 111.117 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -50.85 -63.91 0.98 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 70.14 110.888 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -56.64 -37.03 70.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 73.22 110.938 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.6 tpp180 -60.02 -67.14 0.42 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 71.42 110.827 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 39.8 t -48.85 -55.31 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 74.04 111.129 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 37.7 mmtm -50.59 -39.49 49.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 62.44 110.923 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.3 ttpt -61.03 -50.45 73.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 73.21 110.9 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.8 mp -61.05 -46.23 97.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 71.31 111.154 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 50.1 mt -60.21 -32.84 51.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 74.14 111.164 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 92.6 t -84.09 -24.42 7.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 75.42 111.112 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -87.5 -17.39 32.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 72.3 110.873 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -98.29 -47.49 5.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 75.32 110.919 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 58.1 mt -87.97 -43.24 11.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 74.13 110.952 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.3 -17.67 43.38 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.743 -0.742 . . . . 74.44 112.469 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 18.4 m -60.62 -173.33 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.817 0.341 . . . . 73.44 111.139 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -98.62 144.08 28.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 74.35 110.847 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -70.27 -10.84 60.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 73.15 110.894 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.16 -37.41 18.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 61.14 111.116 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -76.65 -36.08 57.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 73.22 110.964 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 9.7 p -62.98 136.51 25.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.093 -0.503 . . . . 71.21 111.145 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 68.6 mmtt -103.98 -174.82 2.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 72.02 110.908 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -109.68 -43.55 4.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 75.43 110.883 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -66.79 -34.1 77.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 74.33 110.91 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.3 162.0 18.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 75.4 111.092 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.1 m -104.82 -179.34 3.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 73.23 110.872 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -76.91 -25.68 53.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 71.42 110.902 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.7 m -127.71 -39.35 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 74.21 111.159 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -51.8 -34.38 39.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 71.44 110.868 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -117.79 -60.58 1.79 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 74.14 110.829 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.3 mp -54.91 -26.57 36.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 70.05 110.891 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 70.07 22.52 77.27 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.75 -0.738 . . . . 71.12 112.499 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.55 -170.02 0.37 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.789 0.328 . . . . 64.34 111.116 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -113.47 170.18 8.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 72.34 110.834 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -52.98 -33.71 52.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 73.34 110.866 -179.763 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.3 tp -59.28 -40.13 85.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 63.42 110.936 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -60.65 -56.8 16.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 74.04 110.869 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 62.6 p -51.17 -53.31 35.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 75.12 111.155 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 48.1 t -55.48 -38.44 49.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.229 -0.441 . . . . 74.25 111.114 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -60.85 -46.26 91.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 71.25 110.898 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 32.1 mt -65.71 -47.74 74.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 72.43 110.916 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 61.2 t -51.07 -48.39 30.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 63.32 111.102 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.03 -50.81 69.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 71.3 110.892 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.95 -25.9 32.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 54.35 111.1 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 65.2 mt -78.07 -52.59 8.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 73.33 110.904 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.28 -12.97 61.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 73.23 110.845 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -99.05 -48.62 4.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 74.14 110.893 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -77.56 -54.7 6.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 74.03 110.865 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -80.82 -4.95 56.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 74.44 110.939 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 50.86 41.56 26.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 64.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.7 t -101.74 129.13 47.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 75.21 111.167 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -62.66 115.51 4.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 75.21 110.861 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 38.7 mm -134.49 78.19 57.39 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.612 0.72 . . . . 71.42 111.151 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -176.3 1.46 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.684 2.256 . . . . 73.3 112.334 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -52.72 -49.1 66.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 75.34 110.884 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -53.48 -68.39 0.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 75.32 110.863 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -54.83 -26.17 33.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 64.31 110.844 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.23 -29.04 63.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 72.23 111.102 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -77.68 -34.05 53.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 74.23 110.894 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.9 ptmt -82.83 -32.78 27.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 74.02 110.883 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 38.7 mm -89.85 85.82 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 75.52 111.173 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 39.8 p -129.71 23.21 5.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 74.31 111.169 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 19.3 p -141.6 171.69 13.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.186 -0.461 . . . . 72.31 111.126 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 92.3 t -70.26 -62.44 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.259 -0.428 . . . . 73.2 111.155 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -50.08 -39.01 41.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 73.43 110.899 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.95 -47.97 72.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 73.23 111.122 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.52 -55.03 27.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 74.11 111.053 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 1.2 tp -55.6 -35.85 40.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 65.22 111.136 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -69.05 -37.68 78.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 50.22 110.865 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -64.96 -62.93 1.26 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 64.25 110.946 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 17.0 m -54.34 -41.71 54.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 75.23 111.08 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -68.5 -28.62 67.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 53.2 110.911 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.1 t -81.08 -32.86 33.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 63.34 110.857 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 8.3 m80 -92.77 60.1 3.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 75.11 110.832 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 70.45 110.9 -179.915 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.3 p . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.845 0.355 . . . . 65.01 110.837 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -57.74 -57.95 10.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 65.2 110.9 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 44.1 mt -57.09 -36.77 52.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 74.11 111.125 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -55.92 -54.95 38.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 75.43 110.843 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 49.9 tt0 -62.98 -36.21 82.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 74.3 110.862 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.6 mtp85 -65.08 -63.52 1.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 75.54 110.895 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 38.3 t -49.87 -57.55 2.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 73.14 111.138 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.2 mmtp -50.55 -47.92 57.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 74.35 110.9 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.8 ttpt -50.17 -55.39 15.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 75.41 110.905 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.9 mp -52.73 -59.19 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 71.55 111.084 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.9 mp -52.89 -36.03 22.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 72.2 111.169 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 72.2 t -74.1 -25.08 19.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 73.54 111.14 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.9 mm-40 -87.55 -25.03 23.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 72.24 110.915 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -87.39 -65.35 1.02 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 75.31 110.946 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -55.77 -47.48 76.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 73.03 110.875 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 107.28 -16.87 37.98 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.769 -0.729 . . . . 55.12 112.485 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 26.0 m -66.61 173.34 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.863 0.364 . . . . 71.22 111.094 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.66 139.69 31.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 74.12 110.89 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -61.24 -18.17 57.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 75.23 110.9 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.2 -25.44 31.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 72.02 111.077 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -98.06 34.32 1.96 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 71.24 110.922 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.8 p -134.39 150.55 30.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 70.5 111.15 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.0 mttm -133.35 169.48 16.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 64.34 110.922 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -83.15 -24.98 32.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.268 -0.423 . . . . 72.22 110.896 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -81.27 -8.48 59.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 74.55 110.898 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.24 -169.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 73.1 111.112 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.0 m -132.19 -176.45 4.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 72.03 110.826 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.1 m-30 -100.12 -12.68 19.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 74.22 110.881 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.0 p -157.72 -45.0 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 75.41 111.102 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -55.68 -27.03 47.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 73.45 110.842 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -110.67 -61.74 1.63 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 64.33 110.892 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -51.23 -63.43 1.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 72.21 110.906 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 126.68 3.04 6.62 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.729 -0.748 . . . . 74.32 112.494 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.8 -168.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.818 0.342 . . . . 73.42 111.092 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -131.05 -79.09 0.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 71.44 110.833 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.4 t -140.83 -43.75 0.39 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 72.41 110.83 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -53.43 -28.38 29.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 70.41 110.92 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -70.37 -60.18 2.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 75.21 110.874 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.0 p -48.7 -51.12 30.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.14 -0.482 . . . . 75.14 111.147 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 30.7 m -62.86 -38.05 80.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 74.23 111.123 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -60.13 -53.29 59.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 71.13 110.849 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 16.2 mt -57.24 -48.31 79.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 72.43 110.907 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 97.8 t -50.93 -48.66 28.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 64.43 111.101 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 3.4 mtt -61.77 -46.88 87.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 75.23 110.832 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.38 -29.64 61.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 64.23 111.08 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 81.8 mt -74.87 -54.91 6.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 73.22 110.935 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -64.09 -15.13 58.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 74.51 110.909 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -96.28 -55.71 2.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 75.25 110.888 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -69.44 -54.81 12.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.473 . . . . 74.05 110.848 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -81.22 -0.62 41.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 73.54 110.887 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 51.19 35.57 13.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 55.3 110.849 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 62.3 p -91.85 172.57 8.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.468 . . . . 72.33 111.133 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -114.54 86.44 2.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 71.32 110.898 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 51.3 mm -111.58 78.11 1.95 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.604 0.716 . . . . 75.3 111.147 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -174.25 0.87 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.672 2.248 . . . . 71.32 112.34 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -51.36 -40.35 58.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 64.4 110.863 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -56.61 -75.12 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 72.14 110.867 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -53.8 -27.57 30.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 73.41 110.912 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.66 -44.98 95.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 64.0 111.094 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -59.41 -20.67 56.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 74.32 110.91 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.34 -45.6 10.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 74.25 110.946 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 50.2 mm -71.82 84.41 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 74.31 111.17 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 10.8 t -126.81 21.94 6.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 72.44 111.156 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -161.31 152.54 18.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 75.1 111.126 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.9 t -51.71 -58.65 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 75.25 111.075 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -51.63 -40.58 60.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 75.11 110.942 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.87 -46.55 81.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 72.44 111.119 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.9 -54.78 25.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 61.33 111.073 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 1.6 tp -56.57 -32.58 37.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 74.22 111.177 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -68.35 -49.08 62.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 74.02 110.885 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -58.03 -59.95 4.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 75.14 110.909 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 67.1 t -53.23 -45.74 55.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 73.44 111.134 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -64.86 -29.16 70.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 73.23 110.896 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.4 t -78.58 -33.47 47.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 75.15 110.835 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 7.9 m80 -94.2 59.45 2.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 71.43 110.85 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 11.5 mm-40 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 73.44 110.879 -179.926 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.2 t . . . . . 0 N--CA 1.458 -0.068 0 CA-C-O 120.88 0.372 . . . . 72.4 110.896 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -92.25 -38.78 11.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 73.33 110.875 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 32.9 mt -63.99 -49.06 83.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 73.34 111.134 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -52.91 -47.83 67.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 71.33 110.917 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -62.46 -46.33 88.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 74.14 110.903 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.02 -63.41 1.31 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 74.54 110.851 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 96.5 t -47.03 -41.28 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 65.44 111.091 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.27 -45.84 82.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 74.53 110.874 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 pttt -56.71 -32.86 65.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 75.3 110.878 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mp -72.49 -54.75 15.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 74.24 111.11 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.2 mt -59.89 -27.62 38.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 74.14 111.13 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 87.7 t -83.47 -32.83 9.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 75.31 111.164 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -83.19 -18.03 40.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.149 -0.478 . . . . 75.54 110.886 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 37.1 mm-40 -94.83 -51.52 4.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 74.01 110.932 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 58.2 mt -79.01 -61.86 1.88 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 74.24 110.882 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 127.22 -20.42 5.91 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.802 -0.713 . . . . 63.31 112.525 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 19.2 m -62.31 -174.55 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.845 0.355 . . . . 74.2 111.119 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -98.44 140.65 32.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 73.03 110.875 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -57.08 -24.11 51.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.436 . . . . 74.23 110.905 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.19 -24.36 37.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.11 -0.496 . . . . 64.12 111.113 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -80.44 -42.54 22.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 72.42 110.899 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 10.2 p -51.56 147.98 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 72.43 111.081 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 60.3 mttt -119.5 131.89 55.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 75.44 110.907 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -63.19 -45.89 89.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 74.4 110.914 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -88.37 58.58 4.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 64.03 110.904 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -144.85 -179.7 6.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 72.1 111.123 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.04 160.7 21.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 74.33 110.878 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -75.73 -14.84 60.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 75.53 110.854 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 5.4 t -120.88 2.3 6.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 74.3 111.16 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -107.48 -64.07 1.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 71.4 110.869 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -71.08 -45.61 63.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 55.35 110.84 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -91.15 -27.14 18.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 73.03 110.935 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.49 41.97 96.01 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.744 -0.741 . . . . 71.32 112.495 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -89.39 174.83 7.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.795 0.331 . . . . 61.52 111.096 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -92.04 -175.82 4.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 71.34 110.84 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.4 m -61.15 -38.02 84.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 71.34 110.851 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.62 -34.31 50.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 74.22 110.943 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -64.86 -57.48 8.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 74.4 110.882 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 68.8 p -51.29 -52.83 41.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 70.45 111.134 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 60.9 t -57.62 -40.15 73.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 75.21 111.127 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -57.55 -46.54 83.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.142 -0.481 . . . . 72.31 110.872 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 27.8 mt -62.31 -48.39 80.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.204 -0.453 . . . . 72.1 110.936 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 87.7 t -51.29 -46.88 34.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 71.14 111.124 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 19.5 mtp -61.84 -49.55 75.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 74.34 110.933 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -53.71 -33.41 55.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 53.45 111.06 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 79.3 mt -71.38 -51.39 24.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 75.04 110.931 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -71.38 -8.78 56.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 74.41 110.882 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -98.42 -45.94 5.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 73.44 110.867 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -86.37 -53.68 4.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 73.31 110.897 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 -82.2 -3.72 55.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 74.31 110.87 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.8 t0 51.33 30.01 5.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.475 . . . . 73.2 110.889 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.0 t -80.64 141.72 34.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 73.22 111.135 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -80.49 90.75 5.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 73.13 110.945 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 46.6 mt -118.6 82.35 19.66 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.636 0.732 . . . . 73.54 111.153 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -170.5 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.693 2.262 . . . . 62.43 112.343 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -54.97 -51.77 65.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 72.54 110.916 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -53.48 -63.68 1.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 71.54 110.912 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -57.32 -23.38 48.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 74.14 110.915 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.14 -29.22 57.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 72.4 111.093 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -77.35 -32.92 55.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 71.13 110.909 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 52.5 pttt -81.08 -32.13 34.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 74.52 110.897 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 47.1 mm -91.23 83.58 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 72.54 111.126 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.1 t -123.21 19.39 9.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 71.0 111.069 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 16.8 p -139.69 156.74 46.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 74.34 111.102 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 60.5 t -55.8 -61.47 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 75.34 111.177 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 10.8 tp60 -50.35 -42.29 52.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 72.53 110.92 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.71 -45.47 89.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 64.41 111.061 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.63 -56.02 14.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 73.44 111.115 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 1.4 tp -55.8 -34.72 37.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 75.03 111.128 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -70.91 -37.77 72.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 75.42 110.881 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -64.1 -59.15 4.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 74.43 110.88 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 18.7 m -58.79 -40.58 80.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 74.03 111.099 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -65.8 -30.98 71.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 72.55 110.855 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 30.7 t -84.8 -26.18 27.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 72.21 110.852 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 9.6 m80 -93.29 58.5 2.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 75.44 110.865 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 72.12 110.91 -179.949 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.7 t . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.868 0.366 . . . . 74.11 110.868 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -81.28 -43.59 18.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 64.31 110.864 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 19.9 mt -52.4 -47.47 46.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 74.05 111.126 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -51.05 -46.61 61.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 74.12 110.876 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 47.5 tt0 -64.87 -44.63 89.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 71.23 110.933 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -61.52 -60.54 3.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.128 -0.487 . . . . 74.33 110.894 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 44.1 t -48.88 -48.19 16.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 74.24 111.104 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.1 -43.72 98.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 75.44 110.917 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.4 ttpt -54.49 -41.63 69.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 74.41 110.888 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.4 mp -66.66 -54.22 27.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 75.52 111.09 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.5 mt -59.48 -29.51 42.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 65.14 111.146 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 79.2 t -84.99 -25.22 6.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 73.5 111.151 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -89.75 -13.53 36.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 74.35 110.907 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -107.1 -56.39 2.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 74.14 110.897 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 39.4 mt -80.0 -28.7 39.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 71.32 110.912 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.67 -21.82 41.12 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.765 -0.731 . . . . 73.24 112.481 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 17.4 m -53.95 162.82 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.769 0.319 . . . . 62.2 111.172 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -86.82 145.59 26.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.448 . . . . 75.05 110.865 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -57.16 -23.62 48.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 70.14 110.862 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.19 -42.13 14.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 63.45 111.091 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -66.94 -39.82 87.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 74.41 110.825 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 10.0 p -51.64 140.12 6.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 74.33 111.11 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -105.77 134.59 48.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 72.12 110.899 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -77.92 -34.82 51.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 63.05 110.845 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -93.24 42.31 1.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 72.54 110.874 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -137.26 157.78 45.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 71.5 111.088 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.0 m -91.96 -171.7 2.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 64.21 110.84 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -99.67 -27.68 13.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 75.45 110.863 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 12.6 m -120.67 -34.17 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 73.15 111.174 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.65 -25.1 61.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 64.3 110.89 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -114.24 -74.52 0.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 75.23 110.816 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 23.3 mt -51.89 -29.75 21.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 63.15 110.942 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 75.95 35.51 44.46 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.719 -0.753 . . . . 71.4 112.451 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -87.1 -174.2 4.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.831 0.348 . . . . 71.24 111.083 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -104.62 171.55 7.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.429 . . . . 62.4 110.875 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.0 t -54.68 -33.52 60.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 60.34 110.848 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.5 -39.42 80.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 72.3 110.94 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -61.24 -56.96 14.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.158 -0.474 . . . . 62.54 110.889 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 74.9 p -50.8 -52.35 41.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.15 -0.477 . . . . 62.3 111.156 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 72.5 t -56.79 -38.37 58.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.446 . . . . 74.32 111.1 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -60.69 -45.24 94.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 75.15 110.887 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 32.1 mt -66.85 -49.59 65.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 71.23 110.935 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 75.3 t -51.05 -42.78 25.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 75.02 111.14 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 5.2 mtp -70.08 -41.89 73.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 72.34 110.858 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.76 -26.36 67.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 75.33 111.071 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 81.1 mt -82.93 -51.08 7.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.251 -0.431 . . . . 75.21 110.905 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -68.48 -12.13 60.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 70.11 110.871 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -100.26 -49.16 4.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 73.32 110.92 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -76.82 -52.1 10.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 74.42 110.857 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -85.72 -0.69 55.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 74.32 110.912 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.0 t0 49.89 37.7 14.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.486 . . . . 75.41 110.838 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 44.8 p -88.53 129.32 35.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 71.25 111.155 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -69.98 84.17 0.5 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.225 -0.443 . . . . 75.51 110.905 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 49.4 mm -111.08 78.51 1.72 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.573 0.701 . . . . 74.51 111.125 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -170.92 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.709 2.273 . . . . 73.54 112.35 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -55.53 -42.88 75.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 74.41 110.86 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -58.44 -61.76 2.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 64.32 110.829 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.96 -14.58 60.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 72.31 110.87 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -80.38 -32.29 37.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 72.2 111.097 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.69 -18.02 58.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 72.21 110.887 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt -98.91 -35.26 10.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 63.41 110.913 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 40.8 mm -87.41 83.48 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 71.55 111.134 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 10.6 t -126.51 23.34 6.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 74.24 111.165 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 19.8 p -144.96 160.29 41.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.201 -0.454 . . . . 63.2 111.106 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 48.8 t -60.45 -60.64 2.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 63.11 111.111 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -50.57 -37.5 40.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 72.41 110.899 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.82 -49.91 59.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 75.25 111.111 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.11 -53.09 60.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 64.34 111.119 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 1.4 tp -58.46 -35.91 56.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 74.35 111.152 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -67.56 -37.28 82.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 74.34 110.87 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -67.46 -65.21 0.72 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 74.12 110.918 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 21.4 m -50.94 -39.93 19.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.106 -0.497 . . . . 75.24 111.199 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 32.7 t-20 -65.31 -42.43 93.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 72.41 110.913 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 46.9 t -73.11 -22.77 60.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 74.31 110.848 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 11.0 m80 -110.24 67.73 0.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 75.53 110.848 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 6.7 mp0 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 63.45 110.895 -179.921 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.2 m . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.931 0.396 . . . . 65.22 110.889 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -50.21 -36.52 31.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.078 -0.51 . . . . 63.32 110.878 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 69.6 mt -71.49 -47.2 59.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 71.23 111.119 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -59.43 -47.25 86.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 72.24 110.894 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -63.82 -39.15 93.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 72.43 110.853 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.5 mtp180 -67.59 -57.7 5.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 73.35 110.907 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 62.1 t -49.39 -60.82 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 74.35 111.177 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 41.2 mmtm -50.22 -47.4 54.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 74.11 110.905 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.0 ttpt -49.2 -58.04 5.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 73.45 110.882 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.3 mt -52.56 -56.94 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 71.41 111.064 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.0 mp -53.39 -33.11 20.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 73.55 111.148 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 74.7 t -75.29 -27.11 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 72.11 111.111 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -80.15 -27.15 39.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 73.3 110.908 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -83.33 -60.49 2.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 75.24 110.895 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 58.8 mt -70.34 -28.68 65.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 71.04 110.885 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.89 15.17 76.02 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.792 -0.718 . . . . 64.31 112.475 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 32.7 m -90.93 -179.94 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.802 0.334 . . . . 73.31 111.109 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -77.87 128.48 34.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 72.53 110.886 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -52.44 -29.4 24.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 74.13 110.877 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.63 -43.76 88.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 75.51 111.091 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -58.26 -51.75 68.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 63.33 110.906 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 56.4 t -51.7 106.13 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 75.23 111.157 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 48.1 mttp -95.93 143.1 27.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 73.44 110.907 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -63.14 -29.11 70.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 71.04 110.918 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -98.29 29.32 3.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 74.45 110.885 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.35 141.59 48.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 75.44 111.111 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.8 t -90.1 167.29 12.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 74.11 110.898 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -84.56 -29.27 26.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 74.43 110.909 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 5.5 m -121.38 -32.36 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 74.31 111.097 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -72.51 -27.44 62.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 72.31 110.86 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -113.87 -74.59 0.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 73.41 110.888 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.2 mt -55.5 -26.88 45.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 74.45 110.925 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.24 48.19 54.06 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.703 -0.761 . . . . 63.15 112.503 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -82.36 -80.72 0.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.758 0.313 . . . . 74.12 111.078 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 178.98 179.83 0.39 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 75.22 110.857 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 41.8 m -71.3 -42.41 68.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 74.3 110.849 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.7 tp -53.64 -32.73 52.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.13 -0.486 . . . . 75.43 110.896 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -65.87 -56.2 13.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 73.34 110.857 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 81.2 p -51.56 -55.25 20.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 74.23 111.164 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.2 p -57.46 -36.87 54.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 72.44 111.165 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -59.15 -45.19 91.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 75.24 110.849 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 25.3 mt -64.59 -50.29 67.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 72.12 110.948 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 93.2 t -50.59 -44.12 24.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 72.1 111.126 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 35.5 mtp -67.4 -41.1 85.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 73.33 110.861 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.92 -30.44 67.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.273 -0.422 . . . . 44.13 111.109 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 89.1 mt -78.75 -58.02 3.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 74.45 110.928 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.58 -19.17 46.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 71.15 110.888 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 78.7 tt0 -92.59 -60.59 1.79 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 61.22 110.899 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -63.95 -58.48 6.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.482 . . . . 73.11 110.879 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -75.36 -6.49 50.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 75.02 110.908 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.1 t0 61.61 26.77 16.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.09 -0.505 . . . . 74.2 110.86 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -78.93 174.5 11.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 75.12 111.101 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -117.76 88.42 2.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 72.4 110.884 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.0 mp -117.44 77.38 10.29 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.605 0.717 . . . . 62.54 111.085 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -169.56 0.33 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.681 2.254 . . . . 74.01 112.341 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -52.96 -48.27 67.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 72.01 110.862 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -54.43 -68.33 0.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 74.42 110.883 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.91 -37.88 54.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 75.11 110.876 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.09 -47.13 72.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 62.4 111.1 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -55.07 -25.73 32.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 64.22 110.865 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.3 mtpt -81.14 -46.16 15.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 62.31 110.884 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 30.6 mm -75.67 96.25 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.223 -0.444 . . . . 72.43 111.147 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 54.1 p -117.3 -22.04 8.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 75.53 111.152 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 17.7 p -124.93 -177.27 3.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 74.43 111.099 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 42.9 t -70.47 -49.25 54.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 75.33 111.123 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.8 -45.83 64.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 75.33 110.882 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.8 -43.98 97.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 74.03 111.119 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.12 -60.17 2.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 73.21 111.083 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 5.6 tp -51.25 -31.15 11.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 75.41 111.178 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -72.08 -52.25 17.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 75.11 110.86 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -52.36 -55.56 20.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 75.24 110.922 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 80.7 t -59.58 -50.83 78.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 75.24 111.147 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -56.55 -26.61 55.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 73.23 110.905 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 9.3 t -88.13 -30.24 19.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 74.11 110.84 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 10.9 m80 -90.08 55.62 3.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 63.01 110.859 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 39.9 mm-40 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 74.05 110.914 -179.904 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 m . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.913 0.387 . . . . 75.14 110.87 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -65.66 -54.15 31.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 73.31 110.892 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 13.5 mt -51.2 -36.58 16.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 72.45 111.185 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -60.55 -55.83 28.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.101 -0.5 . . . . 73.12 110.9 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -60.31 -38.29 83.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 73.33 110.857 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.77 -64.47 0.85 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 71.3 110.836 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -49.73 -31.44 6.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 74.42 111.165 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.19 -49.65 54.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 73.51 110.902 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt -56.09 -44.87 79.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 75.13 110.922 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.6 mp -61.04 -58.93 5.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 73.14 111.157 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 29.4 mt -51.75 -31.18 12.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 74.32 111.126 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 83.3 t -81.33 -31.29 11.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 75.13 111.109 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -81.9 -16.45 50.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 74.32 110.838 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -96.33 -39.6 9.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 74.33 110.872 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 73.7 mt -90.34 -27.83 19.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 74.34 110.879 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.4 19.12 79.92 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.736 -0.745 . . . . 62.42 112.473 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 19.9 m -102.25 -178.88 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.823 0.344 . . . . 74.35 111.156 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -79.55 131.9 36.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 73.03 110.869 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -54.15 -28.19 38.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 75.23 110.897 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.02 -44.11 81.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 63.4 111.117 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -60.72 -29.97 69.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 75.41 110.889 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 96.1 t -59.22 101.05 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 74.35 111.139 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 44.0 mmtt -90.13 128.03 36.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 73.42 110.882 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -54.83 -42.81 72.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 73.13 110.87 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -91.42 59.2 3.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 74.22 110.887 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -153.81 141.08 19.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 73.23 111.076 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -83.99 161.77 20.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 72.22 110.837 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -69.67 -23.23 63.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.484 . . . . 74.43 110.885 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 46.8 t -127.94 -48.43 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 73.34 111.148 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -52.09 -30.3 25.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.478 . . . . 64.03 110.869 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -112.15 -71.74 0.74 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 73.12 110.848 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 38.5 mt -51.5 -47.73 63.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 75.41 110.921 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 98.36 20.45 20.11 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.717 -0.754 . . . . 65.22 112.489 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.98 -169.31 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.74 0.305 . . . . 64.32 111.115 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -111.82 169.93 8.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 74.51 110.825 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -53.08 -43.07 66.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 74.14 110.835 -179.774 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.2 tp -53.27 -34.47 57.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.132 -0.485 . . . . 74.31 110.906 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -64.35 -57.51 9.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 70.53 110.904 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 74.4 p -51.59 -56.33 14.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 72.25 111.122 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 46.8 t -54.38 -40.17 47.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 74.42 111.12 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -57.38 -49.53 75.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 75.12 110.872 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 30.7 mt -58.98 -49.79 76.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.478 . . . . 74.21 110.896 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 95.0 t -50.24 -48.58 24.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 71.12 111.154 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 15.7 mtp -58.8 -48.28 81.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.467 . . . . 73.35 110.89 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.77 -29.87 65.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 71.42 111.134 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.4 mt -73.35 -42.64 61.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 64.55 110.936 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -80.77 -9.22 59.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 74.42 110.934 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -104.37 -24.77 13.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.487 . . . . 73.44 110.876 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -106.25 -46.03 4.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 75.14 110.895 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -96.95 0.87 49.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 72.54 110.862 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 50.55 34.28 9.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 75.03 110.851 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 30.2 p -86.34 119.74 26.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 73.14 111.13 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 20.5 mp0 -69.27 85.12 0.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 74.55 110.907 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 53.6 mt -109.2 85.45 3.41 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.624 0.726 . . . . 73.31 111.098 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 179.57 3.62 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.696 2.264 . . . . 53.21 112.302 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -54.58 -42.61 71.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 63.03 110.865 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -56.63 -57.89 10.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 64.22 110.896 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -74.68 -5.73 44.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 64.14 110.91 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -83.66 -35.45 24.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.483 . . . . 75.3 111.104 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -70.73 -23.57 62.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 74.43 110.924 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -90.74 -33.64 15.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 73.41 110.851 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 46.0 mm -90.41 85.12 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 74.11 111.136 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 64.0 p -131.4 22.69 4.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 70.11 111.129 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 12.3 p -140.55 158.12 44.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 74.53 111.146 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 37.4 t -55.31 -61.83 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.23 -0.441 . . . . 73.23 111.106 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 -51.49 -44.37 62.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 75.55 110.906 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.9 -42.99 99.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 73.32 111.074 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.31 -59.0 3.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 64.12 111.097 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 3.4 tp -52.19 -33.57 16.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.28 -0.418 . . . . 74.34 111.095 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -70.97 -46.17 62.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 65.42 110.85 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -55.96 -56.35 21.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.456 . . . . 75.11 110.945 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 22.7 m -61.59 -38.85 81.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 71.23 111.144 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -68.04 -23.65 65.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 74.24 110.886 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 43.2 t -91.78 -31.1 15.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 73.31 110.847 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 18.0 m80 -93.89 52.56 1.67 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 73.34 110.851 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 74.45 110.948 -179.95 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.2 m . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.873 0.368 . . . . 74.31 110.893 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -92.08 -52.7 4.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 74.34 110.873 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 49.7 mt -57.74 -34.65 48.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 75.05 111.158 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -60.98 -56.54 19.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 73.24 110.911 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -64.63 -34.96 79.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 73.44 110.92 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.1 mtp180 -67.49 -63.84 0.98 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 73.12 110.897 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 98.0 t -50.93 -57.68 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 72.43 111.124 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 24.4 mmtp -51.26 -49.01 62.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.47 . . . . 73.54 110.895 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.8 ttmt -48.83 -57.63 6.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 72.44 110.93 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.3 mt -50.73 -57.76 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 71.54 111.18 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.0 mt -54.01 -29.65 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 74.03 111.164 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 73.5 t -80.3 -27.07 11.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 74.45 111.106 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -91.6 -9.72 43.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 71.43 110.892 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -104.35 -61.64 1.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 72.34 110.896 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.6 mp -72.84 -45.95 55.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 73.44 110.931 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 117.68 -32.08 5.49 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.727 -0.749 . . . . 63.52 112.477 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 34.2 m -51.44 161.51 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.834 0.35 . . . . 74.14 111.138 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -83.81 146.33 28.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 75.45 110.863 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -62.61 -17.67 60.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 72.32 110.874 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -88.1 -60.65 1.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 75.04 111.061 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -51.93 -39.05 58.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 64.43 110.867 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 8.6 p -51.93 150.44 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 75.03 111.134 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? -116.92 136.18 53.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 71.42 110.875 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -70.23 -38.14 75.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 72.53 110.897 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -90.56 46.89 1.37 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 73.31 110.869 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -139.66 157.33 45.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 75.41 111.09 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.6 t -92.88 -175.52 3.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 73.22 110.892 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -96.54 -35.76 10.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 70.33 110.918 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 8.0 p -121.04 -34.58 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 72.25 111.092 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -66.6 -23.38 66.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 71.43 110.874 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -117.6 -74.61 0.6 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 74.02 110.841 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.3 mt -51.58 -37.31 49.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 64.42 110.932 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 89.33 27.0 24.11 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.765 -0.731 . . . . 71.3 112.507 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.01 -169.13 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.79 0.329 . . . . 72.0 111.111 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -106.08 -176.75 3.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.269 -0.423 . . . . 74.22 110.832 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.9 m -67.31 -48.55 67.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 74.23 110.886 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.18 -33.2 51.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.082 -0.508 . . . . 74.44 110.891 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.15 -63.25 1.37 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 74.24 110.87 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 50.6 p -51.55 -50.76 59.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 51.54 111.133 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 63.5 t -59.76 -35.92 62.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 73.11 111.129 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -63.04 -41.73 99.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 73.44 110.908 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 36.2 mt -66.35 -46.32 77.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 75.24 110.922 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 84.8 t -55.59 -56.54 11.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 73.2 111.117 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 26.6 ptm -58.83 -36.7 74.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 75.12 110.891 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.8 -40.5 88.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 60.14 111.105 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 41.0 mt -68.85 -59.62 2.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 64.25 110.894 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -56.24 -21.42 23.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 75.13 110.872 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -87.24 -62.75 1.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 75.35 110.901 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.26 -62.03 1.97 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 74.21 110.87 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -66.32 -13.83 61.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 73.1 110.887 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.5 t70 61.2 38.21 16.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 72.35 110.853 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.6 p -93.68 164.89 12.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.455 . . . . 72.11 111.143 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -96.75 83.85 3.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 55.15 110.932 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 51.7 mm -111.52 79.25 2.25 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.631 0.729 . . . . 73.21 111.154 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -170.48 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.705 2.27 . . . . 71.04 112.339 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -53.63 -50.51 65.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 74.32 110.853 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -52.12 -67.33 0.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 75.02 110.881 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -55.48 -26.02 40.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 71.23 110.86 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.81 -27.01 60.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 74.24 111.094 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -79.63 -35.02 40.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 74.33 110.842 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 10.9 ptmm? -79.91 -31.96 40.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 65.33 110.903 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 41.4 mm -91.17 86.4 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 74.14 111.12 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 10.1 t -126.27 12.74 7.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.203 -0.453 . . . . 74.24 111.12 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 20.0 p -139.48 156.44 46.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 70.23 111.151 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 57.8 t -54.92 -59.52 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 64.22 111.144 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -51.15 -39.78 57.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 73.23 110.911 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.79 -46.33 79.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 72.11 111.104 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.87 -53.74 41.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 72.52 111.114 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 2.1 tp -57.45 -33.7 44.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 74.41 111.104 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -68.98 -43.75 74.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 71.35 110.839 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -61.03 -60.64 3.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 73.53 110.938 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 77.4 t -52.83 -48.69 49.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 74.51 111.156 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -65.33 -24.96 67.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 72.13 110.914 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.3 t -78.29 -44.19 26.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 74.4 110.81 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 3.3 m80 -82.84 56.72 3.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 73.12 110.84 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 75.41 110.956 -179.985 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.6 t . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.89 0.376 . . . . 73.41 110.878 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -91.89 -40.27 11.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 74.12 110.924 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 78.7 mt -61.79 -40.43 86.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 74.22 111.133 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.32 -47.11 79.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 75.24 110.886 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -66.43 -38.68 87.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 63.25 110.875 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.0 mmm-85 -66.41 -60.1 3.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 74.42 110.865 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 32.1 t -50.72 -59.85 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 65.12 111.144 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 36.8 mmtm -50.75 -46.75 59.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 71.42 110.917 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.6 ttpp -50.8 -48.33 59.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 75.54 110.925 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mp -60.2 -57.54 11.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 74.44 111.122 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.6 mp -51.66 -33.95 15.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 75.31 111.143 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 89.9 t -77.42 -38.86 27.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.174 -0.466 . . . . 74.34 111.131 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -71.91 -24.2 61.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 74.3 110.91 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 -84.63 -46.66 11.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 75.21 110.917 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -85.43 -65.39 1.02 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 72.54 110.918 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 127.17 -17.33 6.27 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.746 -0.74 . . . . 61.31 112.463 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 23.0 m -66.17 -176.64 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.807 0.337 . . . . 73.42 111.139 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -91.65 132.64 36.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 71.43 110.861 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -55.97 -26.4 48.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 71.32 110.892 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.89 -52.63 41.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 63.41 111.082 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -54.79 -26.86 37.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 73.33 110.875 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 65.7 t -82.54 116.74 27.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 65.22 111.166 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.3 mtmm -97.04 175.55 6.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 74.34 110.931 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -77.95 -30.14 50.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 75.54 110.858 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -103.43 47.98 0.87 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 65.13 110.849 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -111.8 167.16 10.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 65.43 111.119 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.5 m -105.38 161.24 14.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 63.13 110.889 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -87.45 8.36 25.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 75.51 110.87 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 96.9 t -149.59 -41.2 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 73.51 111.129 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -70.38 -42.12 72.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 74.03 110.887 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.71 -67.5 0.78 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.482 . . . . 73.03 110.904 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -63.27 -69.63 0.26 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 72.05 110.903 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 136.24 -5.59 3.91 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.778 -0.725 . . . . 74.1 112.477 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.23 -169.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.751 0.31 . . . . 74.31 111.113 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -133.41 -78.43 0.48 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 54.34 110.884 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 43.2 t -133.19 -40.83 0.9 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 72.34 110.893 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.9 mt -51.17 -32.72 24.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.085 -0.507 . . . . 64.13 110.923 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -68.92 -58.33 4.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 72.25 110.916 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 68.1 p -47.35 -52.51 16.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 71.14 111.146 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.2 p -62.83 -36.76 76.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 74.03 111.168 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.8 -56.1 23.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.134 -0.485 . . . . 72.03 110.932 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.6 mt -55.37 -46.74 76.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 63.4 110.895 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 81.9 t -51.49 -57.6 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 72.24 111.111 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.19 -45.53 65.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 72.34 110.939 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.75 -35.26 70.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 71.43 111.062 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 86.8 mt -72.5 -59.54 2.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 75.21 110.915 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -56.98 -20.53 24.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 70.55 110.897 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -87.3 -61.23 1.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 74.42 110.879 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -65.95 -61.73 1.89 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 74.4 110.896 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -66.77 -13.3 61.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 72.21 110.9 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.0 t70 63.84 34.24 12.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.122 -0.49 . . . . 73.24 110.829 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.3 p -90.73 176.36 6.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 73.43 111.114 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 67.8 mt-10 -118.07 86.5 2.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.453 . . . . 71.14 110.848 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 2.0 mp -109.65 84.25 3.12 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.671 0.748 . . . . 75.53 111.133 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.76 -170.16 0.37 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.741 2.294 . . . . 72.55 112.298 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -66.85 -47.94 70.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.448 . . . . 73.42 110.844 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -54.3 -46.64 72.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 71.43 110.892 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -78.08 -22.84 48.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 73.03 110.879 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.97 -41.09 91.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 71.4 111.107 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.94 -22.4 48.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 73.35 110.88 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.8 mtpt -81.58 -31.71 32.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 73.42 110.917 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 45.6 mm -84.85 94.46 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 73.45 111.153 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 44.4 p -139.75 13.58 2.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 72.41 111.128 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 40.2 p -151.79 155.08 37.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 71.31 111.161 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.6 t -51.56 -59.89 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 72.13 111.167 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -51.59 -45.07 63.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 73.04 110.922 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.35 -44.47 97.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 74.01 111.11 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.57 -59.45 3.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 71.34 111.108 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 6.0 tp -51.71 -30.95 12.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 72.55 111.112 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -70.73 -53.25 16.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 74.05 110.884 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -52.66 -55.55 21.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 74.43 110.912 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 44.3 t -58.13 -48.95 83.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 71.15 111.156 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -58.55 -32.02 68.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 72.54 110.837 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 28.1 t -81.85 -28.24 33.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 73.02 110.866 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 22.6 m80 -97.22 57.0 1.41 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 73.42 110.889 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 41.1 mm-40 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 74.32 110.943 -179.939 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.2 p . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.892 0.377 . . . . 73.3 110.83 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -52.92 -60.26 3.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 60.14 110.903 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.2 mt -55.36 -40.42 57.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 75.14 111.143 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 75.7 tt0 -51.88 -55.84 17.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 71.45 110.886 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -65.75 -25.96 67.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 75.32 110.933 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 -72.04 -66.58 0.62 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 70.1 110.909 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.2 m -50.38 -42.69 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 74.22 111.108 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -62.18 -51.19 68.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 74.13 110.891 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.5 ttmt -50.08 -46.27 53.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 75.31 110.852 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.0 mt -61.54 -63.16 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 75.43 111.109 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.7 mt -50.03 -31.6 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 70.32 111.146 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 74.0 t -77.81 -36.04 21.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 73.24 111.143 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -75.52 -29.18 59.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 75.5 110.859 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -79.56 -53.68 6.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 75.43 110.94 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -73.08 -62.59 1.41 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 73.5 110.905 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 116.84 16.14 6.47 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.739 -0.743 . . . . 71.15 112.509 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 24.5 m -97.2 175.04 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.838 0.351 . . . . 64.44 111.148 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -77.91 127.82 32.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.467 . . . . 75.33 110.886 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -51.9 -31.82 29.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 75.34 110.929 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.3 -39.82 91.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 75.44 111.126 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -61.66 -50.03 74.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 75.5 110.936 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.8 t -59.82 113.76 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 75.0 111.134 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.8 mtmm -112.06 168.33 9.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 74.14 110.891 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -68.48 -20.61 64.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 75.35 110.866 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -99.98 21.21 13.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 71.42 110.887 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -100.11 157.11 16.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 70.42 111.129 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.7 t -102.71 173.98 6.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 73.21 110.846 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -89.91 -27.45 19.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 75.34 110.908 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 95.0 t -126.15 -45.11 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.13 -0.486 . . . . 72.22 111.137 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.97 -33.31 62.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 65.04 110.884 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -108.04 -66.43 1.04 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 75.31 110.903 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.5 mp -52.08 -54.21 33.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 75.1 110.908 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 112.15 15.13 10.1 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.736 -0.745 . . . . 34.54 112.483 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.25 172.8 0.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.773 0.321 . . . . 64.52 111.111 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -136.28 -76.52 0.43 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 74.55 110.877 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.3 m -138.63 -48.46 0.52 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 75.25 110.857 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.1 mt -68.83 -32.84 72.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 74.01 110.909 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -68.41 -52.71 29.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 73.31 110.8 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -57.48 -55.51 33.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 73.41 111.129 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.0 m -57.99 -35.56 52.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 71.01 111.126 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -61.22 -46.12 91.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 73.22 110.865 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 49.5 mt -62.57 -48.62 78.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 73.24 110.877 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 98.4 t -51.83 -49.01 38.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 64.02 111.126 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 31.7 mtp -60.59 -47.07 87.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 72.45 110.888 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.85 -33.74 62.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 65.43 111.155 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 80.1 mt -70.92 -54.64 10.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 73.35 110.893 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -65.55 -13.22 58.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 75.44 110.848 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -94.1 -51.97 4.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 75.44 110.929 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -76.66 -56.76 4.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 75.1 110.894 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -75.81 -6.09 49.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 71.54 110.866 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 53.81 27.6 7.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 73.41 110.87 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.1 t -87.08 169.86 12.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 74.34 111.167 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 48.3 mm-40 -105.19 112.44 25.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 75.12 110.887 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 61.2 mt -135.74 84.07 33.81 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.605 0.717 . . . . 75.33 111.092 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -173.53 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.688 2.259 . . . . 74.04 112.342 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -53.15 -50.7 64.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 64.21 110.844 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -52.38 -63.63 1.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 74.44 110.901 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -60.93 -18.33 56.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 74.34 110.931 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -81.77 -24.14 36.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 72.0 111.125 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -84.04 -26.32 29.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 72.42 110.933 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.5 pttp -83.95 -34.95 24.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.09 -0.505 . . . . 71.41 110.919 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 31.3 mm -77.09 88.87 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 65.24 111.143 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 63.4 p -136.6 30.0 2.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 74.23 111.135 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.1 p -158.58 147.4 18.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 73.3 111.147 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 39.5 t -50.0 -60.32 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 75.33 111.096 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.7 tp60 -51.17 -42.06 60.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 72.5 110.931 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.2 -44.3 92.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.482 . . . . 71.4 111.097 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.5 -56.09 12.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 74.41 111.061 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 6.5 tp -54.53 -32.69 25.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 74.45 111.183 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -71.38 -49.21 44.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.486 . . . . 73.03 110.878 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -54.52 -57.93 9.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 75.13 110.881 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 67.7 t -57.84 -52.04 62.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 73.21 111.104 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -52.79 -30.84 35.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 73.1 110.865 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 38.6 m -84.5 -32.2 24.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 75.53 110.875 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 20.7 m80 -95.04 57.63 2.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 65.35 110.905 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 74.44 110.9 -179.903 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.9 t . . . . . 0 C--O 1.23 0.034 0 CA-C-O 120.922 0.391 . . . . 71.25 110.927 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -73.24 -50.96 19.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.089 -0.505 . . . . 74.34 110.873 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 65.8 mt -54.09 -51.7 44.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 71.11 111.15 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -50.07 -44.47 51.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.482 . . . . 72.24 110.863 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -66.2 -53.61 35.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 64.53 110.857 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.0 mmm-85 -54.64 -58.08 8.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 74.55 110.865 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 40.4 t -49.53 -58.86 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 72.21 111.106 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.12 -42.75 69.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 74.25 110.884 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.8 ttpt -51.45 -52.02 49.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 74.14 110.905 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.7 mp -59.08 -54.23 37.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 71.13 111.138 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.8 mt -52.19 -28.85 11.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 75.22 111.094 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 88.6 t -78.35 -43.63 26.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 74.41 111.128 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -71.27 -24.38 62.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.452 . . . . 73.15 110.894 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -82.17 -53.6 5.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 74.2 110.878 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.3 mp -83.99 -63.69 1.3 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 73.21 110.904 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 128.23 -15.7 6.1 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.729 -0.748 . . . . 74.41 112.481 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 29.1 m -68.14 -175.17 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.868 0.366 . . . . 71.04 111.081 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -93.88 137.44 33.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 71.12 110.897 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -60.16 -32.81 71.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 70.3 110.922 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.1 -62.89 1.49 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 75.12 111.107 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -52.73 -29.21 25.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 74.14 110.914 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 60.8 t -72.82 85.24 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 74.12 111.157 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 46.3 mtmt -60.48 170.0 1.54 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 72.44 110.904 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -86.51 -27.24 24.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 73.43 110.871 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -94.33 37.84 1.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 63.21 110.865 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -119.4 -178.27 3.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 74.43 111.13 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.5 t -132.07 163.55 28.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 64.1 110.838 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -71.22 -36.7 71.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 73.31 110.891 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 84.7 t -126.99 -40.24 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 71.33 111.15 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -52.86 -28.86 24.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 73.15 110.856 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -122.14 -62.31 1.4 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 71.24 110.919 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -51.62 -30.41 21.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 74.01 110.905 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 80.44 17.42 73.66 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.761 -0.733 . . . . 70.21 112.474 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.91 -169.98 0.4 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.816 0.341 . . . . 64.03 111.078 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -108.01 162.68 13.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 70.53 110.873 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.93 -36.86 50.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 74.42 110.839 -179.745 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.78 -30.48 23.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 70.22 110.891 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -70.15 -58.17 4.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 74.23 110.888 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 63.0 p -51.1 -36.23 39.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 75.2 111.13 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 73.3 t -68.96 -56.01 13.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 75.05 111.151 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -57.04 -31.21 64.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 70.22 110.9 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 82.5 mt -70.65 -47.21 61.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 75.31 110.903 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 87.0 t -57.52 -50.2 77.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 74.44 111.133 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 23.8 ptm -63.59 -36.34 83.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 74.42 110.897 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.72 -41.07 94.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 71.03 111.094 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 31.5 mt -68.49 -59.57 3.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 75.34 110.919 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -54.82 -23.82 20.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 72.23 110.867 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -85.14 -60.77 1.94 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 75.4 110.842 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -63.79 -62.66 1.51 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 72.11 110.859 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -64.58 -15.56 61.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 72.11 110.877 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 61.89 45.91 7.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.499 . . . . 72.5 110.878 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 20.3 p -105.14 166.67 10.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 73.15 111.139 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 80.8 mt-10 -97.29 84.16 3.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.437 . . . . 72.03 110.904 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 51.0 mm -109.85 82.67 2.47 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.601 0.715 . . . . 74.44 111.166 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 176.59 6.6 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.672 2.248 . . . . 65.22 112.341 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -55.72 -42.71 75.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 73.04 110.9 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -56.29 -57.05 13.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 72.11 110.87 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -75.52 -5.21 44.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 74.22 110.885 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -84.73 -34.35 22.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 72.33 111.127 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 -70.84 -28.88 64.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 74.52 110.895 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.3 ptpt -82.68 -34.54 27.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 72.21 110.878 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 46.7 mm -91.81 80.75 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 73.05 111.101 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 55.3 p -126.49 19.04 7.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 55.23 111.165 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 19.3 p -140.39 158.86 43.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 73.22 111.14 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 27.6 t -54.89 -61.02 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 70.14 111.145 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -51.77 -41.46 61.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 73.32 110.921 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.23 -46.33 87.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 74.45 111.084 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.08 -57.69 7.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 72.44 111.078 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 1.7 tp -53.39 -32.64 20.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 74.51 111.136 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -69.7 -50.8 40.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 73.21 110.871 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -53.83 -59.87 4.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 74.23 110.93 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 29.0 t -55.11 -48.98 75.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.093 -0.503 . . . . 72.52 111.096 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -60.23 -26.14 66.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 75.43 110.858 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.1 p -86.45 -27.97 23.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 72.3 110.85 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 13.6 m80 -98.38 62.48 1.47 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 73.11 110.89 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 73.32 110.91 -179.922 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.9 m . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.904 0.383 . . . . 75.11 110.876 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -60.67 -55.9 27.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 75.01 110.882 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 7.5 mt -53.75 -42.4 51.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 73.15 111.131 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -52.02 -54.87 24.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 74.54 110.909 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.8 tp10 -63.27 -36.11 82.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 74.4 110.871 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.4 tpp180 -64.52 -65.3 0.69 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.148 -0.478 . . . . 74.01 110.844 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 43.8 t -48.9 -46.65 16.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 63.32 111.131 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.5 mptt -59.63 -42.41 92.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 74.23 110.928 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 30.4 ttmt -56.04 -48.56 75.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 75.32 110.888 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.1 mp -60.36 -49.78 82.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 72.52 111.102 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 13.1 mt -60.71 -36.53 71.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 75.1 111.122 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 99.0 t -78.23 -22.73 13.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 72.21 111.146 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -91.83 -14.03 30.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 71.24 110.904 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -112.21 -64.71 1.26 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 74.33 110.89 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 42.2 mt -67.35 -36.32 81.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 73.51 110.895 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.43 -26.93 22.69 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.702 -0.761 . . . . 74.45 112.498 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 28.4 m -51.2 162.2 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.819 0.342 . . . . 75.14 111.131 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -85.06 145.62 27.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 74.31 110.895 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -61.24 -19.04 61.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 75.01 110.86 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.51 -53.45 4.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 74.1 111.115 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -58.12 -39.63 79.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 74.51 110.872 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 9.5 p -51.68 141.29 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 74.31 111.178 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 45.5 mttm -118.63 127.38 53.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 75.32 110.848 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -62.48 -22.31 66.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 73.1 110.883 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -94.87 27.24 3.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 70.42 110.892 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -119.19 -178.75 3.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 64.2 111.048 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -122.24 -170.11 2.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 72.11 110.911 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -100.82 -44.49 5.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 73.42 110.887 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 9.1 m -119.23 -33.13 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 73.32 111.108 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -64.39 -24.87 67.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 72.11 110.883 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -122.84 -65.61 1.09 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 44.22 110.857 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -56.92 -24.9 55.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 43.14 110.886 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 72.33 25.01 75.42 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.718 -0.753 . . . . 71.44 112.524 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.38 -170.96 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.78 0.324 . . . . 70.12 111.09 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -107.44 165.46 11.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.192 -0.458 . . . . 71.04 110.868 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 51.0 m -52.0 -41.25 62.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 71.41 110.838 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.7 tp -56.66 -33.6 66.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.187 -0.461 . . . . 74.12 110.9 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -64.87 -56.94 10.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 74.42 110.85 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.8 p -52.5 -55.5 21.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 75.4 111.166 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.7 m -57.57 -34.33 46.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 75.32 111.066 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -61.21 -48.19 82.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 75.54 110.856 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 42.2 mt -63.07 -45.61 91.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 73.21 110.899 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 60.9 t -53.01 -50.79 43.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 71.14 111.138 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -47.54 85.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 64.21 110.851 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.99 -34.07 63.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 72.23 111.1 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 80.6 mt -70.65 -51.74 25.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 74.41 110.922 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -70.64 -10.33 59.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 73.22 110.905 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -96.73 -46.13 6.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.462 . . . . 73.14 110.889 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -85.77 -55.57 3.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 75.02 110.904 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -79.64 -2.91 44.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 74.51 110.918 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 50.99 34.17 10.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.088 -0.506 . . . . 73.15 110.847 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.7 p -69.6 -17.79 63.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 73.24 111.165 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 54.64 24.91 5.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 74.1 110.896 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 36.2 mm -44.26 104.15 0.37 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.625 0.726 . . . . 73.54 111.125 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -169.32 0.32 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.724 2.282 . . . . 74.24 112.31 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -68.48 -53.44 23.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 73.0 110.883 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -51.76 -47.9 63.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 73.12 110.863 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -70.79 -37.81 73.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 64.31 110.919 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -52.15 -45.59 65.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.102 -0.499 . . . . 63.13 111.113 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -56.73 -24.92 53.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 74.31 110.88 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.0 mtpp -79.97 -45.65 18.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 74.21 110.883 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 47.2 mm -72.94 77.58 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 73.31 111.147 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 26.1 p -110.03 -15.78 13.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 65.3 111.15 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 47.7 p -122.5 -176.55 3.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.241 -0.436 . . . . 73.42 111.13 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 62.1 t -78.68 -57.89 4.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 74.34 111.128 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -50.25 -38.78 42.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 73.43 110.908 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.31 -51.09 62.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 71.3 111.06 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.9 -57.91 9.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 53.3 111.12 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 1.2 tp -52.86 -35.77 22.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 63.22 111.107 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -67.87 -39.3 83.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.481 . . . . 63.4 110.87 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -65.18 -65.19 0.7 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 74.23 110.905 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 17.4 m -51.03 -42.45 24.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 72.53 111.147 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -62.63 -39.72 94.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 74.2 110.92 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 17.6 t -75.3 -25.84 58.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 63.31 110.87 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 14.3 m80 -105.91 61.75 0.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 75.03 110.876 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 75.2 110.9 -179.938 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.488 -0.245 . . . . 72.14 112.488 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 49.9 mm -112.67 133.19 21.94 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.619 0.723 . . . . 74.25 111.098 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 142.24 47.22 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.723 2.282 . . . . 73.21 112.294 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -56.01 -25.24 43.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 72.22 110.876 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.0 m -65.5 -25.84 67.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 72.25 110.837 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -84.09 -50.05 8.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.478 . . . . 75.2 110.896 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 50.2 mt -58.5 -39.83 76.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 73.41 111.113 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -56.03 -54.88 39.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 72.4 110.891 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -64.85 -37.94 89.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 74.34 110.926 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.9 mmm180 -62.6 -63.36 1.25 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 73.15 110.877 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 39.8 t -50.33 -49.3 23.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 74.43 111.122 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.28 -44.32 92.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 74.41 110.882 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.7 ttmm -51.96 -53.43 41.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 74.21 110.86 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.5 mp -58.18 -54.33 33.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 74.31 111.136 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 57.0 mt -51.07 -30.44 9.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 72.21 111.143 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 97.6 t -78.7 -37.46 20.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 74.4 111.136 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -73.9 -25.49 60.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 74.31 110.918 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 -83.44 -49.15 9.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 71.42 110.909 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 63.3 mt -85.79 -62.69 1.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 74.13 110.902 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 112.11 17.73 8.16 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.754 -0.736 . . . . 71.11 112.493 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 19.7 m -106.87 -174.31 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.843 0.354 . . . . 74.24 111.127 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -80.89 124.73 29.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 75.32 110.831 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -54.89 -26.86 38.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 73.23 110.852 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.93 -54.72 34.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 72.12 111.116 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -51.93 -30.59 25.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 71.42 110.913 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 61.2 t -67.73 104.2 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 75.42 111.161 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.0 mmmt -77.53 146.63 36.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 74.34 110.929 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -70.97 -44.46 65.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 65.0 110.877 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -70.18 -25.88 63.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 75.14 110.874 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.26 165.75 23.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 64.41 111.136 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.3 t -105.68 -172.48 2.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 73.0 110.843 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -86.32 -21.73 27.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 64.31 110.878 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 17.8 m -119.35 -36.22 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 72.53 111.143 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -51.81 -66.61 0.35 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 73.55 110.906 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -91.23 -52.81 4.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 73.5 110.862 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.6 mp -51.71 -37.62 51.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 75.32 110.915 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 78.51 20.99 70.49 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.685 -0.769 . . . . 53.1 112.456 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -78.84 -175.2 4.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.835 0.35 . . . . 51.05 111.091 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -114.63 177.31 4.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 55.25 110.872 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.4 m -52.46 -30.95 32.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 74.44 110.882 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.8 tp -60.17 -42.87 95.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 74.33 110.921 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -58.29 -56.69 18.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 74.22 110.872 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 73.8 p -51.39 -55.71 17.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 75.02 111.101 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 61.5 t -54.54 -38.7 42.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 53.11 111.126 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.47 -46.1 89.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.475 . . . . 75.33 110.886 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 25.7 mt -65.29 -38.8 91.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 74.34 110.884 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 99.2 t -57.24 -58.82 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 71.22 111.128 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 18.0 ptm -57.59 -43.1 84.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 74.34 110.911 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.42 -35.33 69.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 73.42 111.068 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 57.7 mt -69.81 -53.8 16.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 64.5 110.909 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -66.78 -13.11 61.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 73.43 110.849 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -94.02 -48.62 6.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 74.13 110.877 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -81.57 -59.08 2.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.487 . . . . 73.12 110.865 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -72.9 -8.41 55.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 74.34 110.904 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.5 t70 53.62 38.4 28.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 64.44 110.863 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 58.8 p -91.46 163.8 14.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 63.42 111.129 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -94.7 84.94 4.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 73.1 110.885 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 50.4 mm -111.76 77.84 1.99 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.661 0.743 . . . . 73.35 111.122 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -170.65 0.41 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.719 2.279 . . . . 75.32 112.359 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -54.88 -49.71 70.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 71.04 110.917 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -55.37 -63.95 1.0 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 73.03 110.875 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -56.98 -23.32 45.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 73.11 110.901 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -77.69 -28.13 50.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 54.32 111.099 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -79.32 -29.58 42.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 75.42 110.87 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.9 pttt -84.97 -32.61 22.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 71.14 110.891 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 41.3 mm -91.14 81.18 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 75.1 111.121 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.2 t -123.58 12.79 9.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 73.14 111.153 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 19.2 p -135.19 155.29 50.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 75.51 111.153 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 67.2 t -54.06 -60.61 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 74.24 111.179 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -51.31 -40.89 59.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 73.31 110.892 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.07 -46.9 82.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 74.21 111.123 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.84 -56.25 14.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 74.43 111.105 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 4.5 tp -54.93 -32.95 27.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 72.41 111.13 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -69.46 -47.44 63.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 74.23 110.899 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -57.65 -61.38 2.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 75.3 110.908 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 75.2 t -53.17 -51.82 35.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.5 . . . . 54.44 111.129 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -56.71 -32.12 65.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 73.42 110.883 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 34.5 t -80.51 -26.85 37.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 63.21 110.862 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 17.4 m80 -103.51 64.28 0.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.5 . . . . 74.41 110.827 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 73.13 110.856 -179.905 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.492 -0.243 . . . . 44.41 112.492 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 5.2 mp -92.15 132.99 30.98 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.623 0.725 . . . . 73.52 111.126 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 173.9 10.24 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.738 2.292 . . . . 73.44 112.324 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.7 mt -95.79 24.68 5.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 75.24 110.896 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.6 p -116.36 -19.69 10.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 75.14 110.854 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -85.42 -31.96 22.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.075 -0.512 . . . . 73.31 110.872 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 6.6 mt -66.49 -48.14 81.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 72.52 111.121 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -51.19 -48.03 62.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 72.4 110.878 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -65.51 -49.38 69.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 75.11 110.89 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -55.82 -59.89 4.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 75.21 110.918 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 43.2 t -50.11 -59.57 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 70.23 111.09 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -51.66 -46.4 63.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 73.42 110.855 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -49.77 -51.89 35.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 72.31 110.882 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.3 mt -57.9 -58.68 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 74.4 111.112 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.1 mt -52.92 -30.89 16.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 74.54 111.149 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 78.1 t -80.03 -29.59 12.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 74.05 111.108 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -83.0 -20.14 35.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 74.25 110.863 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -91.02 -56.93 2.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 72.31 110.924 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.6 mp -76.63 -59.73 2.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 74.53 110.85 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 127.44 -18.71 6.04 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.739 -0.743 . . . . 71.31 112.47 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.3 m -58.9 -177.37 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.796 0.332 . . . . 71.14 111.119 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -98.31 143.9 28.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.461 . . . . 74.11 110.847 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -62.22 -17.53 58.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 75.12 110.865 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.61 -21.81 25.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 61.34 111.09 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -96.28 25.02 5.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.451 . . . . 75.53 110.93 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 9.2 p -122.69 143.35 35.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 73.31 111.086 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.9 mttm -118.66 173.22 6.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 73.42 110.94 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -92.94 -42.91 9.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 73.15 110.892 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -66.96 -23.04 65.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 71.33 110.899 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.16 177.69 1.0 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 73.43 111.072 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 42.4 t -132.44 170.47 15.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 74.24 110.811 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 11.1 m-30 -73.35 -35.42 66.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.09 -0.504 . . . . 74.24 110.834 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 89.3 t -130.36 -39.3 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 63.41 111.121 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -51.59 -30.25 20.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 71.33 110.867 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -120.42 -61.58 1.56 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 64.14 110.891 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -51.77 -39.65 58.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 75.03 110.863 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 91.7 15.34 55.02 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.719 -0.753 . . . . 73.11 112.46 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.85 -169.62 0.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.771 0.32 . . . . 72.43 111.127 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 42.7 p30 -111.5 165.17 12.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 75.43 110.877 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.0 m -52.0 -31.6 30.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 74.22 110.825 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.4 tp -58.97 -33.68 70.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.168 -0.469 . . . . 75.55 110.913 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -69.16 -46.51 67.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 72.43 110.824 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 59.7 p -63.05 -32.27 73.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 75.14 111.169 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 86.3 t -70.95 -52.69 25.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 74.23 111.114 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -59.75 -32.8 70.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 73.4 110.875 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 60.2 mt -69.72 -56.99 5.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 73.32 110.915 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 97.2 t -50.9 -42.27 23.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 73.4 111.141 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 2.4 mmm -66.88 -44.21 81.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 73.15 110.816 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.25 -30.47 66.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 73.34 111.1 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 52.9 mt -76.1 -55.37 5.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 74.21 110.906 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -61.03 -18.09 55.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 71.34 110.91 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 28.1 tp10 -95.15 -56.41 2.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 75.21 110.886 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -66.52 -57.39 7.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 61.21 110.876 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -76.54 -5.3 47.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 74.45 110.896 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.1 t0 50.66 49.19 21.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 71.22 110.869 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.2 t -108.71 134.37 51.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 70.14 111.167 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -63.04 111.96 2.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 63.41 110.864 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 43.1 mm -131.64 78.05 71.71 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.653 0.74 . . . . 72.44 111.146 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -171.21 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.615 2.21 . . . . 75.42 112.372 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -54.73 -54.09 46.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 72.43 110.873 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -51.92 -64.07 0.93 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 74.05 110.91 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -55.88 -25.35 42.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 75.12 110.869 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.56 -26.11 54.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 73.25 111.09 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -82.61 -27.75 31.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.248 -0.433 . . . . 74.13 110.907 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.1 ptmt -87.43 -32.89 19.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 72.11 110.917 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 32.0 mm -87.46 90.66 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 70.43 111.127 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.8 t -134.49 16.28 3.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.167 -0.47 . . . . 73.44 111.123 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 49.4 p -137.59 178.12 7.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 73.33 111.152 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 61.0 t -74.81 -61.53 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 74.32 111.148 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 22.9 tp60 -50.99 -39.19 55.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 74.24 110.931 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.89 -48.08 72.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 72.32 111.094 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.56 -58.81 4.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 74.55 111.119 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 1.7 tp -51.32 -37.1 17.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 74.5 111.154 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -67.26 -44.02 80.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 73.22 110.902 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -59.93 -64.85 0.8 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 72.13 110.926 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 20.3 m -51.92 -40.03 27.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 73.22 111.132 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -61.71 -45.68 92.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.168 -0.469 . . . . 73.52 110.901 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 39.6 t -70.78 -28.74 64.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 74.53 110.848 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 20.4 m80 -99.08 62.52 1.28 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 74.33 110.854 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 72.4 110.923 -179.924 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.473 -0.251 . . . . 64.03 112.473 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 60.7 mt -114.62 133.06 22.59 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.58 0.705 . . . . 73.25 111.175 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 176.9 6.18 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.711 2.274 . . . . 63.35 112.348 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -97.03 27.84 3.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 73.21 110.948 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.0 m -128.44 -43.83 1.41 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 72.42 110.904 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -54.87 -56.88 14.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.067 -0.515 . . . . 72.53 110.907 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 48.4 mt -54.76 -40.46 51.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 71.14 111.128 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -53.83 -60.94 2.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.484 . . . . 65.1 110.921 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -59.27 -41.45 88.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 74.23 110.906 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -58.67 -65.57 0.64 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 73.02 110.86 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 42.0 t -48.19 -41.15 10.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 71.14 111.128 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.35 -41.34 89.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 71.45 110.874 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.9 ttmt -65.0 -36.36 84.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 73.12 110.92 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 13.6 mm -63.56 -48.89 84.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 71.0 111.144 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.2 mt -67.1 -38.79 81.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 72.24 111.143 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 94.1 t -73.34 -23.64 19.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 73.21 111.132 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -87.06 -26.12 23.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 74.13 110.897 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -89.6 -66.08 0.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 73.22 110.918 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.7 mp -57.42 -48.34 79.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 75.24 110.873 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 108.67 -15.54 34.64 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.715 -0.755 . . . . 75.3 112.473 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 33.7 m -58.28 -175.99 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.804 0.335 . . . . 72.44 111.143 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -96.11 144.24 26.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 74.4 110.86 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -63.26 -16.49 60.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 72.04 110.868 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.93 -18.54 43.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 64.34 111.079 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -99.42 43.02 1.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 74.33 110.885 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 8.1 p -131.06 153.51 39.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 71.1 111.127 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -154.83 159.53 40.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 74.53 110.89 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -80.14 -1.89 42.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 75.51 110.916 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -114.49 22.38 13.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 72.54 110.873 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.98 157.13 19.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 72.34 111.067 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.1 t -91.96 -169.96 2.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 75.35 110.865 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -103.4 -32.88 9.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 73.44 110.88 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 9.3 p -127.48 -36.25 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 73.13 111.113 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -64.31 -28.1 69.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 75.32 110.882 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -110.02 -68.73 0.91 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 72.45 110.919 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 34.8 mt -51.68 -29.95 20.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 72.15 110.909 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 78.32 18.18 76.63 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.76 -0.733 . . . . 74.33 112.486 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.36 -169.66 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.78 0.324 . . . . 74.54 111.086 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -131.23 177.32 7.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 71.33 110.853 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.1 m -51.84 -34.31 39.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 75.14 110.822 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.4 tp -64.46 -43.11 95.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 75.25 110.915 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -63.27 -53.82 46.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 74.34 110.863 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -51.76 -55.28 20.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 74.53 111.156 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 57.3 t -56.12 -44.44 78.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 74.13 111.133 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.51 -39.79 73.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 74.24 110.864 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 37.4 mt -66.03 -50.09 65.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 74.04 110.893 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 96.7 t -51.38 -56.1 6.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 71.2 111.125 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 21.7 ptp -59.8 -37.31 78.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 75.05 110.865 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.65 -33.56 72.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 74.31 111.109 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 95.3 mt -75.27 -57.35 3.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 72.23 110.923 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -59.47 -19.57 48.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 71.41 110.914 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -93.14 -59.71 1.97 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 75.1 110.892 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -64.18 -59.38 4.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 75.14 110.911 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -74.14 -7.53 52.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 73.02 110.876 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 59.15 35.2 23.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.12 -0.491 . . . . 72.41 110.827 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 31.6 p -92.52 176.22 6.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 73.35 111.102 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -112.98 84.59 2.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 74.22 110.9 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 50.8 mt -110.35 82.48 2.73 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.634 0.731 . . . . 74.4 111.137 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 -170.42 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.638 2.226 . . . . 74.35 112.339 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -65.5 -37.65 87.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 72.45 110.838 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -61.12 -51.76 67.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 74.3 110.868 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.64 -28.99 62.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 70.01 110.874 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.12 -44.51 97.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 73.11 111.103 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.73 -21.93 43.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 75.4 110.933 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.8 mtmt -84.74 -50.11 7.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 73.14 110.904 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 43.7 mm -63.93 92.77 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 74.22 111.123 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.9 t -138.64 15.5 2.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 74.33 111.131 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 70.9 p -150.39 153.12 35.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.242 -0.435 . . . . 75.21 111.165 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 30.0 t -53.51 -49.28 55.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 71.2 111.139 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.09 -46.25 91.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 74.13 110.895 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.24 -38.57 89.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 64.12 111.084 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -71.89 -57.99 3.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 75.51 111.121 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 2.4 tp -53.78 -30.6 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 71.41 111.178 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -73.4 -53.45 10.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 63.05 110.812 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -51.81 -53.83 35.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 74.22 110.932 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 66.5 t -60.84 -52.94 55.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 71.32 111.163 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -55.21 -26.66 40.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 70.51 110.924 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.7 t -88.91 -26.99 21.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 73.33 110.876 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 21.7 m80 -96.36 56.68 1.6 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.5 . . . . 75.52 110.849 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 74.24 110.888 -179.931 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.54 -0.224 . . . . 71.23 112.54 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.9 mt 65.28 132.81 0.03 OUTLIER Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.635 0.731 . . . . 74.34 111.13 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 141.85 46.35 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.727 2.285 . . . . 62.52 112.342 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -56.08 -25.12 44.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 74.32 110.951 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.8 p -66.47 -44.99 81.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 75.44 110.862 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -69.9 -46.93 64.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 74.34 110.881 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 63.5 mt -52.17 -53.35 19.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 75.42 111.132 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -52.21 -59.24 4.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 73.3 110.913 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -53.57 -47.04 70.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.49 . . . . 73.12 110.866 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -57.81 -52.05 67.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 73.25 110.9 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 98.7 t -48.47 -56.82 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 73.44 111.103 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 62.3 mmtt -52.26 -48.96 64.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 75.54 110.89 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.1 ttmt -51.59 -54.37 28.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 75.43 110.932 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.9 mt -51.44 -60.45 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 73.53 111.119 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.1 mt -51.83 -29.06 10.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 71.23 111.143 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 78.6 t -79.35 -33.23 15.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 72.22 111.115 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -80.01 -29.24 39.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 72.14 110.884 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -80.6 -51.75 8.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 75.44 110.935 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 65.8 mt -81.53 -51.79 7.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 74.43 110.88 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.09 -16.87 27.38 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.76 -0.733 . . . . 63.2 112.523 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 18.7 m -70.33 -175.02 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.773 0.32 . . . . 55.31 111.143 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -93.59 137.1 33.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 74.12 110.863 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -54.17 -35.84 62.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 74.22 110.9 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.47 -58.76 5.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 73.2 111.071 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -53.04 -39.6 63.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 71.25 110.847 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 62.0 t -66.69 114.1 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 73.44 111.128 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.7 mtmm -92.24 151.24 20.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 75.54 110.843 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -67.99 -31.2 70.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 71.5 110.907 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -96.32 28.21 3.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 71.02 110.911 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -115.01 139.6 49.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 75.13 111.084 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.5 t -83.44 162.49 20.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 73.3 110.903 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -75.77 -17.3 59.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 75.44 110.875 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 25.1 t -123.7 -46.77 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 74.44 111.186 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -57.47 -67.65 0.31 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 70.1 110.889 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -76.23 -63.16 1.39 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 74.01 110.855 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.8 mp -51.74 -74.85 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 71.15 110.929 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 119.89 32.32 1.2 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.755 -0.736 . . . . 72.25 112.44 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -97.91 172.25 7.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.834 0.35 . . . . 72.05 111.077 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -93.88 177.7 5.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 63.43 110.869 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.0 m -52.31 -39.25 60.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 63.11 110.839 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.63 -32.66 30.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 70.34 110.922 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -66.45 -56.26 11.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 70.32 110.854 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 82.8 p -51.71 -56.14 15.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 74.11 111.139 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.7 p -56.2 -38.83 56.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 72.44 111.12 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -57.72 -48.96 78.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 75.44 110.888 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 24.1 mt -60.43 -48.17 82.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 74.34 110.889 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 99.8 t -50.49 -49.73 23.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 72.11 111.103 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 44.4 mtp -59.29 -48.87 80.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 75.24 110.914 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.82 -32.0 59.88 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.236 -0.438 . . . . 75.33 111.072 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.8 mt -72.46 -46.3 55.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 73.34 110.963 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -78.46 -5.47 52.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 73.02 110.848 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -107.02 -24.68 11.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 73.03 110.921 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -108.29 -50.02 3.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 64.21 110.876 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -86.49 -1.29 57.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 74.12 110.861 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.5 t70 51.75 30.18 6.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.129 -0.487 . . . . 73.53 110.897 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.5 t -94.63 122.07 36.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 72.21 111.1 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -64.29 118.55 8.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 63.1 110.867 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 48.1 mt -137.92 82.36 25.81 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.612 0.72 . . . . 64.42 111.14 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -169.31 0.32 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.649 2.233 . . . . 73.54 112.352 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -67.23 -35.37 79.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 73.21 110.832 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -65.52 -44.27 87.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 73.04 110.912 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -80.84 -22.61 39.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.485 . . . . 74.41 110.908 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.94 -46.54 65.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 74.3 111.056 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -52.12 -29.59 22.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.286 -0.415 . . . . 73.11 110.878 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.7 mttp -73.65 -48.6 31.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 75.41 110.86 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 50.3 mm -62.66 112.82 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.277 -0.419 . . . . 74.43 111.131 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 31.9 p -129.95 -38.47 1.45 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 74.42 111.175 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 17.9 p -116.94 170.99 8.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 74.42 111.161 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 23.8 t -57.43 -49.82 79.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 73.21 111.152 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.7 tp60 -51.18 -42.79 61.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 64.31 110.876 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.83 -44.0 97.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 63.43 111.08 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.0 -58.35 4.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 73.41 111.104 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 3.3 tp -52.13 -33.44 16.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 74.1 111.122 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -70.91 -46.74 61.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 72.11 110.846 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -55.54 -55.58 30.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 75.11 110.929 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 23.9 m -62.54 -38.43 81.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.487 . . . . 65.35 111.105 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -66.22 -24.67 66.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 64.31 110.908 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.6 t -93.89 -27.73 16.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 72.44 110.858 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 9.8 m80 -89.42 58.91 4.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 64.2 110.91 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 72.12 110.9 -179.891 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.497 -0.241 . . . . 72.33 112.497 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 50.7 mm -84.11 133.13 46.02 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.659 0.742 . . . . 75.04 111.097 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 143.33 50.29 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.643 2.229 . . . . 74.44 112.368 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.86 -26.64 36.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 74.12 110.903 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.5 p -62.48 -40.03 95.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 61.33 110.868 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -59.75 -58.21 9.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.096 -0.502 . . . . 72.41 110.907 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 60.6 mt -51.87 -38.91 23.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 75.21 111.155 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -59.46 -71.7 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 75.04 110.891 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -50.04 -31.49 13.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.13 -0.486 . . . . 72.43 110.862 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -68.1 -60.79 2.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 74.42 110.857 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 94.2 t -48.31 -36.32 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 71.54 111.159 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 38.3 mmtm -67.63 -55.24 14.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 74.3 110.905 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.8 ptmt -50.98 -32.71 21.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 72.55 110.925 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.4 mt -76.16 -59.88 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 74.33 111.135 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 66.3 mt -55.39 -24.6 15.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 65.22 111.097 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 74.6 t -85.74 -40.67 14.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 74.12 111.141 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -73.07 -18.24 61.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 75.01 110.898 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -96.81 -51.77 4.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 72.21 110.897 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 46.8 mt -78.58 -50.28 11.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 71.23 110.879 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 109.8 -22.91 22.93 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.787 -0.72 . . . . 74.22 112.505 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 20.3 m -64.56 -178.93 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.812 0.339 . . . . 71.41 111.121 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -90.17 132.16 35.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 74.11 110.865 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -52.13 -31.02 29.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 70.1 110.889 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.28 -58.69 4.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 65.5 111.107 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -53.92 -27.88 33.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 74.01 110.878 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 66.7 t -67.11 89.6 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 74.35 111.132 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -59.73 131.16 50.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 71.42 110.905 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -61.72 -42.92 99.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.452 . . . . 74.23 110.881 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -69.28 -23.96 63.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 65.11 110.869 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.89 166.58 21.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 75.31 111.146 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.5 t -107.45 -175.79 2.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.243 -0.435 . . . . 63.21 110.88 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -80.48 -33.22 36.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 75.44 110.923 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 63.9 t -126.19 -39.48 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 74.45 111.137 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -52.48 -29.46 24.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 64.21 110.866 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -118.14 -66.12 1.11 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 62.43 110.874 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.1 mp -51.79 -37.49 51.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 71.42 110.906 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 89.99 15.91 56.96 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.699 -0.762 . . . . 74.23 112.485 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.42 -169.49 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.816 0.341 . . . . 62.34 111.075 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -109.98 -176.55 3.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 72.13 110.822 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.6 t -65.59 -45.33 83.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 71.33 110.827 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.2 tp -51.78 -39.72 59.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.481 . . . . 73.44 110.896 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -55.75 -60.42 3.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.236 -0.438 . . . . 63.2 110.85 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 82.1 p -51.46 -53.76 33.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 71.24 111.14 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 77.6 t -54.45 -45.37 70.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 75.32 111.141 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -53.93 -46.52 71.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 74.03 110.881 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 44.1 mt -60.51 -49.33 78.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 63.11 110.907 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 98.6 t -49.69 -50.25 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 73.3 111.14 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 67.1 mtp -59.87 -45.67 91.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 75.42 110.889 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.69 -33.16 63.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 74.43 111.142 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 83.4 mt -72.07 -50.3 29.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 71.2 110.874 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -73.25 -7.4 51.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 62.4 110.862 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 55.1 tt0 -101.13 -43.52 5.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 72.41 110.879 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -88.85 -50.99 5.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 74.32 110.912 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -85.67 -6.81 59.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 72.04 110.875 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 51.14 37.8 19.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 74.32 110.82 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 43.5 p -86.87 141.24 28.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 62.2 111.15 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -74.76 85.86 2.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 72.45 110.903 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 49.0 mm -110.19 80.23 1.82 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.628 0.728 . . . . 72.12 111.143 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -167.32 0.22 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.662 2.241 . . . . 71.12 112.361 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -63.48 -53.15 56.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 65.14 110.876 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -52.05 -48.1 64.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 73.52 110.939 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -73.02 -24.37 60.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 72.5 110.893 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.32 -24.35 59.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 74.42 111.084 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 -82.38 -29.88 30.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 73.3 110.88 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.6 ptmm? -86.64 -33.38 20.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 75.24 110.897 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 33.2 mm -89.75 77.53 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 75.02 111.125 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.3 t -124.32 13.22 8.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 74.44 111.142 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 15.4 p -132.85 153.2 51.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 71.12 111.17 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 60.5 t -51.41 -60.7 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 74.05 111.172 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -51.84 -42.81 62.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 63.44 110.93 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.33 -45.4 93.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 40.03 111.101 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.94 -58.04 5.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 74.13 111.108 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 3.1 tp -53.73 -32.87 22.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 73.44 111.143 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -70.06 -50.53 40.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 72.51 110.859 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -54.3 -61.01 2.58 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.233 -0.439 . . . . 72.34 110.917 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 39.3 t -53.91 -51.19 47.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.501 . . . . 74.01 111.106 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -52.31 -35.73 51.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 63.22 110.887 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.6 t -80.42 -28.88 37.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 61.14 110.871 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 23.2 m80 -100.85 51.35 0.86 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 72.22 110.886 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.468 . . . . 74.23 110.903 -179.926 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.489 -0.245 . . . . 60.51 112.489 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 5.2 mp -95.8 133.05 26.02 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.639 0.733 . . . . 74.34 111.141 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 175.98 7.37 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.667 2.245 . . . . 60.34 112.346 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -97.99 33.99 2.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 74.34 110.956 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.3 p -130.74 -40.46 1.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 72.32 110.884 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -55.63 -58.51 7.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 71.21 110.898 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 6.8 mt -54.15 -42.2 54.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 72.52 111.077 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -50.8 -54.05 26.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 71.31 110.844 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.9 tp10 -64.1 -32.39 73.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 73.52 110.873 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.55 -66.14 0.59 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 74.51 110.891 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.6 p -49.58 -43.43 18.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 73.32 111.103 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -62.28 -49.06 77.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 75.31 110.88 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -50.92 -48.18 60.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 75.1 110.906 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.0 mt -61.84 -58.39 7.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 72.33 111.111 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.4 mt -51.35 -30.97 11.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 74.22 111.144 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 81.2 t -80.57 -32.61 13.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 74.43 111.113 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -80.3 -18.93 47.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 72.33 110.872 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.3 mm100 -93.27 -58.48 2.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 65.02 110.943 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.6 mp -76.48 -49.03 17.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 74.54 110.871 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 109.36 -20.69 27.62 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.731 -0.747 . . . . 61.31 112.458 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 29.3 m -54.87 172.47 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.875 0.369 . . . . 72.21 111.1 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -83.1 130.09 35.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 65.04 110.836 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -51.97 -30.14 23.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 54.52 110.912 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.75 -58.84 4.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 60.2 111.094 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -54.77 -27.18 39.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 73.51 110.873 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 65.7 t -69.45 87.75 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 72.43 111.113 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -69.79 145.83 51.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 71.33 110.859 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -66.43 -38.31 87.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.463 . . . . 63.31 110.875 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -90.81 52.62 2.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 71.52 110.885 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.85 139.12 30.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 70.33 111.092 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.3 m -80.11 162.75 24.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 43.34 110.882 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -72.57 -23.49 60.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 74.25 110.892 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 60.3 t -127.15 -49.06 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 75.25 111.162 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -53.36 -28.58 29.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 74.31 110.917 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -110.49 -71.26 0.77 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 73.41 110.876 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 30.6 mt -53.9 -61.6 2.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 72.33 110.959 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 120.55 21.97 3.19 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.702 -0.761 . . . . 70.13 112.441 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -72.59 -174.54 1.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.761 0.315 . . . . 74.31 111.076 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -114.46 175.3 5.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 74.2 110.83 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 26.3 t -52.16 -42.76 63.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 60.32 110.832 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.7 tp -56.4 -32.0 64.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 73.24 110.904 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -66.68 -55.62 14.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 72.14 110.843 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 34.6 p -53.05 -54.67 31.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 60.31 111.094 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 27.7 m -57.47 -37.28 56.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 72.24 111.139 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -58.8 -48.38 81.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 72.14 110.852 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 26.9 mt -62.37 -46.16 89.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.45 . . . . 74.23 110.958 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 97.2 t -51.32 -49.29 31.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 74.24 111.089 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.6 mmt -62.42 -45.58 92.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 75.3 110.851 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.37 -29.3 63.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 70.52 111.115 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 77.9 mt -75.59 -55.59 5.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.457 . . . . 73.13 110.958 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -61.82 -17.32 55.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 72.43 110.831 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.5 tm-20 -95.28 -57.09 2.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 74.32 110.903 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -66.86 -55.81 13.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 73.1 110.855 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -79.32 -2.23 40.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 74.23 110.903 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 51.88 39.87 26.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 75.33 110.884 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 38.6 p -96.22 166.02 11.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 74.35 111.123 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -103.38 84.97 2.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 74.4 110.903 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 50.5 mm -111.4 79.48 2.25 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.61 0.719 . . . . 74.31 111.144 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -170.35 0.39 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.706 2.271 . . . . 72.3 112.311 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -54.52 -45.08 73.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 72.11 110.864 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -56.81 -63.98 1.03 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 75.13 110.844 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.12 -18.23 56.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 74.13 110.889 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.38 -31.57 48.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 74.32 111.085 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -75.09 -31.99 61.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 72.41 110.88 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.3 ptmt -82.8 -32.08 27.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 74.45 110.838 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 40.5 mm -92.78 82.62 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 74.21 111.1 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.0 t -125.18 21.19 8.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 72.33 111.135 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 33.9 p -147.68 153.79 39.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 62.45 111.184 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 97.7 t -51.68 -60.56 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.439 . . . . 73.43 111.15 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -51.22 -40.36 58.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 75.31 110.905 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.1 -48.08 77.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 61.45 111.096 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.88 -56.48 15.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 72.42 111.077 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 5.4 tp -54.58 -32.86 25.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 75.41 111.127 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -69.19 -45.97 68.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.446 . . . . 75.14 110.795 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -59.6 -61.6 2.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 74.21 110.935 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 60.8 t -52.58 -50.26 41.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 65.42 111.143 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -58.08 -32.98 68.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 75.44 110.916 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 29.0 t -77.75 -32.44 52.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 74.14 110.89 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 13.0 m80 -99.79 33.58 2.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 75.11 110.875 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 74.03 110.972 -179.976 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.5 -0.24 . . . . 65.42 112.5 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.3 pt -118.67 158.56 47.03 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.613 0.72 . . . . 75.22 111.178 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 5.67 1.58 Allowed 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.688 2.259 . . . . 71.33 112.334 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.9 mt 62.79 20.62 12.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.235 -0.438 . . . . 74.5 110.959 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 p -115.15 -23.16 9.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 63.35 110.867 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -68.47 -56.75 7.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.479 . . . . 72.22 110.908 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 97.1 mt -51.57 -52.08 22.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 74.33 111.167 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -50.91 -53.28 34.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 62.33 110.906 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -58.83 -54.59 45.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 74.11 110.908 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.8 mtp85 -51.52 -53.84 33.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 63.11 110.855 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 95.1 t -48.65 -58.63 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 73.34 111.114 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 39.0 mmtm -51.13 -47.21 62.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 74.42 110.889 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.7 ttpt -51.89 -56.14 15.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 70.43 110.889 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.0 mt -50.68 -56.58 4.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.454 . . . . 74.33 111.108 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.1 mt -54.82 -28.26 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 65.13 111.123 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 79.4 t -82.16 -24.93 9.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 74.21 111.136 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -91.53 -15.83 28.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 73.2 110.883 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -96.26 -53.54 3.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 72.2 110.922 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -83.87 -36.98 23.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.236 -0.438 . . . . 74.13 110.886 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.09 -18.92 55.81 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.742 . . . . 72.31 112.496 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 20.4 m -58.8 178.65 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.837 0.351 . . . . 71.24 111.122 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -83.41 139.34 33.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 75.3 110.909 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -63.37 -24.84 68.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 71.34 110.878 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.92 -63.24 1.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 71.1 111.134 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -52.08 -29.89 23.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 73.41 110.902 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 90.4 t -69.94 101.13 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 65.14 111.159 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 52.6 mttt -98.59 173.27 7.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 71.01 110.904 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -95.33 14.0 23.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 52.44 110.891 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -123.16 23.75 9.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 75.13 110.897 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -124.52 -175.02 3.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 72.43 111.124 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.4 m -128.59 -169.8 2.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 75.34 110.846 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -100.65 -40.92 7.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 73.43 110.915 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.6 p -122.93 -34.74 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 71.14 111.126 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -60.52 -26.15 66.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 62.55 110.876 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -123.11 -65.77 1.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 64.13 110.898 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -51.83 -36.84 49.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 74.52 110.965 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.32 18.56 57.07 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.726 -0.749 . . . . 65.14 112.462 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.95 -169.55 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.807 0.337 . . . . 75.4 111.076 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -108.42 -176.96 3.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 72.43 110.888 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.6 t -66.44 -38.03 86.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 75.33 110.888 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.9 tp -56.65 -35.2 68.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 74.41 110.953 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -61.99 -59.63 4.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 45.42 110.907 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 19.0 p -51.45 -53.06 40.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 63.34 111.153 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 57.7 t -57.67 -35.62 51.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 70.32 111.139 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -61.27 -49.87 75.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 75.25 110.93 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 23.0 mt -62.99 -46.3 88.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.096 -0.502 . . . . 74.41 110.905 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 91.2 t -51.2 -50.88 24.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 74.21 111.089 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 16.1 mtp -60.42 -49.37 77.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 73.53 110.878 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.43 -29.17 48.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 63.4 111.049 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.8 mt -75.66 -49.31 18.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 74.44 110.942 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -73.81 -7.02 50.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 73.51 110.86 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -104.6 -42.26 5.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 74.1 110.867 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -87.13 -45.72 10.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 75.54 110.875 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -94.52 -1.58 53.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 74.22 110.851 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 50.95 30.78 5.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 62.1 110.877 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.0 t -91.36 120.03 31.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 73.12 111.142 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -59.4 134.94 57.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.43 . . . . 75.2 110.879 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 32.6 mm -144.49 81.99 10.79 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.577 0.703 . . . . 71.3 111.15 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -165.84 0.17 Allowed 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.627 2.218 . . . . 71.54 112.376 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -69.72 -52.15 28.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 75.32 110.903 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -54.39 -32.4 57.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 75.23 110.914 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -89.59 -24.93 21.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 73.42 110.941 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.18 -25.58 61.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 73.1 111.139 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -80.25 -34.51 37.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 72.0 110.864 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.7 pttp -81.3 -32.84 32.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 74.41 110.895 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 48.6 mm -89.83 95.05 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 74.43 111.192 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 80.7 p -141.17 20.45 2.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 73.15 111.145 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 17.7 p -144.84 167.8 21.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.182 -0.463 . . . . 74.44 111.118 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 67.8 t -61.45 -60.5 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 72.0 111.162 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 8.2 tp60 -50.7 -45.04 58.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 64.32 110.893 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.61 -42.9 97.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 73.31 111.107 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.02 -59.61 2.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 74.44 111.153 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 5.4 tp -52.36 -34.64 18.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 73.34 111.114 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -69.95 -46.01 66.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.45 . . . . 74.33 110.848 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -56.74 -59.02 5.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 75.01 110.926 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 21.3 m -58.96 -39.1 77.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 73.1 111.121 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -58.67 -38.82 79.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 73.43 110.893 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 65.0 p -81.39 -26.38 35.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 72.31 110.875 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 17.4 m80 -97.83 60.94 1.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 74.42 110.826 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 71.31 110.927 -179.937 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.488 -0.245 . . . . 70.12 112.488 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 62.5 mt -105.14 133.09 20.33 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.629 0.728 . . . . 74.55 111.12 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 174.88 8.89 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.687 2.258 . . . . 74.23 112.346 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.4 mt -95.77 26.05 4.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.439 . . . . 74.14 110.914 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.4 t -126.46 -38.27 2.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 74.2 110.85 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -63.02 -50.78 69.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 72.12 110.882 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 55.7 mt -51.33 -52.54 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 74.3 111.135 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -50.56 -54.75 20.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 74.31 110.907 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -58.76 -50.35 74.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 73.23 110.876 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -54.96 -62.92 1.34 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 74.44 110.898 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 45.3 t -45.71 -55.14 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 71.24 111.157 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.4 mmtp -50.2 -39.14 43.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 74.32 110.85 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.5 ttmt -66.36 -36.2 82.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 71.43 110.938 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 9.6 mm -63.11 -50.19 80.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 72.11 111.118 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.6 mp -64.21 -37.62 80.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 74.54 111.117 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 98.8 t -74.69 -23.63 17.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 64.05 111.132 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -89.29 -25.62 21.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 74.52 110.887 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -91.33 -65.1 1.04 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 73.02 110.913 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 58.2 mt -61.02 -49.17 78.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.464 . . . . 63.11 110.897 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.58 19.26 20.89 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.732 -0.747 . . . . 71.25 112.485 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 26.8 m -107.31 -178.7 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.835 0.35 . . . . 73.4 111.104 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -88.7 141.19 28.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 64.24 110.844 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -52.17 -31.91 33.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 72.11 110.902 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.59 -30.09 19.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 74.21 111.098 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -68.48 -41.32 80.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 74.01 110.912 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 57.5 t -65.55 100.7 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 74.53 111.141 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.6 mttp -92.93 -0.14 57.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 71.23 110.894 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 20.8 m120 59.25 19.53 7.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 72.11 110.838 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -129.92 7.78 5.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 74.2 110.881 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -127.41 -177.17 3.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 71.45 111.054 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.3 m -112.75 -177.56 3.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 71.02 110.837 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -84.14 -33.64 24.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 73.44 110.861 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 9.1 p -121.63 -33.83 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 73.01 111.165 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -63.39 -22.98 67.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 75.35 110.877 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -120.12 -74.01 0.63 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 74.41 110.894 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 44.1 mt -51.54 -33.89 34.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 63.32 110.875 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 85.52 21.09 55.16 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.723 -0.751 . . . . 73.44 112.496 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.72 -169.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.823 0.344 . . . . 62.51 111.085 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -113.48 -179.23 3.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 75.12 110.876 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 40.7 m -63.42 -38.08 89.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 64.02 110.862 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.0 tp -57.99 -34.92 70.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 70.25 110.941 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -66.71 -59.31 3.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 60.54 110.895 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 41.0 p -51.71 -52.87 45.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 72.42 111.15 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 58.1 t -58.37 -38.96 72.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 71.41 111.151 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -58.01 -46.47 85.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 74.14 110.892 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 30.6 mt -62.69 -49.41 75.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 75.14 110.923 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 98.0 t -51.24 -50.49 26.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 74.34 111.143 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.09 -41.07 95.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 74.14 110.903 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.63 -33.17 71.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 74.35 111.103 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 75.9 mt -72.84 -56.33 5.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 74.24 110.93 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.42 -12.98 57.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 73.11 110.918 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -94.37 -52.98 4.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 74.31 110.926 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.56 -57.25 3.96 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.17 -0.468 . . . . 73.11 110.905 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -75.18 -5.94 47.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 74.3 110.863 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 52.09 37.51 21.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 75.43 110.82 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 50.9 p -87.93 165.27 15.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 71.02 111.152 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -98.44 85.17 3.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 75.54 110.909 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 51.4 mm -111.62 77.8 1.89 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.6 0.714 . . . . 74.12 111.146 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -170.15 0.37 Allowed 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.732 2.288 . . . . 71.35 112.343 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -53.74 -48.98 69.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 73.33 110.883 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 82.0 mt-10 -54.42 -66.84 0.33 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 74.02 110.904 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -55.28 -25.65 35.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 74.3 110.85 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.31 -28.48 61.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 71.2 111.102 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -79.01 -33.98 44.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 74.33 110.892 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -81.06 -32.65 33.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 75.54 110.908 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 30.6 mm -90.06 85.23 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 64.43 111.167 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.0 t -128.07 19.75 6.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 63.35 111.175 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 16.9 p -139.74 175.87 9.21 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.185 -0.462 . . . . 73.45 111.129 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 16.4 t -73.19 -63.33 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 65.13 111.126 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -50.81 -39.19 52.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 60.53 110.863 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.02 -43.83 94.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 73.04 111.104 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.91 -57.23 5.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 73.15 111.107 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 6.5 tp -53.91 -33.89 24.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 75.41 111.11 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -69.52 -50.22 47.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 63.51 110.877 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -54.11 -62.42 1.67 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 73.24 110.877 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 85.2 t -52.69 -50.57 40.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.49 . . . . 74.1 111.179 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -58.62 -26.5 63.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 71.24 110.855 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.9 t -83.88 -35.62 23.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 61.01 110.87 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 17.1 m80 -96.95 54.59 1.27 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.082 -0.508 . . . . 63.35 110.856 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 71.13 110.949 -179.956 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.484 -0.247 . . . . 53.31 112.484 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 66.0 mt -104.44 133.11 20.37 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.68 0.752 . . . . 75.14 111.103 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 175.25 8.42 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.693 2.262 . . . . 71.34 112.337 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -95.89 29.31 2.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.232 -0.44 . . . . 74.2 110.873 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 m -128.1 -38.97 1.77 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 72.45 110.826 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -61.4 -55.04 35.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 71.54 110.873 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 31.5 mt -51.59 -43.37 32.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 74.31 111.175 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -52.13 -58.46 6.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.463 . . . . 74.5 110.926 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 23.2 tp10 -60.03 -41.75 92.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 74.31 110.881 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.9 mmp_? -59.35 -65.89 0.6 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 73.24 110.876 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 39.9 t -45.79 -47.5 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 70.23 111.139 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -51.67 -52.77 45.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 73.53 110.886 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.3 ttmm -54.04 -38.64 65.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.424 . . . . 72.53 110.901 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 11.8 mm -59.62 -64.32 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 74.33 111.127 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.3 mp -51.32 -28.82 8.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 74.31 111.104 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 78.4 t -72.78 -54.53 15.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 75.23 111.133 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -60.29 -24.78 65.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 72.34 110.88 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.0 mm100 -82.84 -48.42 10.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 74.23 110.954 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.9 mp -89.17 -75.46 0.44 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 73.41 110.931 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 137.4 -17.04 3.56 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.738 -0.744 . . . . 52.43 112.489 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 22.7 m -60.11 -179.15 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.835 0.35 . . . . 74.03 111.125 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.55 127.76 34.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 71.33 110.863 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.41 -29.92 26.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 74.15 110.888 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.74 -45.9 84.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 75.22 111.111 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -60.85 -29.98 69.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 74.43 110.892 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 24.5 t -66.84 118.4 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 65.32 111.13 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.9 mtmt -104.25 165.97 10.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 75.55 110.887 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -77.04 -26.86 54.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 73.4 110.871 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -95.75 25.53 4.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 74.25 110.856 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.63 156.56 16.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 70.23 111.098 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.3 t -91.29 -169.61 2.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 70.21 110.864 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.3 m-30 -108.0 -22.59 12.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 74.04 110.867 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 19.1 m -135.13 -39.73 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.472 . . . . 73.33 111.128 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -64.58 -27.14 68.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 62.23 110.902 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -109.55 -44.2 3.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 72.44 110.862 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 14.7 mt -77.0 -4.37 43.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 74.12 110.945 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 61.75 15.8 49.24 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.684 -0.77 . . . . 71.04 112.506 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -80.98 -170.69 2.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.821 0.343 . . . . 74.43 111.077 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -135.13 -77.78 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 74.44 110.849 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.8 m -133.1 -40.76 0.91 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 74.24 110.88 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.2 pp -51.64 -31.15 24.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 74.31 110.931 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -69.16 -65.52 0.7 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 71.52 110.886 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 42.4 p -49.29 -40.94 36.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 71.34 111.109 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 79.3 t -61.99 -50.06 81.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 74.25 111.102 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.05 -38.28 90.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 74.23 110.855 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 57.6 mt -67.64 -59.23 3.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.184 -0.462 . . . . 74.41 110.931 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 89.3 t -50.42 -43.55 22.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 74.43 111.142 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 7.9 mtt -70.57 -41.37 72.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 75.31 110.868 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.54 -25.57 66.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 72.12 111.107 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 84.3 mt -83.9 -55.69 4.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 72.22 110.915 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -59.41 -20.49 55.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 73.23 110.888 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 -92.5 -56.83 2.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 74.33 110.917 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 25.8 tp10 -66.55 -61.62 1.89 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 75.31 110.951 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -70.5 -10.92 60.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 74.3 110.885 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 59.46 41.2 19.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 75.25 110.836 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 76.0 p -99.17 166.91 11.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 75.41 111.087 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -101.63 85.57 2.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 74.51 110.879 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 48.1 mm -111.33 79.07 2.04 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.616 0.722 . . . . 73.3 111.146 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -170.91 0.42 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.71 2.274 . . . . 71.44 112.327 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -54.57 -47.12 73.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 72.1 110.851 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -55.38 -63.91 1.01 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 74.01 110.87 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -60.59 -19.12 56.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 73.35 110.874 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.28 -29.12 47.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 75.25 111.101 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -78.76 -34.74 45.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 73.52 110.886 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.1 pttt -76.39 -36.03 58.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 74.32 110.904 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 38.6 mm -84.18 82.83 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 73.51 111.145 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 44.0 p -124.49 21.97 8.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 64.35 111.127 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 40.1 p -152.15 151.8 31.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 75.03 111.085 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 42.3 t -51.26 -58.25 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 75.04 111.119 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.26 -44.94 61.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 75.11 110.884 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.11 -47.59 85.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 71.45 111.149 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.76 -59.33 4.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 74.2 111.119 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 2.7 tp -53.12 -32.37 18.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 74.42 111.078 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -70.48 -41.47 72.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 64.5 110.869 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -61.38 -57.73 11.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 73.01 110.927 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 58.2 t -59.59 -37.87 72.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 73.14 111.1 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -75.05 -18.53 60.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 63.45 110.867 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 46.9 t -92.81 -22.68 19.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 73.12 110.866 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 5.5 m80 -97.23 -39.05 9.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 75.31 110.86 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 72.31 110.91 -179.934 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.469 -0.253 . . . . 72.41 112.469 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.3 mp -93.18 131.84 32.04 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.628 0.728 . . . . 70.32 111.109 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 5.05 1.83 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.69 2.26 . . . . 75.43 112.341 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.9 mt 62.87 16.52 9.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 75.42 110.947 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 m -115.84 -22.47 9.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 71.24 110.885 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -71.53 -55.84 7.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 75.14 110.921 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 24.4 mt -52.39 -44.9 44.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 74.22 111.117 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -50.85 -63.91 0.98 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 70.14 110.888 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -56.64 -37.03 70.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 73.22 110.938 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.6 tpp180 -60.02 -67.14 0.42 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 71.42 110.827 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 39.8 t -48.85 -55.31 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 74.04 111.129 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 37.7 mmtm -50.59 -39.49 49.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 62.44 110.923 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.3 ttpt -61.03 -50.45 73.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 73.21 110.9 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.8 mp -61.05 -46.23 97.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 71.31 111.154 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 50.1 mt -60.21 -32.84 51.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 74.14 111.164 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 92.6 t -84.09 -24.42 7.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 75.42 111.112 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -87.5 -17.39 32.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 72.3 110.873 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -98.29 -47.49 5.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 75.32 110.919 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 58.1 mt -87.97 -43.24 11.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 74.13 110.952 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.3 -17.67 43.38 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.743 -0.742 . . . . 74.44 112.469 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 18.4 m -60.62 -173.33 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.817 0.341 . . . . 73.44 111.139 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -98.62 144.08 28.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 74.35 110.847 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -70.27 -10.84 60.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 73.15 110.894 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.16 -37.41 18.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 61.14 111.116 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -76.65 -36.08 57.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 73.22 110.964 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 9.7 p -62.98 136.51 25.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.093 -0.503 . . . . 71.21 111.145 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 68.6 mmtt -103.98 -174.82 2.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 72.02 110.908 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -109.68 -43.55 4.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 75.43 110.883 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -66.79 -34.1 77.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 74.33 110.91 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.3 162.0 18.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 75.4 111.092 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.1 m -104.82 -179.34 3.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 73.23 110.872 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -76.91 -25.68 53.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 71.42 110.902 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.7 m -127.71 -39.35 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 74.21 111.159 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -51.8 -34.38 39.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 71.44 110.868 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -117.79 -60.58 1.79 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 74.14 110.829 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.3 mp -54.91 -26.57 36.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 70.05 110.891 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 70.07 22.52 77.27 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.75 -0.738 . . . . 71.12 112.499 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.55 -170.02 0.37 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.789 0.328 . . . . 64.34 111.116 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -113.47 170.18 8.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 72.34 110.834 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -52.98 -33.71 52.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 73.34 110.866 -179.763 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.3 tp -59.28 -40.13 85.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 63.42 110.936 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -60.65 -56.8 16.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 74.04 110.869 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 62.6 p -51.17 -53.31 35.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 75.12 111.155 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 48.1 t -55.48 -38.44 49.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.229 -0.441 . . . . 74.25 111.114 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -60.85 -46.26 91.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 71.25 110.898 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 32.1 mt -65.71 -47.74 74.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 72.43 110.916 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 61.2 t -51.07 -48.39 30.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 63.32 111.102 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.03 -50.81 69.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 71.3 110.892 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.95 -25.9 32.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 54.35 111.1 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 65.2 mt -78.07 -52.59 8.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 73.33 110.904 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.28 -12.97 61.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 73.23 110.845 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -99.05 -48.62 4.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 74.14 110.893 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -77.56 -54.7 6.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 74.03 110.865 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -80.82 -4.95 56.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 74.44 110.939 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 50.86 41.56 26.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 64.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.7 t -101.74 129.13 47.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 75.21 111.167 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -62.66 115.51 4.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 75.21 110.861 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 38.7 mm -134.49 78.19 57.39 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.612 0.72 . . . . 71.42 111.151 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -176.3 1.46 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.684 2.256 . . . . 73.3 112.334 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -52.72 -49.1 66.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 75.34 110.884 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -53.48 -68.39 0.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 75.32 110.863 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -54.83 -26.17 33.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 64.31 110.844 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.23 -29.04 63.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 72.23 111.102 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -77.68 -34.05 53.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 74.23 110.894 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.9 ptmt -82.83 -32.78 27.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 74.02 110.883 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 38.7 mm -89.85 85.82 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 75.52 111.173 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 39.8 p -129.71 23.21 5.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 74.31 111.169 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 19.3 p -141.6 171.69 13.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.186 -0.461 . . . . 72.31 111.126 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 92.3 t -70.26 -62.44 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.259 -0.428 . . . . 73.2 111.155 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -50.08 -39.01 41.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 73.43 110.899 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.95 -47.97 72.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 73.23 111.122 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.52 -55.03 27.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 74.11 111.053 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 1.2 tp -55.6 -35.85 40.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 65.22 111.136 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -69.05 -37.68 78.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 50.22 110.865 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -64.96 -62.93 1.26 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 64.25 110.946 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 17.0 m -54.34 -41.71 54.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 75.23 111.08 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -68.5 -28.62 67.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 53.2 110.911 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.1 t -81.08 -32.86 33.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 63.34 110.857 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 8.3 m80 -92.77 60.1 3.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 75.11 110.832 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 70.45 110.9 -179.915 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.463 -0.255 . . . . 70.2 112.463 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.5 mp -77.01 133.08 69.7 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.667 0.746 . . . . 75.21 111.147 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 141.28 44.83 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.717 2.278 . . . . 74.14 112.348 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -56.59 -24.97 51.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 72.14 110.898 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.3 p -65.31 -43.56 90.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 65.01 110.837 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -57.74 -57.95 10.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 65.2 110.9 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 44.1 mt -57.09 -36.77 52.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 74.11 111.125 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -55.92 -54.95 38.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 75.43 110.843 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 49.9 tt0 -62.98 -36.21 82.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 74.3 110.862 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.6 mtp85 -65.08 -63.52 1.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 75.54 110.895 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 38.3 t -49.87 -57.55 2.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 73.14 111.138 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.2 mmtp -50.55 -47.92 57.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 74.35 110.9 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.8 ttpt -50.17 -55.39 15.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 75.41 110.905 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.9 mp -52.73 -59.19 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 71.55 111.084 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.9 mp -52.89 -36.03 22.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 72.2 111.169 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 72.2 t -74.1 -25.08 19.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 73.54 111.14 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.9 mm-40 -87.55 -25.03 23.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 72.24 110.915 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -87.39 -65.35 1.02 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 75.31 110.946 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -55.77 -47.48 76.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 73.03 110.875 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 107.28 -16.87 37.98 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.769 -0.729 . . . . 55.12 112.485 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 26.0 m -66.61 173.34 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.863 0.364 . . . . 71.22 111.094 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.66 139.69 31.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 74.12 110.89 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -61.24 -18.17 57.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 75.23 110.9 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.2 -25.44 31.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 72.02 111.077 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -98.06 34.32 1.96 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 71.24 110.922 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.8 p -134.39 150.55 30.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 70.5 111.15 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.0 mttm -133.35 169.48 16.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 64.34 110.922 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -83.15 -24.98 32.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.268 -0.423 . . . . 72.22 110.896 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -81.27 -8.48 59.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 74.55 110.898 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.24 -169.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 73.1 111.112 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.0 m -132.19 -176.45 4.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 72.03 110.826 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.1 m-30 -100.12 -12.68 19.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 74.22 110.881 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.0 p -157.72 -45.0 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 75.41 111.102 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -55.68 -27.03 47.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 73.45 110.842 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -110.67 -61.74 1.63 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 64.33 110.892 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -51.23 -63.43 1.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 72.21 110.906 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 126.68 3.04 6.62 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.729 -0.748 . . . . 74.32 112.494 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.8 -168.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.818 0.342 . . . . 73.42 111.092 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -131.05 -79.09 0.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 71.44 110.833 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.4 t -140.83 -43.75 0.39 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 72.41 110.83 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -53.43 -28.38 29.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 70.41 110.92 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -70.37 -60.18 2.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 75.21 110.874 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.0 p -48.7 -51.12 30.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.14 -0.482 . . . . 75.14 111.147 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 30.7 m -62.86 -38.05 80.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 74.23 111.123 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -60.13 -53.29 59.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 71.13 110.849 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 16.2 mt -57.24 -48.31 79.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 72.43 110.907 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 97.8 t -50.93 -48.66 28.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 64.43 111.101 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 3.4 mtt -61.77 -46.88 87.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 75.23 110.832 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.38 -29.64 61.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 64.23 111.08 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 81.8 mt -74.87 -54.91 6.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 73.22 110.935 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -64.09 -15.13 58.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 74.51 110.909 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -96.28 -55.71 2.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 75.25 110.888 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -69.44 -54.81 12.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.473 . . . . 74.05 110.848 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -81.22 -0.62 41.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 73.54 110.887 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 51.19 35.57 13.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 55.3 110.849 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 62.3 p -91.85 172.57 8.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.468 . . . . 72.33 111.133 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -114.54 86.44 2.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 71.32 110.898 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 51.3 mm -111.58 78.11 1.95 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.604 0.716 . . . . 75.3 111.147 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -174.25 0.87 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.672 2.248 . . . . 71.32 112.34 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -51.36 -40.35 58.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 64.4 110.863 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -56.61 -75.12 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 72.14 110.867 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -53.8 -27.57 30.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 73.41 110.912 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.66 -44.98 95.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 64.0 111.094 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -59.41 -20.67 56.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 74.32 110.91 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.34 -45.6 10.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 74.25 110.946 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 50.2 mm -71.82 84.41 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 74.31 111.17 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 10.8 t -126.81 21.94 6.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 72.44 111.156 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -161.31 152.54 18.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 75.1 111.126 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.9 t -51.71 -58.65 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 75.25 111.075 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -51.63 -40.58 60.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 75.11 110.942 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.87 -46.55 81.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 72.44 111.119 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.9 -54.78 25.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 61.33 111.073 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 1.6 tp -56.57 -32.58 37.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 74.22 111.177 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -68.35 -49.08 62.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 74.02 110.885 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -58.03 -59.95 4.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 75.14 110.909 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 67.1 t -53.23 -45.74 55.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 73.44 111.134 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -64.86 -29.16 70.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 73.23 110.896 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.4 t -78.58 -33.47 47.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 75.15 110.835 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 7.9 m80 -94.2 59.45 2.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 71.43 110.85 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 11.5 mm-40 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 73.44 110.879 -179.926 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.482 -0.247 . . . . 73.01 112.482 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.1 pp -124.04 159.18 57.76 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.594 0.711 . . . . 73.25 111.157 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 0.19 6.03 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.628 2.219 . . . . 55.34 112.353 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 62.45 17.59 9.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 72.11 110.936 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.2 t -122.59 -8.32 8.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 72.4 110.896 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -92.25 -38.78 11.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 73.33 110.875 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 32.9 mt -63.99 -49.06 83.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 73.34 111.134 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -52.91 -47.83 67.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 71.33 110.917 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -62.46 -46.33 88.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 74.14 110.903 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.02 -63.41 1.31 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 74.54 110.851 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 96.5 t -47.03 -41.28 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 65.44 111.091 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.27 -45.84 82.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 74.53 110.874 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 pttt -56.71 -32.86 65.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 75.3 110.878 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mp -72.49 -54.75 15.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 74.24 111.11 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.2 mt -59.89 -27.62 38.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 74.14 111.13 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 87.7 t -83.47 -32.83 9.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 75.31 111.164 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -83.19 -18.03 40.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.149 -0.478 . . . . 75.54 110.886 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 37.1 mm-40 -94.83 -51.52 4.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 74.01 110.932 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 58.2 mt -79.01 -61.86 1.88 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 74.24 110.882 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 127.22 -20.42 5.91 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.802 -0.713 . . . . 63.31 112.525 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 19.2 m -62.31 -174.55 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.845 0.355 . . . . 74.2 111.119 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -98.44 140.65 32.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 73.03 110.875 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -57.08 -24.11 51.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.436 . . . . 74.23 110.905 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.19 -24.36 37.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.11 -0.496 . . . . 64.12 111.113 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -80.44 -42.54 22.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 72.42 110.899 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 10.2 p -51.56 147.98 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 72.43 111.081 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 60.3 mttt -119.5 131.89 55.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 75.44 110.907 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -63.19 -45.89 89.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 74.4 110.914 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -88.37 58.58 4.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 64.03 110.904 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -144.85 -179.7 6.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 72.1 111.123 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.04 160.7 21.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 74.33 110.878 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -75.73 -14.84 60.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 75.53 110.854 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 5.4 t -120.88 2.3 6.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 74.3 111.16 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -107.48 -64.07 1.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 71.4 110.869 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -71.08 -45.61 63.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 55.35 110.84 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -91.15 -27.14 18.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 73.03 110.935 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.49 41.97 96.01 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.744 -0.741 . . . . 71.32 112.495 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -89.39 174.83 7.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.795 0.331 . . . . 61.52 111.096 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -92.04 -175.82 4.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 71.34 110.84 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.4 m -61.15 -38.02 84.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 71.34 110.851 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.62 -34.31 50.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 74.22 110.943 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -64.86 -57.48 8.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 74.4 110.882 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 68.8 p -51.29 -52.83 41.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 70.45 111.134 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 60.9 t -57.62 -40.15 73.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 75.21 111.127 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -57.55 -46.54 83.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.142 -0.481 . . . . 72.31 110.872 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 27.8 mt -62.31 -48.39 80.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.204 -0.453 . . . . 72.1 110.936 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 87.7 t -51.29 -46.88 34.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 71.14 111.124 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 19.5 mtp -61.84 -49.55 75.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 74.34 110.933 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -53.71 -33.41 55.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 53.45 111.06 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 79.3 mt -71.38 -51.39 24.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 75.04 110.931 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -71.38 -8.78 56.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 74.41 110.882 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -98.42 -45.94 5.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 73.44 110.867 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -86.37 -53.68 4.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 73.31 110.897 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 -82.2 -3.72 55.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 74.31 110.87 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.8 t0 51.33 30.01 5.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.475 . . . . 73.2 110.889 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.0 t -80.64 141.72 34.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 73.22 111.135 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -80.49 90.75 5.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 73.13 110.945 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 46.6 mt -118.6 82.35 19.66 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.636 0.732 . . . . 73.54 111.153 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -170.5 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.693 2.262 . . . . 62.43 112.343 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -54.97 -51.77 65.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 72.54 110.916 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -53.48 -63.68 1.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 71.54 110.912 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -57.32 -23.38 48.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 74.14 110.915 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.14 -29.22 57.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 72.4 111.093 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -77.35 -32.92 55.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 71.13 110.909 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 52.5 pttt -81.08 -32.13 34.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 74.52 110.897 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 47.1 mm -91.23 83.58 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 72.54 111.126 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.1 t -123.21 19.39 9.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 71.0 111.069 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 16.8 p -139.69 156.74 46.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 74.34 111.102 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 60.5 t -55.8 -61.47 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 75.34 111.177 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 10.8 tp60 -50.35 -42.29 52.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 72.53 110.92 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.71 -45.47 89.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 64.41 111.061 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.63 -56.02 14.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 73.44 111.115 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 1.4 tp -55.8 -34.72 37.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 75.03 111.128 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -70.91 -37.77 72.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 75.42 110.881 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -64.1 -59.15 4.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 74.43 110.88 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 18.7 m -58.79 -40.58 80.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 74.03 111.099 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -65.8 -30.98 71.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 72.55 110.855 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 30.7 t -84.8 -26.18 27.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 72.21 110.852 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 9.6 m80 -93.29 58.5 2.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 75.44 110.865 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 72.12 110.91 -179.949 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.494 -0.242 . . . . 51.14 112.494 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.8 mt -125.12 131.09 24.01 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.672 0.749 . . . . 73.14 111.107 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 2.81 3.19 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.705 2.27 . . . . 74.12 112.313 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.1 mt 67.82 20.9 9.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 74.25 110.923 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.7 t -116.38 -23.7 8.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 74.11 110.868 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -81.28 -43.59 18.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 64.31 110.864 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 19.9 mt -52.4 -47.47 46.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 74.05 111.126 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -51.05 -46.61 61.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 74.12 110.876 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 47.5 tt0 -64.87 -44.63 89.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 71.23 110.933 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -61.52 -60.54 3.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.128 -0.487 . . . . 74.33 110.894 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 44.1 t -48.88 -48.19 16.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 74.24 111.104 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.1 -43.72 98.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 75.44 110.917 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.4 ttpt -54.49 -41.63 69.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 74.41 110.888 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.4 mp -66.66 -54.22 27.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 75.52 111.09 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.5 mt -59.48 -29.51 42.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 65.14 111.146 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 79.2 t -84.99 -25.22 6.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 73.5 111.151 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -89.75 -13.53 36.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 74.35 110.907 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -107.1 -56.39 2.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 74.14 110.897 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 39.4 mt -80.0 -28.7 39.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 71.32 110.912 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.67 -21.82 41.12 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.765 -0.731 . . . . 73.24 112.481 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 17.4 m -53.95 162.82 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.769 0.319 . . . . 62.2 111.172 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -86.82 145.59 26.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.448 . . . . 75.05 110.865 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -57.16 -23.62 48.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 70.14 110.862 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.19 -42.13 14.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 63.45 111.091 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -66.94 -39.82 87.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 74.41 110.825 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 10.0 p -51.64 140.12 6.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 74.33 111.11 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -105.77 134.59 48.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 72.12 110.899 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -77.92 -34.82 51.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 63.05 110.845 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -93.24 42.31 1.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 72.54 110.874 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -137.26 157.78 45.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 71.5 111.088 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.0 m -91.96 -171.7 2.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 64.21 110.84 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -99.67 -27.68 13.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 75.45 110.863 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 12.6 m -120.67 -34.17 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 73.15 111.174 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.65 -25.1 61.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 64.3 110.89 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -114.24 -74.52 0.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 75.23 110.816 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 23.3 mt -51.89 -29.75 21.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 63.15 110.942 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 75.95 35.51 44.46 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.719 -0.753 . . . . 71.4 112.451 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -87.1 -174.2 4.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.831 0.348 . . . . 71.24 111.083 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -104.62 171.55 7.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.429 . . . . 62.4 110.875 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.0 t -54.68 -33.52 60.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 60.34 110.848 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.5 -39.42 80.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 72.3 110.94 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -61.24 -56.96 14.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.158 -0.474 . . . . 62.54 110.889 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 74.9 p -50.8 -52.35 41.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.15 -0.477 . . . . 62.3 111.156 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 72.5 t -56.79 -38.37 58.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.446 . . . . 74.32 111.1 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -60.69 -45.24 94.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 75.15 110.887 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 32.1 mt -66.85 -49.59 65.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 71.23 110.935 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 75.3 t -51.05 -42.78 25.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 75.02 111.14 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 5.2 mtp -70.08 -41.89 73.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 72.34 110.858 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.76 -26.36 67.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 75.33 111.071 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 81.1 mt -82.93 -51.08 7.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.251 -0.431 . . . . 75.21 110.905 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -68.48 -12.13 60.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 70.11 110.871 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -100.26 -49.16 4.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 73.32 110.92 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -76.82 -52.1 10.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 74.42 110.857 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -85.72 -0.69 55.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 74.32 110.912 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.0 t0 49.89 37.7 14.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.486 . . . . 75.41 110.838 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 44.8 p -88.53 129.32 35.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 71.25 111.155 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -69.98 84.17 0.5 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.225 -0.443 . . . . 75.51 110.905 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 49.4 mm -111.08 78.51 1.72 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.573 0.701 . . . . 74.51 111.125 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -170.92 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.709 2.273 . . . . 73.54 112.35 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -55.53 -42.88 75.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 74.41 110.86 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -58.44 -61.76 2.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 64.32 110.829 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.96 -14.58 60.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 72.31 110.87 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -80.38 -32.29 37.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 72.2 111.097 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.69 -18.02 58.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 72.21 110.887 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt -98.91 -35.26 10.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 63.41 110.913 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 40.8 mm -87.41 83.48 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 71.55 111.134 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 10.6 t -126.51 23.34 6.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 74.24 111.165 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 19.8 p -144.96 160.29 41.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.201 -0.454 . . . . 63.2 111.106 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 48.8 t -60.45 -60.64 2.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 63.11 111.111 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -50.57 -37.5 40.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 72.41 110.899 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.82 -49.91 59.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 75.25 111.111 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.11 -53.09 60.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 64.34 111.119 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 1.4 tp -58.46 -35.91 56.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 74.35 111.152 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -67.56 -37.28 82.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 74.34 110.87 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -67.46 -65.21 0.72 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 74.12 110.918 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 21.4 m -50.94 -39.93 19.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.106 -0.497 . . . . 75.24 111.199 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 32.7 t-20 -65.31 -42.43 93.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 72.41 110.913 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 46.9 t -73.11 -22.77 60.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 74.31 110.848 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 11.0 m80 -110.24 67.73 0.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 75.53 110.848 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 6.7 mp0 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 63.45 110.895 -179.921 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.467 -0.253 . . . . 64.54 112.467 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 5.1 mp -102.58 133.07 20.69 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.662 0.744 . . . . 74.53 111.134 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 178.26 4.76 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.659 2.24 . . . . 73.21 112.352 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -96.88 28.4 3.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 74.51 110.909 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.2 m -130.53 -50.73 1.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 65.22 110.889 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -50.21 -36.52 31.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.078 -0.51 . . . . 63.32 110.878 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 69.6 mt -71.49 -47.2 59.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 71.23 111.119 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -59.43 -47.25 86.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 72.24 110.894 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -63.82 -39.15 93.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 72.43 110.853 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.5 mtp180 -67.59 -57.7 5.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 73.35 110.907 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 62.1 t -49.39 -60.82 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 74.35 111.177 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 41.2 mmtm -50.22 -47.4 54.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 74.11 110.905 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.0 ttpt -49.2 -58.04 5.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 73.45 110.882 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.3 mt -52.56 -56.94 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 71.41 111.064 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.0 mp -53.39 -33.11 20.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 73.55 111.148 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 74.7 t -75.29 -27.11 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 72.11 111.111 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -80.15 -27.15 39.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 73.3 110.908 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -83.33 -60.49 2.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 75.24 110.895 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 58.8 mt -70.34 -28.68 65.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 71.04 110.885 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.89 15.17 76.02 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.792 -0.718 . . . . 64.31 112.475 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 32.7 m -90.93 -179.94 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.802 0.334 . . . . 73.31 111.109 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -77.87 128.48 34.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 72.53 110.886 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -52.44 -29.4 24.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 74.13 110.877 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.63 -43.76 88.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 75.51 111.091 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -58.26 -51.75 68.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 63.33 110.906 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 56.4 t -51.7 106.13 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 75.23 111.157 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 48.1 mttp -95.93 143.1 27.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 73.44 110.907 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -63.14 -29.11 70.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 71.04 110.918 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -98.29 29.32 3.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 74.45 110.885 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.35 141.59 48.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 75.44 111.111 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.8 t -90.1 167.29 12.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 74.11 110.898 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -84.56 -29.27 26.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 74.43 110.909 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 5.5 m -121.38 -32.36 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 74.31 111.097 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -72.51 -27.44 62.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 72.31 110.86 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -113.87 -74.59 0.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 73.41 110.888 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.2 mt -55.5 -26.88 45.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 74.45 110.925 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.24 48.19 54.06 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.703 -0.761 . . . . 63.15 112.503 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -82.36 -80.72 0.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.758 0.313 . . . . 74.12 111.078 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 178.98 179.83 0.39 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 75.22 110.857 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 41.8 m -71.3 -42.41 68.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 74.3 110.849 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.7 tp -53.64 -32.73 52.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.13 -0.486 . . . . 75.43 110.896 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -65.87 -56.2 13.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 73.34 110.857 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 81.2 p -51.56 -55.25 20.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 74.23 111.164 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.2 p -57.46 -36.87 54.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 72.44 111.165 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -59.15 -45.19 91.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 75.24 110.849 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 25.3 mt -64.59 -50.29 67.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 72.12 110.948 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 93.2 t -50.59 -44.12 24.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 72.1 111.126 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 35.5 mtp -67.4 -41.1 85.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 73.33 110.861 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.92 -30.44 67.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.273 -0.422 . . . . 44.13 111.109 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 89.1 mt -78.75 -58.02 3.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 74.45 110.928 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.58 -19.17 46.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 71.15 110.888 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 78.7 tt0 -92.59 -60.59 1.79 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 61.22 110.899 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -63.95 -58.48 6.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.482 . . . . 73.11 110.879 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -75.36 -6.49 50.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 75.02 110.908 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.1 t0 61.61 26.77 16.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.09 -0.505 . . . . 74.2 110.86 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -78.93 174.5 11.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 75.12 111.101 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -117.76 88.42 2.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 72.4 110.884 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.0 mp -117.44 77.38 10.29 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.605 0.717 . . . . 62.54 111.085 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -169.56 0.33 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.681 2.254 . . . . 74.01 112.341 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -52.96 -48.27 67.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 72.01 110.862 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -54.43 -68.33 0.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 74.42 110.883 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.91 -37.88 54.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 75.11 110.876 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.09 -47.13 72.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 62.4 111.1 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -55.07 -25.73 32.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 64.22 110.865 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.3 mtpt -81.14 -46.16 15.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 62.31 110.884 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 30.6 mm -75.67 96.25 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.223 -0.444 . . . . 72.43 111.147 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 54.1 p -117.3 -22.04 8.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 75.53 111.152 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 17.7 p -124.93 -177.27 3.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 74.43 111.099 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 42.9 t -70.47 -49.25 54.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 75.33 111.123 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.8 -45.83 64.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 75.33 110.882 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.8 -43.98 97.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 74.03 111.119 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.12 -60.17 2.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 73.21 111.083 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 5.6 tp -51.25 -31.15 11.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 75.41 111.178 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -72.08 -52.25 17.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 75.11 110.86 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -52.36 -55.56 20.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 75.24 110.922 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 80.7 t -59.58 -50.83 78.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 75.24 111.147 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -56.55 -26.61 55.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 73.23 110.905 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 9.3 t -88.13 -30.24 19.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 74.11 110.84 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 10.9 m80 -90.08 55.62 3.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 63.01 110.859 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 39.9 mm-40 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 74.05 110.914 -179.904 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.533 -0.227 . . . . 64.41 112.533 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 24.2 mm 64.88 132.42 0.03 OUTLIER Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.619 0.723 . . . . 74.33 111.114 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -178.25 2.25 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.649 2.233 . . . . 71.42 112.367 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -96.0 34.71 1.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 74.44 110.887 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 m -129.86 -39.82 1.39 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 75.14 110.87 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -65.66 -54.15 31.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 73.31 110.892 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 13.5 mt -51.2 -36.58 16.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 72.45 111.185 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -60.55 -55.83 28.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.101 -0.5 . . . . 73.12 110.9 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -60.31 -38.29 83.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 73.33 110.857 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.77 -64.47 0.85 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 71.3 110.836 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -49.73 -31.44 6.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 74.42 111.165 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.19 -49.65 54.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 73.51 110.902 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt -56.09 -44.87 79.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 75.13 110.922 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.6 mp -61.04 -58.93 5.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 73.14 111.157 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 29.4 mt -51.75 -31.18 12.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 74.32 111.126 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 83.3 t -81.33 -31.29 11.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 75.13 111.109 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -81.9 -16.45 50.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 74.32 110.838 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -96.33 -39.6 9.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 74.33 110.872 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 73.7 mt -90.34 -27.83 19.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 74.34 110.879 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.4 19.12 79.92 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.736 -0.745 . . . . 62.42 112.473 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 19.9 m -102.25 -178.88 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.823 0.344 . . . . 74.35 111.156 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -79.55 131.9 36.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 73.03 110.869 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -54.15 -28.19 38.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 75.23 110.897 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.02 -44.11 81.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 63.4 111.117 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -60.72 -29.97 69.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 75.41 110.889 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 96.1 t -59.22 101.05 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 74.35 111.139 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 44.0 mmtt -90.13 128.03 36.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 73.42 110.882 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -54.83 -42.81 72.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 73.13 110.87 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -91.42 59.2 3.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 74.22 110.887 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -153.81 141.08 19.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 73.23 111.076 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -83.99 161.77 20.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 72.22 110.837 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -69.67 -23.23 63.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.484 . . . . 74.43 110.885 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 46.8 t -127.94 -48.43 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 73.34 111.148 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -52.09 -30.3 25.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.478 . . . . 64.03 110.869 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -112.15 -71.74 0.74 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 73.12 110.848 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 38.5 mt -51.5 -47.73 63.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 75.41 110.921 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 98.36 20.45 20.11 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.717 -0.754 . . . . 65.22 112.489 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.98 -169.31 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.74 0.305 . . . . 64.32 111.115 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -111.82 169.93 8.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 74.51 110.825 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -53.08 -43.07 66.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 74.14 110.835 -179.774 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.2 tp -53.27 -34.47 57.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.132 -0.485 . . . . 74.31 110.906 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -64.35 -57.51 9.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 70.53 110.904 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 74.4 p -51.59 -56.33 14.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 72.25 111.122 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 46.8 t -54.38 -40.17 47.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 74.42 111.12 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -57.38 -49.53 75.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 75.12 110.872 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 30.7 mt -58.98 -49.79 76.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.478 . . . . 74.21 110.896 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 95.0 t -50.24 -48.58 24.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 71.12 111.154 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 15.7 mtp -58.8 -48.28 81.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.467 . . . . 73.35 110.89 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.77 -29.87 65.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 71.42 111.134 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.4 mt -73.35 -42.64 61.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 64.55 110.936 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -80.77 -9.22 59.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 74.42 110.934 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -104.37 -24.77 13.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.487 . . . . 73.44 110.876 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -106.25 -46.03 4.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 75.14 110.895 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -96.95 0.87 49.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 72.54 110.862 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 50.55 34.28 9.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 75.03 110.851 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 30.2 p -86.34 119.74 26.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 73.14 111.13 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 20.5 mp0 -69.27 85.12 0.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 74.55 110.907 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 53.6 mt -109.2 85.45 3.41 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.624 0.726 . . . . 73.31 111.098 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 179.57 3.62 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.696 2.264 . . . . 53.21 112.302 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -54.58 -42.61 71.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 63.03 110.865 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -56.63 -57.89 10.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 64.22 110.896 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -74.68 -5.73 44.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 64.14 110.91 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -83.66 -35.45 24.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.483 . . . . 75.3 111.104 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -70.73 -23.57 62.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 74.43 110.924 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -90.74 -33.64 15.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 73.41 110.851 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 46.0 mm -90.41 85.12 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 74.11 111.136 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 64.0 p -131.4 22.69 4.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 70.11 111.129 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 12.3 p -140.55 158.12 44.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 74.53 111.146 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 37.4 t -55.31 -61.83 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.23 -0.441 . . . . 73.23 111.106 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 -51.49 -44.37 62.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 75.55 110.906 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.9 -42.99 99.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 73.32 111.074 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.31 -59.0 3.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 64.12 111.097 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 3.4 tp -52.19 -33.57 16.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.28 -0.418 . . . . 74.34 111.095 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -70.97 -46.17 62.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 65.42 110.85 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -55.96 -56.35 21.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.456 . . . . 75.11 110.945 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 22.7 m -61.59 -38.85 81.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 71.23 111.144 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -68.04 -23.65 65.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 74.24 110.886 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 43.2 t -91.78 -31.1 15.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 73.31 110.847 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 18.0 m80 -93.89 52.56 1.67 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 73.34 110.851 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 74.45 110.948 -179.95 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.446 -0.262 . . . . 54.33 112.446 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.403 ' C ' ' H ' ' A' ' 4' ' ' LEU . 19.2 mm 65.52 131.98 0.03 OUTLIER Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.666 0.746 . . . . 73.21 111.11 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 6.77 1.2 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.692 2.261 . . . . 74.22 112.309 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.403 ' H ' ' C ' ' A' ' 2' ' ' ILE . 0.7 OUTLIER 62.17 18.7 10.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 64.43 110.92 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.2 m -118.63 -11.61 9.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 74.31 110.893 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -92.08 -52.7 4.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 74.34 110.873 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 49.7 mt -57.74 -34.65 48.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 75.05 111.158 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -60.98 -56.54 19.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 73.24 110.911 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -64.63 -34.96 79.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 73.44 110.92 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.1 mtp180 -67.49 -63.84 0.98 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 73.12 110.897 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 98.0 t -50.93 -57.68 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 72.43 111.124 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 24.4 mmtp -51.26 -49.01 62.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.47 . . . . 73.54 110.895 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.8 ttmt -48.83 -57.63 6.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 72.44 110.93 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.3 mt -50.73 -57.76 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 71.54 111.18 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.0 mt -54.01 -29.65 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 74.03 111.164 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 73.5 t -80.3 -27.07 11.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 74.45 111.106 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -91.6 -9.72 43.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 71.43 110.892 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -104.35 -61.64 1.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 72.34 110.896 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.6 mp -72.84 -45.95 55.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 73.44 110.931 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 117.68 -32.08 5.49 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.727 -0.749 . . . . 63.52 112.477 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 34.2 m -51.44 161.51 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.834 0.35 . . . . 74.14 111.138 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -83.81 146.33 28.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 75.45 110.863 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -62.61 -17.67 60.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 72.32 110.874 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -88.1 -60.65 1.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 75.04 111.061 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -51.93 -39.05 58.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 64.43 110.867 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 8.6 p -51.93 150.44 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 75.03 111.134 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? -116.92 136.18 53.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 71.42 110.875 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -70.23 -38.14 75.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 72.53 110.897 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -90.56 46.89 1.37 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 73.31 110.869 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -139.66 157.33 45.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 75.41 111.09 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.6 t -92.88 -175.52 3.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 73.22 110.892 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -96.54 -35.76 10.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 70.33 110.918 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 8.0 p -121.04 -34.58 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 72.25 111.092 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -66.6 -23.38 66.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 71.43 110.874 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -117.6 -74.61 0.6 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 74.02 110.841 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.3 mt -51.58 -37.31 49.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 64.42 110.932 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 89.33 27.0 24.11 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.765 -0.731 . . . . 71.3 112.507 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.01 -169.13 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.79 0.329 . . . . 72.0 111.111 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -106.08 -176.75 3.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.269 -0.423 . . . . 74.22 110.832 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.9 m -67.31 -48.55 67.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 74.23 110.886 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.18 -33.2 51.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.082 -0.508 . . . . 74.44 110.891 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.15 -63.25 1.37 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 74.24 110.87 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 50.6 p -51.55 -50.76 59.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 51.54 111.133 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 63.5 t -59.76 -35.92 62.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 73.11 111.129 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -63.04 -41.73 99.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 73.44 110.908 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 36.2 mt -66.35 -46.32 77.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 75.24 110.922 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 84.8 t -55.59 -56.54 11.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 73.2 111.117 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 26.6 ptm -58.83 -36.7 74.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 75.12 110.891 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.8 -40.5 88.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 60.14 111.105 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 41.0 mt -68.85 -59.62 2.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 64.25 110.894 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -56.24 -21.42 23.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 75.13 110.872 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -87.24 -62.75 1.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 75.35 110.901 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.26 -62.03 1.97 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 74.21 110.87 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -66.32 -13.83 61.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 73.1 110.887 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.5 t70 61.2 38.21 16.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 72.35 110.853 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.6 p -93.68 164.89 12.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.455 . . . . 72.11 111.143 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -96.75 83.85 3.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 55.15 110.932 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 51.7 mm -111.52 79.25 2.25 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.631 0.729 . . . . 73.21 111.154 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -170.48 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.705 2.27 . . . . 71.04 112.339 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -53.63 -50.51 65.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 74.32 110.853 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -52.12 -67.33 0.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 75.02 110.881 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -55.48 -26.02 40.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 71.23 110.86 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.81 -27.01 60.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 74.24 111.094 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -79.63 -35.02 40.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 74.33 110.842 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 10.9 ptmm? -79.91 -31.96 40.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 65.33 110.903 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 41.4 mm -91.17 86.4 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 74.14 111.12 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 10.1 t -126.27 12.74 7.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.203 -0.453 . . . . 74.24 111.12 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 20.0 p -139.48 156.44 46.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 70.23 111.151 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 57.8 t -54.92 -59.52 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 64.22 111.144 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -51.15 -39.78 57.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 73.23 110.911 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.79 -46.33 79.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 72.11 111.104 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.87 -53.74 41.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 72.52 111.114 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 2.1 tp -57.45 -33.7 44.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 74.41 111.104 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -68.98 -43.75 74.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 71.35 110.839 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -61.03 -60.64 3.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 73.53 110.938 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 77.4 t -52.83 -48.69 49.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 74.51 111.156 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -65.33 -24.96 67.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 72.13 110.914 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.3 t -78.29 -44.19 26.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 74.4 110.81 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 3.3 m80 -82.84 56.72 3.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 73.12 110.84 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 75.41 110.956 -179.985 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.479 -0.248 . . . . 70.33 112.479 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 5.2 mp -105.43 133.09 20.34 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.589 0.709 . . . . 73.0 111.135 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 173.52 10.86 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.667 2.244 . . . . 75.22 112.38 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.6 mt -95.85 26.62 3.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 72.02 110.889 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.6 t -115.69 -20.79 9.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 73.41 110.878 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -91.89 -40.27 11.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 74.12 110.924 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 78.7 mt -61.79 -40.43 86.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 74.22 111.133 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.32 -47.11 79.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 75.24 110.886 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -66.43 -38.68 87.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 63.25 110.875 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.0 mmm-85 -66.41 -60.1 3.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 74.42 110.865 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 32.1 t -50.72 -59.85 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 65.12 111.144 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 36.8 mmtm -50.75 -46.75 59.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 71.42 110.917 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.6 ttpp -50.8 -48.33 59.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 75.54 110.925 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mp -60.2 -57.54 11.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 74.44 111.122 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.6 mp -51.66 -33.95 15.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 75.31 111.143 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 89.9 t -77.42 -38.86 27.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.174 -0.466 . . . . 74.34 111.131 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -71.91 -24.2 61.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 74.3 110.91 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 -84.63 -46.66 11.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 75.21 110.917 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -85.43 -65.39 1.02 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 72.54 110.918 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 127.17 -17.33 6.27 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.746 -0.74 . . . . 61.31 112.463 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 23.0 m -66.17 -176.64 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.807 0.337 . . . . 73.42 111.139 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -91.65 132.64 36.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 71.43 110.861 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -55.97 -26.4 48.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 71.32 110.892 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.89 -52.63 41.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 63.41 111.082 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -54.79 -26.86 37.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 73.33 110.875 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 65.7 t -82.54 116.74 27.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 65.22 111.166 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.3 mtmm -97.04 175.55 6.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 74.34 110.931 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -77.95 -30.14 50.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 75.54 110.858 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -103.43 47.98 0.87 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 65.13 110.849 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -111.8 167.16 10.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 65.43 111.119 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.5 m -105.38 161.24 14.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 63.13 110.889 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -87.45 8.36 25.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 75.51 110.87 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 96.9 t -149.59 -41.2 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 73.51 111.129 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -70.38 -42.12 72.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 74.03 110.887 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.71 -67.5 0.78 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.482 . . . . 73.03 110.904 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -63.27 -69.63 0.26 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 72.05 110.903 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 136.24 -5.59 3.91 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.778 -0.725 . . . . 74.1 112.477 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.23 -169.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.751 0.31 . . . . 74.31 111.113 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -133.41 -78.43 0.48 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 54.34 110.884 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 43.2 t -133.19 -40.83 0.9 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 72.34 110.893 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.9 mt -51.17 -32.72 24.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.085 -0.507 . . . . 64.13 110.923 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -68.92 -58.33 4.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 72.25 110.916 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 68.1 p -47.35 -52.51 16.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 71.14 111.146 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.2 p -62.83 -36.76 76.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 74.03 111.168 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.8 -56.1 23.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.134 -0.485 . . . . 72.03 110.932 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.6 mt -55.37 -46.74 76.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 63.4 110.895 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 81.9 t -51.49 -57.6 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 72.24 111.111 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.19 -45.53 65.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 72.34 110.939 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.75 -35.26 70.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 71.43 111.062 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 86.8 mt -72.5 -59.54 2.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 75.21 110.915 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -56.98 -20.53 24.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 70.55 110.897 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -87.3 -61.23 1.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 74.42 110.879 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -65.95 -61.73 1.89 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 74.4 110.896 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -66.77 -13.3 61.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 72.21 110.9 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.0 t70 63.84 34.24 12.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.122 -0.49 . . . . 73.24 110.829 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.3 p -90.73 176.36 6.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 73.43 111.114 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 67.8 mt-10 -118.07 86.5 2.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.453 . . . . 71.14 110.848 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 2.0 mp -109.65 84.25 3.12 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.671 0.748 . . . . 75.53 111.133 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.76 -170.16 0.37 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.741 2.294 . . . . 72.55 112.298 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -66.85 -47.94 70.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.448 . . . . 73.42 110.844 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -54.3 -46.64 72.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 71.43 110.892 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -78.08 -22.84 48.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 73.03 110.879 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.97 -41.09 91.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 71.4 111.107 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.94 -22.4 48.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 73.35 110.88 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.8 mtpt -81.58 -31.71 32.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 73.42 110.917 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 45.6 mm -84.85 94.46 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 73.45 111.153 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 44.4 p -139.75 13.58 2.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 72.41 111.128 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 40.2 p -151.79 155.08 37.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 71.31 111.161 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.6 t -51.56 -59.89 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 72.13 111.167 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -51.59 -45.07 63.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 73.04 110.922 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.35 -44.47 97.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 74.01 111.11 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.57 -59.45 3.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 71.34 111.108 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 6.0 tp -51.71 -30.95 12.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 72.55 111.112 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -70.73 -53.25 16.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 74.05 110.884 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -52.66 -55.55 21.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 74.43 110.912 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 44.3 t -58.13 -48.95 83.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 71.15 111.156 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -58.55 -32.02 68.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 72.54 110.837 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 28.1 t -81.85 -28.24 33.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 73.02 110.866 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 22.6 m80 -97.22 57.0 1.41 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 73.42 110.889 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 41.1 mm-40 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 74.32 110.943 -179.939 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.516 -0.234 . . . . 71.31 112.516 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 60.6 mt -64.69 133.04 95.59 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.597 0.713 . . . . 75.42 111.113 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 177.32 5.63 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.686 2.257 . . . . 74.1 112.373 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -95.91 31.87 2.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 72.33 110.916 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.2 p -126.79 -45.33 1.61 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 73.3 110.83 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -52.92 -60.26 3.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 60.14 110.903 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.2 mt -55.36 -40.42 57.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 75.14 111.143 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 75.7 tt0 -51.88 -55.84 17.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 71.45 110.886 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -65.75 -25.96 67.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 75.32 110.933 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 -72.04 -66.58 0.62 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 70.1 110.909 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.2 m -50.38 -42.69 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 74.22 111.108 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -62.18 -51.19 68.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 74.13 110.891 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.5 ttmt -50.08 -46.27 53.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 75.31 110.852 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.0 mt -61.54 -63.16 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 75.43 111.109 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.7 mt -50.03 -31.6 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 70.32 111.146 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 74.0 t -77.81 -36.04 21.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 73.24 111.143 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -75.52 -29.18 59.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 75.5 110.859 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -79.56 -53.68 6.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 75.43 110.94 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -73.08 -62.59 1.41 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 73.5 110.905 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 116.84 16.14 6.47 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.739 -0.743 . . . . 71.15 112.509 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 24.5 m -97.2 175.04 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.838 0.351 . . . . 64.44 111.148 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -77.91 127.82 32.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.467 . . . . 75.33 110.886 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -51.9 -31.82 29.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 75.34 110.929 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.3 -39.82 91.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 75.44 111.126 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -61.66 -50.03 74.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 75.5 110.936 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.8 t -59.82 113.76 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 75.0 111.134 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.8 mtmm -112.06 168.33 9.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 74.14 110.891 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -68.48 -20.61 64.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 75.35 110.866 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -99.98 21.21 13.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 71.42 110.887 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -100.11 157.11 16.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 70.42 111.129 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.7 t -102.71 173.98 6.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 73.21 110.846 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -89.91 -27.45 19.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 75.34 110.908 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 95.0 t -126.15 -45.11 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.13 -0.486 . . . . 72.22 111.137 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.97 -33.31 62.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 65.04 110.884 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -108.04 -66.43 1.04 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 75.31 110.903 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.5 mp -52.08 -54.21 33.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 75.1 110.908 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 112.15 15.13 10.1 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.736 -0.745 . . . . 34.54 112.483 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.25 172.8 0.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.773 0.321 . . . . 64.52 111.111 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -136.28 -76.52 0.43 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 74.55 110.877 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.3 m -138.63 -48.46 0.52 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 75.25 110.857 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.1 mt -68.83 -32.84 72.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 74.01 110.909 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -68.41 -52.71 29.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 73.31 110.8 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -57.48 -55.51 33.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 73.41 111.129 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.0 m -57.99 -35.56 52.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 71.01 111.126 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -61.22 -46.12 91.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 73.22 110.865 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 49.5 mt -62.57 -48.62 78.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 73.24 110.877 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 98.4 t -51.83 -49.01 38.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 64.02 111.126 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 31.7 mtp -60.59 -47.07 87.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 72.45 110.888 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.85 -33.74 62.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 65.43 111.155 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 80.1 mt -70.92 -54.64 10.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 73.35 110.893 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -65.55 -13.22 58.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 75.44 110.848 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -94.1 -51.97 4.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 75.44 110.929 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -76.66 -56.76 4.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 75.1 110.894 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -75.81 -6.09 49.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 71.54 110.866 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 53.81 27.6 7.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 73.41 110.87 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.1 t -87.08 169.86 12.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 74.34 111.167 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 48.3 mm-40 -105.19 112.44 25.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 75.12 110.887 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 61.2 mt -135.74 84.07 33.81 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.605 0.717 . . . . 75.33 111.092 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -173.53 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.688 2.259 . . . . 74.04 112.342 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -53.15 -50.7 64.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 64.21 110.844 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -52.38 -63.63 1.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 74.44 110.901 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -60.93 -18.33 56.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 74.34 110.931 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -81.77 -24.14 36.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 72.0 111.125 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -84.04 -26.32 29.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 72.42 110.933 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.5 pttp -83.95 -34.95 24.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.09 -0.505 . . . . 71.41 110.919 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 31.3 mm -77.09 88.87 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 65.24 111.143 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 63.4 p -136.6 30.0 2.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 74.23 111.135 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.1 p -158.58 147.4 18.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 73.3 111.147 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 39.5 t -50.0 -60.32 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 75.33 111.096 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.7 tp60 -51.17 -42.06 60.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 72.5 110.931 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.2 -44.3 92.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.482 . . . . 71.4 111.097 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.5 -56.09 12.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 74.41 111.061 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 6.5 tp -54.53 -32.69 25.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 74.45 111.183 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -71.38 -49.21 44.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.486 . . . . 73.03 110.878 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -54.52 -57.93 9.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 75.13 110.881 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 67.7 t -57.84 -52.04 62.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 73.21 111.104 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -52.79 -30.84 35.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 73.1 110.865 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 38.6 m -84.5 -32.2 24.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 75.53 110.875 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 20.7 m80 -95.04 57.63 2.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 65.35 110.905 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 74.44 110.9 -179.903 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 N-CA-C 112.5 -0.24 . . . . 65.53 112.5 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.5 mp -89.04 131.31 41.47 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.615 0.722 . . . . 63.32 111.077 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 0.31 5.85 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.659 2.239 . . . . 75.32 112.331 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.9 mt 67.23 16.33 10.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 75.33 110.945 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.9 t -116.28 -23.06 8.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 71.25 110.927 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -73.24 -50.96 19.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.089 -0.505 . . . . 74.34 110.873 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 65.8 mt -54.09 -51.7 44.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 71.11 111.15 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -50.07 -44.47 51.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.482 . . . . 72.24 110.863 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -66.2 -53.61 35.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 64.53 110.857 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.0 mmm-85 -54.64 -58.08 8.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 74.55 110.865 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 40.4 t -49.53 -58.86 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 72.21 111.106 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.12 -42.75 69.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 74.25 110.884 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.8 ttpt -51.45 -52.02 49.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 74.14 110.905 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.7 mp -59.08 -54.23 37.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 71.13 111.138 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.8 mt -52.19 -28.85 11.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 75.22 111.094 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 88.6 t -78.35 -43.63 26.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 74.41 111.128 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -71.27 -24.38 62.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.452 . . . . 73.15 110.894 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -82.17 -53.6 5.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 74.2 110.878 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.3 mp -83.99 -63.69 1.3 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 73.21 110.904 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 128.23 -15.7 6.1 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.729 -0.748 . . . . 74.41 112.481 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 29.1 m -68.14 -175.17 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.868 0.366 . . . . 71.04 111.081 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -93.88 137.44 33.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 71.12 110.897 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -60.16 -32.81 71.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 70.3 110.922 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.1 -62.89 1.49 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 75.12 111.107 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -52.73 -29.21 25.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 74.14 110.914 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 60.8 t -72.82 85.24 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 74.12 111.157 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 46.3 mtmt -60.48 170.0 1.54 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 72.44 110.904 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -86.51 -27.24 24.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 73.43 110.871 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -94.33 37.84 1.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 63.21 110.865 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -119.4 -178.27 3.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 74.43 111.13 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.5 t -132.07 163.55 28.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 64.1 110.838 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -71.22 -36.7 71.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 73.31 110.891 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 84.7 t -126.99 -40.24 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 71.33 111.15 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -52.86 -28.86 24.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 73.15 110.856 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -122.14 -62.31 1.4 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 71.24 110.919 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -51.62 -30.41 21.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 74.01 110.905 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 80.44 17.42 73.66 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.761 -0.733 . . . . 70.21 112.474 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.91 -169.98 0.4 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.816 0.341 . . . . 64.03 111.078 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -108.01 162.68 13.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 70.53 110.873 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.93 -36.86 50.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 74.42 110.839 -179.745 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.78 -30.48 23.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 70.22 110.891 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -70.15 -58.17 4.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 74.23 110.888 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 63.0 p -51.1 -36.23 39.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 75.2 111.13 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 73.3 t -68.96 -56.01 13.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 75.05 111.151 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -57.04 -31.21 64.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 70.22 110.9 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 82.5 mt -70.65 -47.21 61.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 75.31 110.903 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 87.0 t -57.52 -50.2 77.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 74.44 111.133 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 23.8 ptm -63.59 -36.34 83.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 74.42 110.897 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.72 -41.07 94.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 71.03 111.094 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 31.5 mt -68.49 -59.57 3.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 75.34 110.919 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -54.82 -23.82 20.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 72.23 110.867 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -85.14 -60.77 1.94 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 75.4 110.842 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -63.79 -62.66 1.51 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 72.11 110.859 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -64.58 -15.56 61.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 72.11 110.877 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 61.89 45.91 7.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.499 . . . . 72.5 110.878 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 20.3 p -105.14 166.67 10.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 73.15 111.139 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 80.8 mt-10 -97.29 84.16 3.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.437 . . . . 72.03 110.904 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 51.0 mm -109.85 82.67 2.47 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.601 0.715 . . . . 74.44 111.166 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 176.59 6.6 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.672 2.248 . . . . 65.22 112.341 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -55.72 -42.71 75.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 73.04 110.9 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -56.29 -57.05 13.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 72.11 110.87 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -75.52 -5.21 44.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 74.22 110.885 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -84.73 -34.35 22.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 72.33 111.127 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 -70.84 -28.88 64.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 74.52 110.895 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.3 ptpt -82.68 -34.54 27.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 72.21 110.878 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 46.7 mm -91.81 80.75 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 73.05 111.101 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 55.3 p -126.49 19.04 7.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 55.23 111.165 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 19.3 p -140.39 158.86 43.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 73.22 111.14 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 27.6 t -54.89 -61.02 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 70.14 111.145 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -51.77 -41.46 61.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 73.32 110.921 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.23 -46.33 87.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 74.45 111.084 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.08 -57.69 7.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 72.44 111.078 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 1.7 tp -53.39 -32.64 20.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 74.51 111.136 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -69.7 -50.8 40.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 73.21 110.871 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -53.83 -59.87 4.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 74.23 110.93 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 29.0 t -55.11 -48.98 75.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.093 -0.503 . . . . 72.52 111.096 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -60.23 -26.14 66.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 75.43 110.858 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.1 p -86.45 -27.97 23.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 72.3 110.85 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 13.6 m80 -98.38 62.48 1.47 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 73.11 110.89 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 73.32 110.91 -179.922 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.453 -0.259 . . . . 74.0 112.453 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 50.5 mm -81.88 133.2 52.24 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.632 0.73 . . . . 72.55 111.111 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.86 173.34 11.2 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.676 2.251 . . . . 62.44 112.329 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.91 46.19 1.26 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 73.33 110.922 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.9 m -139.21 -42.73 0.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 75.11 110.876 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -60.67 -55.9 27.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 75.01 110.882 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 7.5 mt -53.75 -42.4 51.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 73.15 111.131 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -52.02 -54.87 24.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 74.54 110.909 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.8 tp10 -63.27 -36.11 82.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 74.4 110.871 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.4 tpp180 -64.52 -65.3 0.69 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.148 -0.478 . . . . 74.01 110.844 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 43.8 t -48.9 -46.65 16.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 63.32 111.131 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.5 mptt -59.63 -42.41 92.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 74.23 110.928 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 30.4 ttmt -56.04 -48.56 75.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 75.32 110.888 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.1 mp -60.36 -49.78 82.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 72.52 111.102 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 13.1 mt -60.71 -36.53 71.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 75.1 111.122 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 99.0 t -78.23 -22.73 13.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 72.21 111.146 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -91.83 -14.03 30.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 71.24 110.904 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -112.21 -64.71 1.26 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 74.33 110.89 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 42.2 mt -67.35 -36.32 81.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 73.51 110.895 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.43 -26.93 22.69 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.702 -0.761 . . . . 74.45 112.498 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 28.4 m -51.2 162.2 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.819 0.342 . . . . 75.14 111.131 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -85.06 145.62 27.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 74.31 110.895 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -61.24 -19.04 61.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 75.01 110.86 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.51 -53.45 4.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 74.1 111.115 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -58.12 -39.63 79.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 74.51 110.872 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 9.5 p -51.68 141.29 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 74.31 111.178 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 45.5 mttm -118.63 127.38 53.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 75.32 110.848 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -62.48 -22.31 66.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 73.1 110.883 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -94.87 27.24 3.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 70.42 110.892 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -119.19 -178.75 3.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 64.2 111.048 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -122.24 -170.11 2.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 72.11 110.911 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -100.82 -44.49 5.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 73.42 110.887 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 9.1 m -119.23 -33.13 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 73.32 111.108 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -64.39 -24.87 67.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 72.11 110.883 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -122.84 -65.61 1.09 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 44.22 110.857 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -56.92 -24.9 55.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 43.14 110.886 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 72.33 25.01 75.42 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.718 -0.753 . . . . 71.44 112.524 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.38 -170.96 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.78 0.324 . . . . 70.12 111.09 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -107.44 165.46 11.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.192 -0.458 . . . . 71.04 110.868 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 51.0 m -52.0 -41.25 62.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 71.41 110.838 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.7 tp -56.66 -33.6 66.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.187 -0.461 . . . . 74.12 110.9 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -64.87 -56.94 10.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 74.42 110.85 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.8 p -52.5 -55.5 21.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 75.4 111.166 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.7 m -57.57 -34.33 46.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 75.32 111.066 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -61.21 -48.19 82.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 75.54 110.856 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 42.2 mt -63.07 -45.61 91.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 73.21 110.899 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 60.9 t -53.01 -50.79 43.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 71.14 111.138 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -47.54 85.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 64.21 110.851 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.99 -34.07 63.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 72.23 111.1 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 80.6 mt -70.65 -51.74 25.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 74.41 110.922 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -70.64 -10.33 59.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 73.22 110.905 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -96.73 -46.13 6.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.462 . . . . 73.14 110.889 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -85.77 -55.57 3.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 75.02 110.904 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -79.64 -2.91 44.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 74.51 110.918 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 50.99 34.17 10.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.088 -0.506 . . . . 73.15 110.847 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.7 p -69.6 -17.79 63.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 73.24 111.165 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 54.64 24.91 5.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 74.1 110.896 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 36.2 mm -44.26 104.15 0.37 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.625 0.726 . . . . 73.54 111.125 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -169.32 0.32 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.724 2.282 . . . . 74.24 112.31 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -68.48 -53.44 23.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 73.0 110.883 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -51.76 -47.9 63.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 73.12 110.863 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -70.79 -37.81 73.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 64.31 110.919 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -52.15 -45.59 65.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.102 -0.499 . . . . 63.13 111.113 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -56.73 -24.92 53.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 74.31 110.88 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.0 mtpp -79.97 -45.65 18.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 74.21 110.883 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 47.2 mm -72.94 77.58 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 73.31 111.147 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 26.1 p -110.03 -15.78 13.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 65.3 111.15 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 47.7 p -122.5 -176.55 3.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.241 -0.436 . . . . 73.42 111.13 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 62.1 t -78.68 -57.89 4.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 74.34 111.128 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -50.25 -38.78 42.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 73.43 110.908 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.31 -51.09 62.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 71.3 111.06 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.9 -57.91 9.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 53.3 111.12 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 1.2 tp -52.86 -35.77 22.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 63.22 111.107 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -67.87 -39.3 83.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.481 . . . . 63.4 110.87 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -65.18 -65.19 0.7 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 74.23 110.905 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 17.4 m -51.03 -42.45 24.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 72.53 111.147 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -62.63 -39.72 94.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 74.2 110.92 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 17.6 t -75.3 -25.84 58.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 63.31 110.87 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 14.3 m80 -105.91 61.75 0.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 75.03 110.876 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 75.2 110.9 -179.938 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.0 m . . . . . 0 CA--C 1.527 0.058 0 CA-C-O 120.892 0.377 . . . . 52.21 110.837 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -84.09 -50.05 8.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.478 . . . . 75.2 110.896 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.645 ' O ' HG23 ' A' ' 11' ' ' VAL . 50.2 mt -58.5 -39.83 76.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 73.41 111.113 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -56.03 -54.88 39.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 72.4 110.891 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -64.85 -37.94 89.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 74.02 110.926 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.733 ' O ' HD12 ' A' ' 14' ' ' ILE . 2.9 mmm180 -62.6 -63.36 1.25 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 71.33 110.877 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 7' ' ' ILE . 39.8 t -50.33 -49.3 23.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 72.22 111.122 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.683 ' O ' HG23 ' A' ' 16' ' ' VAL . 0.4 OUTLIER -59.28 -44.32 92.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 74.41 110.882 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.7 ttmm -51.96 -53.43 41.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 71.35 110.86 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.733 HD12 ' O ' ' A' ' 10' ' ' ARG . 2.5 mp -58.18 -54.33 33.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 74.31 111.136 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 57.0 mt -51.07 -30.44 9.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 61.21 111.143 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.683 HG23 ' O ' ' A' ' 12' ' ' LYS . 97.6 t -78.7 -37.46 20.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 53.52 111.136 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -73.9 -25.49 60.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 73.5 110.918 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 -83.44 -49.15 9.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 71.42 110.909 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.766 HD11 HD23 ' A' ' 36' ' ' LEU . 63.3 mt -85.79 -62.69 1.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 74.13 110.902 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 112.11 17.73 8.16 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.754 -0.736 . . . . 53.33 112.493 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 19.7 m -106.87 -174.31 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.843 0.354 . . . . 72.14 111.127 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -80.89 124.73 29.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 72.42 110.831 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -54.89 -26.86 38.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 71.32 110.852 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.93 -54.72 34.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 72.04 111.116 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -51.93 -30.59 25.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 62.25 110.913 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 61.2 t -67.73 104.2 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 75.42 111.161 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.0 mmmt -77.53 146.63 36.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 74.34 110.929 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -70.97 -44.46 65.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 65.0 110.877 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -70.18 -25.88 63.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 70.13 110.874 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.416 ' HB1' ' CB ' ' A' ' 35' ' ' ASP . . . -71.26 165.75 23.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 64.41 111.136 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.66 ' OG ' HG22 ' A' ' 68' ' ' THR . 9.3 t -105.68 -172.48 2.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 73.0 110.843 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.719 ' HA ' HD22 ' A' ' 36' ' ' LEU . 14.9 m-85 -86.32 -21.73 27.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 63.21 110.878 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.655 HG12 ' O ' ' A' ' 38' ' ' ALA . 17.8 m -119.35 -36.22 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 72.53 111.143 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -51.81 -66.61 0.35 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 73.55 110.906 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.416 ' CB ' ' HB1' ' A' ' 30' ' ' ALA . 8.4 t70 -91.23 -52.81 4.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 73.5 110.862 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.766 HD23 HD11 ' A' ' 19' ' ' LEU . 6.6 mp -51.71 -37.62 51.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 75.32 110.915 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 78.51 20.99 70.49 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.685 -0.769 . . . . 53.1 112.456 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.655 ' O ' HG12 ' A' ' 33' ' ' VAL . . . -78.84 -175.2 4.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.835 0.35 . . . . 45.12 111.091 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -114.63 177.31 4.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 55.25 110.872 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.518 ' O ' HG23 ' A' ' 44' ' ' VAL . 1.4 m -52.46 -30.95 32.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 74.44 110.882 -179.745 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.8 tp -60.17 -42.87 95.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 55.34 110.921 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -58.29 -56.69 18.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 74.22 110.872 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.559 HG22 ' HD2' ' A' ' 32' ' ' PHE . 73.8 p -51.39 -55.71 17.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 73.03 111.101 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 40' ' ' SER . 61.5 t -54.54 -38.7 42.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 53.11 111.126 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.47 -46.1 89.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.475 . . . . 75.33 110.886 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.565 HD12 ' CE2' ' A' ' 32' ' ' PHE . 25.7 mt -65.29 -38.8 91.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 74.34 110.884 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.613 HG13 HG21 ' A' ' 58' ' ' ILE . 99.2 t -57.24 -58.82 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 71.22 111.128 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 18.0 ptm -57.59 -43.1 84.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 61.31 110.911 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.42 -35.33 69.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 73.42 111.068 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.671 HD22 HG21 ' A' ' 76' ' ' VAL . 57.7 mt -69.81 -53.8 16.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 64.5 110.909 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -66.78 -13.11 61.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 73.43 110.849 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -94.02 -48.62 6.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 74.13 110.877 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -81.57 -59.08 2.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.487 . . . . 73.12 110.865 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.622 ' HB3' HG23 ' A' ' 56' ' ' THR . 27.8 m-85 -72.9 -8.41 55.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 55.33 110.904 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.5 t70 53.62 38.4 28.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 64.44 110.863 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.622 HG23 ' HB3' ' A' ' 54' ' ' PHE . 58.8 p -91.46 163.8 14.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 43.33 111.129 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -94.7 84.94 4.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 73.1 110.885 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.613 HG21 HG13 ' A' ' 47' ' ' VAL . 50.4 mm -111.76 77.84 1.99 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.661 0.743 . . . . 73.35 111.122 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -170.65 0.41 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.719 2.279 . . . . 64.34 112.359 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -54.88 -49.71 70.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 65.34 110.917 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -55.37 -63.95 1.0 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 73.03 110.875 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -56.98 -23.32 45.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 73.11 110.901 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -77.69 -28.13 50.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 44.22 111.099 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -79.32 -29.58 42.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 74.34 110.87 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.9 pttt -84.97 -32.61 22.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 70.32 110.891 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 41.3 mm -91.14 81.18 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 73.15 111.121 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.2 t -123.58 12.79 9.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 73.14 111.153 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.66 HG22 ' OG ' ' A' ' 31' ' ' SER . 19.2 p -135.19 155.29 50.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 70.52 111.153 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.43 HG22 ' HE1' ' A' ' 32' ' ' PHE . 67.2 t -54.06 -60.61 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 71.4 111.179 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -51.31 -40.89 59.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 72.41 110.892 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.07 -46.9 82.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 74.21 111.123 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.84 -56.25 14.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 74.43 111.105 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.414 HD12 HG21 ' A' ' 11' ' ' VAL . 4.5 tp -54.93 -32.95 27.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 65.34 111.13 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -69.46 -47.44 63.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 74.23 110.899 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -57.65 -61.38 2.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 75.3 110.908 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.671 HG21 HD22 ' A' ' 50' ' ' LEU . 75.2 t -53.17 -51.82 35.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.5 . . . . 53.43 111.129 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.418 ' HA ' HD13 ' A' ' 7' ' ' ILE . 19.7 t-20 -56.71 -32.12 65.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 73.42 110.883 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 34.5 t -80.51 -26.85 37.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 63.03 110.862 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 17.4 m80 -103.51 64.28 0.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.5 . . . . 74.41 110.827 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 62.11 110.856 -179.905 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.6 p . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.858 0.361 . . . . 75.14 110.854 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -85.42 -31.96 22.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.075 -0.512 . . . . 73.31 110.872 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.607 ' O ' HG23 ' A' ' 11' ' ' VAL . 6.6 mt -66.49 -48.14 81.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 71.4 111.121 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -51.19 -48.03 62.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 72.4 110.878 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -65.51 -49.38 69.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 75.11 110.89 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.652 ' O ' HD12 ' A' ' 14' ' ' ILE . 1.0 OUTLIER -55.82 -59.89 4.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 74.41 110.918 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.932 HG21 HD12 ' A' ' 73' ' ' ILE . 43.2 t -50.11 -59.57 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 70.23 111.09 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.666 ' HG3' HG11 ' A' ' 26' ' ' VAL . 0.9 OUTLIER -51.66 -46.4 63.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 73.42 110.855 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -49.77 -51.89 35.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 72.31 110.882 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.652 HD12 ' O ' ' A' ' 10' ' ' ARG . 3.3 mt -57.9 -58.68 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 54.22 111.112 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.732 HD12 ' O ' ' A' ' 11' ' ' VAL . 3.1 mt -52.92 -30.89 16.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 74.54 111.149 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.673 HG13 ' O ' ' A' ' 21' ' ' VAL . 78.1 t -80.03 -29.59 12.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 74.05 111.108 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -83.0 -20.14 35.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 74.25 110.863 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -91.02 -56.93 2.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 63.32 110.924 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.634 HD11 ' CG ' ' A' ' 42' ' ' ASP . 8.6 mp -76.63 -59.73 2.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 71.04 110.85 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 127.44 -18.71 6.04 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.739 -0.743 . . . . 35.24 112.47 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.673 ' O ' HG13 ' A' ' 16' ' ' VAL . 31.3 m -58.9 -177.37 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.796 0.332 . . . . 53.43 111.119 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -98.31 143.9 28.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.461 . . . . 65.22 110.847 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.651 ' O ' HG12 ' A' ' 26' ' ' VAL . 6.1 pt-20 -62.22 -17.53 58.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 72.22 110.865 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.61 -21.81 25.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 61.34 111.09 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -96.28 25.02 5.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.451 . . . . 75.53 110.93 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.666 HG11 ' HG3' ' A' ' 12' ' ' LYS . 9.2 p -122.69 143.35 35.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 71.3 111.086 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.9 mttm -118.66 173.22 6.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 73.42 110.94 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.414 ' OD1' HG21 ' A' ' 73' ' ' ILE . 0.7 OUTLIER -92.94 -42.91 9.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 71.42 110.892 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -66.96 -23.04 65.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 71.33 110.899 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.16 177.69 1.0 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 64.55 111.072 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.744 ' OG ' HG22 ' A' ' 68' ' ' THR . 42.4 t -132.44 170.47 15.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 74.24 110.811 -179.766 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.538 ' HB2' HG22 ' A' ' 43' ' ' THR . 11.1 m-30 -73.35 -35.42 66.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.09 -0.504 . . . . 70.41 110.834 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.529 HG22 ' C ' ' A' ' 38' ' ' ALA . 89.3 t -130.36 -39.3 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 63.41 111.121 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -51.59 -30.25 20.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 62.43 110.867 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -120.42 -61.58 1.56 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 63.05 110.891 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.665 HD23 ' O ' ' A' ' 31' ' ' SER . 3.2 mm? -51.77 -39.65 58.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 75.03 110.863 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 91.7 15.34 55.02 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.719 -0.753 . . . . 73.11 112.46 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.529 ' C ' HG22 ' A' ' 33' ' ' VAL . . . -67.85 -169.62 0.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.771 0.32 . . . . 72.43 111.127 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 42.7 p30 -111.5 165.17 12.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 45.24 110.877 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.642 ' O ' HG23 ' A' ' 44' ' ' VAL . 3.0 m -52.0 -31.6 30.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 53.5 110.825 -179.758 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.4 tp -58.97 -33.68 70.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.168 -0.469 . . . . 75.55 110.913 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.634 ' CG ' HD11 ' A' ' 19' ' ' LEU . 8.9 t0 -69.16 -46.51 67.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 72.43 110.824 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.65 ' O ' HG23 ' A' ' 47' ' ' VAL . 59.7 p -63.05 -32.27 73.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 44.01 111.169 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 40' ' ' SER . 86.3 t -70.95 -52.69 25.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 74.23 111.114 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -59.75 -32.8 70.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 73.4 110.875 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 60.2 mt -69.72 -56.99 5.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 73.32 110.915 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 43' ' ' THR . 97.2 t -50.9 -42.27 23.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 60.42 111.141 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 2.4 mmm -66.88 -44.21 81.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 73.15 110.816 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.25 -30.47 66.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 73.34 111.1 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.636 HD22 HG11 ' A' ' 76' ' ' VAL . 52.9 mt -76.1 -55.37 5.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 74.21 110.906 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -61.03 -18.09 55.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 24.04 110.91 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 28.1 tp10 -95.15 -56.41 2.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 72.41 110.886 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -66.52 -57.39 7.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 61.21 110.876 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -76.54 -5.3 47.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 71.22 110.896 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.1 t0 50.66 49.19 21.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 71.22 110.869 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.2 t -108.71 134.37 51.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 64.32 111.167 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -63.04 111.96 2.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 63.41 110.864 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.62 HG21 HG13 ' A' ' 47' ' ' VAL . 43.1 mm -131.64 78.05 71.71 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.653 0.74 . . . . 72.03 111.146 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -171.21 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.615 2.21 . . . . 75.42 112.372 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -54.73 -54.09 46.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 72.43 110.873 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -51.92 -64.07 0.93 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 74.05 110.91 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -55.88 -25.35 42.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 75.12 110.869 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.56 -26.11 54.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 73.1 111.09 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -82.61 -27.75 31.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.248 -0.433 . . . . 73.42 110.907 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.1 ptmt -87.43 -32.89 19.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 72.11 110.917 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 32.0 mm -87.46 90.66 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 52.22 111.127 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.8 t -134.49 16.28 3.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.167 -0.47 . . . . 61.21 111.123 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.744 HG22 ' OG ' ' A' ' 31' ' ' SER . 49.4 p -137.59 178.12 7.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 73.33 111.152 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.496 ' O ' HG22 ' A' ' 73' ' ' ILE . 61.0 t -74.81 -61.53 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 74.32 111.148 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 22.9 tp60 -50.99 -39.19 55.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 71.42 110.931 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.89 -48.08 72.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 70.32 111.094 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.506 ' HB1' HD11 ' A' ' 50' ' ' LEU . . . -65.56 -58.81 4.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 74.55 111.119 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.932 HD12 HG21 ' A' ' 11' ' ' VAL . 1.7 tp -51.32 -37.1 17.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 74.32 111.154 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -67.26 -44.02 80.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 73.22 110.902 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -59.93 -64.85 0.8 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 72.13 110.926 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.636 HG11 HD22 ' A' ' 50' ' ' LEU . 20.3 m -51.92 -40.03 27.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 73.22 111.132 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -61.71 -45.68 92.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.168 -0.469 . . . . 51.11 110.901 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 39.6 t -70.78 -28.74 64.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 62.52 110.848 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 20.4 m80 -99.08 62.52 1.28 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 64.42 110.854 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 72.4 110.923 -179.924 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.0 m . . . . . 0 N--CA 1.458 -0.035 0 CA-C-O 120.92 0.39 . . . . 61.12 110.904 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -54.87 -56.88 14.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.067 -0.515 . . . . 33.04 110.907 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.65 ' O ' HG23 ' A' ' 11' ' ' VAL . 48.4 mt -54.76 -40.46 51.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 60.42 111.128 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -53.83 -60.94 2.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.484 . . . . 65.1 110.921 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -59.27 -41.45 88.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 74.23 110.906 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -58.67 -65.57 0.64 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 73.02 110.86 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 7' ' ' ILE . 42.0 t -48.19 -41.15 10.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 62.44 111.128 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.559 ' O ' HG23 ' A' ' 16' ' ' VAL . 0.1 OUTLIER -59.35 -41.34 89.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 71.45 110.874 179.932 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.9 ttmt -65.0 -36.36 84.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 70.32 110.92 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 13.6 mm -63.56 -48.89 84.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 34.12 111.144 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.446 HG23 HD13 ' A' ' 19' ' ' LEU . 5.2 mt -67.1 -38.79 81.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 61.35 111.143 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 12' ' ' LYS . 94.1 t -73.34 -23.64 19.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 35.24 111.132 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -87.06 -26.12 23.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 74.13 110.897 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -89.6 -66.08 0.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 73.22 110.918 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.559 ' CD2' HD13 ' A' ' 36' ' ' LEU . 10.7 mp -57.42 -48.34 79.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 75.24 110.873 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 108.67 -15.54 34.64 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.715 -0.755 . . . . 55.34 112.473 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.491 ' O ' HG13 ' A' ' 16' ' ' VAL . 33.7 m -58.28 -175.99 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.804 0.335 . . . . 72.44 111.143 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -96.11 144.24 26.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 73.03 110.86 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.623 ' O ' HG12 ' A' ' 26' ' ' VAL . 12.4 pt-20 -63.26 -16.49 60.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 62.21 110.868 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.93 -18.54 43.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 64.34 111.079 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -99.42 43.02 1.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 74.33 110.885 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.623 HG12 ' O ' ' A' ' 23' ' ' GLU . 8.1 p -131.06 153.51 39.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 71.1 111.127 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.533 ' HG2' ' HB2' ' A' ' 30' ' ' ALA . 0.7 OUTLIER -154.83 159.53 40.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 73.43 110.89 179.916 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -80.14 -1.89 42.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 75.51 110.916 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -114.49 22.38 13.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 72.54 110.873 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.533 ' HB2' ' HG2' ' A' ' 27' ' ' LYS . . . -109.98 157.13 19.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 72.34 111.067 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.1 t -91.96 -169.96 2.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 75.35 110.865 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.663 ' CE2' HD13 ' A' ' 46' ' ' LEU . 3.2 m-30 -103.4 -32.88 9.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 73.44 110.88 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.691 HG23 ' O ' ' A' ' 38' ' ' ALA . 9.3 p -127.48 -36.25 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 73.13 111.113 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -64.31 -28.1 69.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 72.1 110.882 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -110.02 -68.73 0.91 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 72.45 110.919 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.559 HD13 ' CD2' ' A' ' 19' ' ' LEU . 34.8 mt -51.68 -29.95 20.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 71.34 110.909 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 78.32 18.18 76.63 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.76 -0.733 . . . . 74.33 112.486 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.691 ' O ' HG23 ' A' ' 33' ' ' VAL . . . -66.36 -169.66 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.78 0.324 . . . . 61.1 111.086 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -131.23 177.32 7.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 71.33 110.853 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.61 ' O ' HG23 ' A' ' 44' ' ' VAL . 5.1 m -51.84 -34.31 39.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 53.24 110.822 -179.725 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.4 tp -64.46 -43.11 95.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 75.25 110.915 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.612 ' CB ' ' HB1' ' A' ' 38' ' ' ALA . 4.4 m-20 -63.27 -53.82 46.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 63.12 110.863 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -51.76 -55.28 20.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 74.33 111.156 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 40' ' ' SER . 57.3 t -56.12 -44.44 78.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 73.03 111.133 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.51 -39.79 73.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 53.21 110.864 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.663 HD13 ' CE2' ' A' ' 32' ' ' PHE . 37.4 mt -66.03 -50.09 65.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 61.42 110.893 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.62 HG13 ' CG2' ' A' ' 58' ' ' ILE . 96.7 t -51.38 -56.1 6.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 61.44 111.125 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 21.7 ptp -59.8 -37.31 78.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 44.43 110.865 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.65 -33.56 72.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 72.11 111.109 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.458 ' HB2' HD12 ' A' ' 58' ' ' ILE . 95.3 mt -75.27 -57.35 3.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 72.23 110.923 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -59.47 -19.57 48.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 71.41 110.914 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -93.14 -59.71 1.97 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 61.24 110.892 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -64.18 -59.38 4.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 64.11 110.911 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -74.14 -7.53 52.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 73.02 110.876 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 59.15 35.2 23.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.12 -0.491 . . . . 71.33 110.827 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 31.6 p -92.52 176.22 6.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 71.33 111.102 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -112.98 84.59 2.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 71.03 110.9 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.62 ' CG2' HG13 ' A' ' 47' ' ' VAL . 50.8 mt -110.35 82.48 2.73 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.634 0.731 . . . . 74.12 111.137 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 -170.42 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.638 2.226 . . . . 74.35 112.339 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -65.5 -37.65 87.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 71.42 110.838 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -61.12 -51.76 67.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 74.3 110.868 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.64 -28.99 62.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 64.34 110.874 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.12 -44.51 97.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 52.12 111.103 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.73 -21.93 43.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 75.4 110.933 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.8 mtmt -84.74 -50.11 7.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 71.1 110.904 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.616 HD12 ' HA ' ' A' ' 72' ' ' ALA . 43.7 mm -63.93 92.77 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 74.22 111.123 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.521 HG23 HG23 ' A' ' 68' ' ' THR . 8.9 t -138.64 15.5 2.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 74.33 111.131 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.521 HG23 HG23 ' A' ' 67' ' ' THR . 70.9 p -150.39 153.12 35.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.242 -0.435 . . . . 75.21 111.165 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.51 HG21 ' O ' ' A' ' 27' ' ' LYS . 30.0 t -53.51 -49.28 55.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 71.2 111.139 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.09 -46.25 91.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 74.13 110.895 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.24 -38.57 89.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 55.52 111.084 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.616 ' HA ' HD12 ' A' ' 66' ' ' ILE . . . -71.89 -57.99 3.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 75.51 111.121 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.436 HD12 HG22 ' A' ' 7' ' ' ILE . 2.4 tp -53.78 -30.6 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 71.41 111.178 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -73.4 -53.45 10.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 63.05 110.812 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.564 ' HB2' HD11 ' A' ' 66' ' ' ILE . 12.0 t80 -51.81 -53.83 35.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 74.22 110.932 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 66.5 t -60.84 -52.94 55.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 63.11 111.163 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -55.21 -26.66 40.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 53.45 110.924 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.7 t -88.91 -26.99 21.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 45.43 110.876 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 21.7 m80 -96.36 56.68 1.6 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.5 . . . . 75.52 110.849 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 72.51 110.888 -179.931 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.8 p . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.864 0.364 . . . . 75.44 110.862 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -69.9 -46.93 64.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 64.44 110.881 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.72 ' O ' HG23 ' A' ' 11' ' ' VAL . 63.5 mt -52.17 -53.35 19.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 75.42 111.132 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -52.21 -59.24 4.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 73.3 110.913 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -53.57 -47.04 70.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.49 . . . . 72.13 110.866 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.736 ' O ' HD12 ' A' ' 14' ' ' ILE . 14.7 mmm180 -57.81 -52.05 67.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 73.25 110.9 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.747 ' O ' HD12 ' A' ' 15' ' ' ILE . 98.7 t -48.47 -56.82 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 73.44 111.103 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.659 ' O ' HG23 ' A' ' 16' ' ' VAL . 62.3 mmtt -52.26 -48.96 64.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 75.54 110.89 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.1 ttmt -51.59 -54.37 28.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 75.33 110.932 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.736 HD12 ' O ' ' A' ' 10' ' ' ARG . 2.9 mt -51.44 -60.45 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 71.32 111.119 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.747 HD12 ' O ' ' A' ' 11' ' ' VAL . 3.1 mt -51.83 -29.06 10.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 71.12 111.143 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 12' ' ' LYS . 78.6 t -79.35 -33.23 15.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 65.22 111.115 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -80.01 -29.24 39.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 72.14 110.884 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -80.6 -51.75 8.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 75.0 110.935 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.681 HD11 HD23 ' A' ' 36' ' ' LEU . 65.8 mt -81.53 -51.79 7.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 72.44 110.88 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.09 -16.87 27.38 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.76 -0.733 . . . . 53.32 112.523 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.469 ' O ' HG13 ' A' ' 16' ' ' VAL . 18.7 m -70.33 -175.02 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.773 0.32 . . . . 55.31 111.143 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -93.59 137.1 33.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 74.12 110.863 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -54.17 -35.84 62.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 74.22 110.9 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.47 -58.76 5.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 55.54 111.071 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -53.04 -39.6 63.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 71.25 110.847 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 62.0 t -66.69 114.1 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 73.25 111.128 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.7 mtmm -92.24 151.24 20.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 62.32 110.843 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -67.99 -31.2 70.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 53.34 110.907 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -96.32 28.21 3.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 71.02 110.911 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.506 ' HB1' ' CB ' ' A' ' 35' ' ' ASP . . . -115.01 139.6 49.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 63.2 111.084 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.604 ' HA ' HG22 ' A' ' 68' ' ' THR . 1.5 t -83.44 162.49 20.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 63.34 110.903 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.697 ' HA ' HD22 ' A' ' 36' ' ' LEU . 7.6 m-85 -75.77 -17.3 59.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 75.44 110.875 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.467 HG22 ' O ' ' A' ' 38' ' ' ALA . 25.1 t -123.7 -46.77 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 74.44 111.186 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -57.47 -67.65 0.31 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 70.1 110.889 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.506 ' CB ' ' HB1' ' A' ' 30' ' ' ALA . 2.9 m-20 -76.23 -63.16 1.39 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 74.01 110.855 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.697 HD22 ' HA ' ' A' ' 32' ' ' PHE . 6.8 mp -51.74 -74.85 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 64.24 110.929 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 119.89 32.32 1.2 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.755 -0.736 . . . . 72.25 112.44 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.51 ' HB1' ' HB2' ' A' ' 42' ' ' ASP . . . -97.91 172.25 7.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.834 0.35 . . . . 72.05 111.077 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -93.88 177.7 5.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 60.34 110.869 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.0 m -52.31 -39.25 60.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 63.11 110.839 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.45 HD13 ' O ' ' A' ' 41' ' ' LEU . 0.2 OUTLIER -51.63 -32.66 30.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 70.34 110.922 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.51 ' HB2' ' HB1' ' A' ' 38' ' ' ALA . 35.7 t0 -66.45 -56.26 11.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 70.32 110.854 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.562 HG22 ' HD2' ' A' ' 32' ' ' PHE . 82.8 p -51.71 -56.14 15.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 72.14 111.139 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.7 p -56.2 -38.83 56.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 72.44 111.12 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -57.72 -48.96 78.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 75.44 110.888 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.608 HD12 ' CE2' ' A' ' 32' ' ' PHE . 24.1 mt -60.43 -48.17 82.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 73.0 110.889 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.753 ' HA ' HD12 ' A' ' 50' ' ' LEU . 99.8 t -50.49 -49.73 23.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 62.44 111.103 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 44.4 mtp -59.29 -48.87 80.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 62.33 110.914 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.82 -32.0 59.88 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.236 -0.438 . . . . 75.33 111.072 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.753 HD12 ' HA ' ' A' ' 47' ' ' VAL . 11.8 mt -72.46 -46.3 55.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 54.33 110.963 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -78.46 -5.47 52.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 73.02 110.848 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -107.02 -24.68 11.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 73.03 110.921 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -108.29 -50.02 3.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 64.21 110.876 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.42 ' CD2' HG11 ' A' ' 76' ' ' VAL . 21.5 m-85 -86.49 -1.29 57.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 74.12 110.861 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.5 t70 51.75 30.18 6.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.129 -0.487 . . . . 73.53 110.897 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.743 HG21 HG12 ' A' ' 76' ' ' VAL . 4.5 t -94.63 122.07 36.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 72.14 111.1 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -64.29 118.55 8.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 62.45 110.867 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.557 HG21 HG13 ' A' ' 47' ' ' VAL . 48.1 mt -137.92 82.36 25.81 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.612 0.72 . . . . 61.22 111.14 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -169.31 0.32 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.649 2.233 . . . . 73.54 112.352 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -67.23 -35.37 79.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 73.21 110.832 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -65.52 -44.27 87.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 73.04 110.912 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -80.84 -22.61 39.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.485 . . . . 74.41 110.908 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.94 -46.54 65.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 74.3 111.056 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -52.12 -29.59 22.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.286 -0.415 . . . . 73.11 110.878 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.7 mttp -73.65 -48.6 31.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 65.22 110.86 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.482 HD12 ' HA ' ' A' ' 72' ' ' ALA . 50.3 mm -62.66 112.82 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.277 -0.419 . . . . 74.43 111.131 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 31.9 p -129.95 -38.47 1.45 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 74.42 111.175 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.604 HG22 ' HA ' ' A' ' 31' ' ' SER . 17.9 p -116.94 170.99 8.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 71.34 111.161 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 23.8 t -57.43 -49.82 79.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 55.21 111.152 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.7 tp60 -51.18 -42.79 61.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 54.0 110.876 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.83 -44.0 97.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 63.43 111.08 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.482 ' HA ' HD12 ' A' ' 66' ' ' ILE . . . -68.0 -58.35 4.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 72.23 111.104 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 3.3 tp -52.13 -33.44 16.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 74.1 111.122 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -70.91 -46.74 61.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 70.23 110.846 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -55.54 -55.58 30.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 75.11 110.929 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.743 HG12 HG21 ' A' ' 56' ' ' THR . 23.9 m -62.54 -38.43 81.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.487 . . . . 64.22 111.105 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -66.22 -24.67 66.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 64.31 110.908 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.6 t -93.89 -27.73 16.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 72.44 110.858 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 9.8 m80 -89.42 58.91 4.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 62.12 110.91 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 63.22 110.9 -179.891 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.5 p . . . . . 0 N--CA 1.458 -0.043 0 CA-C-O 120.879 0.371 . . . . 61.33 110.868 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -59.75 -58.21 9.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.096 -0.502 . . . . 72.32 110.907 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.669 ' O ' HG23 ' A' ' 11' ' ' VAL . 60.6 mt -51.87 -38.91 23.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 75.21 111.155 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -59.46 -71.7 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 73.23 110.891 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -50.04 -31.49 13.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.13 -0.486 . . . . 72.43 110.862 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.722 ' O ' HD12 ' A' ' 14' ' ' ILE . 0.7 OUTLIER -68.1 -60.79 2.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 74.42 110.857 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 7' ' ' ILE . 94.2 t -48.31 -36.32 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 71.54 111.159 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.523 ' O ' HG23 ' A' ' 16' ' ' VAL . 38.3 mmtm -67.63 -55.24 14.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 71.24 110.905 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.8 ptmt -50.98 -32.71 21.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 70.24 110.925 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.722 HD12 ' O ' ' A' ' 10' ' ' ARG . 3.4 mt -76.16 -59.88 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 73.53 111.135 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.514 HD12 HG12 ' A' ' 11' ' ' VAL . 66.3 mt -55.39 -24.6 15.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 65.22 111.097 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 12' ' ' LYS . 74.6 t -85.74 -40.67 14.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 54.44 111.141 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -73.07 -18.24 61.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 72.24 110.898 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -96.81 -51.77 4.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 72.21 110.897 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.637 HD13 HD23 ' A' ' 36' ' ' LEU . 46.8 mt -78.58 -50.28 11.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 55.14 110.879 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 109.8 -22.91 22.93 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.787 -0.72 . . . . 74.22 112.505 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 20.3 m -64.56 -178.93 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.812 0.339 . . . . 71.2 111.121 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.69 ' O ' HG23 ' A' ' 26' ' ' VAL . 1.8 t70 -90.17 132.16 35.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 74.04 110.865 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -52.13 -31.02 29.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 51.2 110.889 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.28 -58.69 4.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 54.01 111.107 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -53.92 -27.88 33.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 73.03 110.878 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.69 HG23 ' O ' ' A' ' 22' ' ' ASP . 66.7 t -67.11 89.6 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 71.01 111.132 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -59.73 131.16 50.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 71.42 110.905 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -61.72 -42.92 99.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.452 . . . . 73.3 110.881 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -69.28 -23.96 63.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 65.11 110.869 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.489 ' HB1' ' CB ' ' A' ' 35' ' ' ASP . . . -71.89 166.58 21.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 75.31 111.146 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.666 ' OG ' HG22 ' A' ' 68' ' ' THR . 11.5 t -107.45 -175.79 2.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.243 -0.435 . . . . 63.21 110.88 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.637 ' HB2' HG22 ' A' ' 43' ' ' THR . 13.1 m-85 -80.48 -33.22 36.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 75.44 110.923 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.522 HG13 ' O ' ' A' ' 38' ' ' ALA . 63.9 t -126.19 -39.48 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 73.11 111.137 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -52.48 -29.46 24.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 64.21 110.866 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.489 ' CB ' ' HB1' ' A' ' 30' ' ' ALA . 1.0 OUTLIER -118.14 -66.12 1.11 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 62.43 110.874 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.637 HD23 HD13 ' A' ' 19' ' ' LEU . 8.1 mp -51.79 -37.49 51.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 71.42 110.906 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 89.99 15.91 56.96 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.699 -0.762 . . . . 33.42 112.485 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.522 ' O ' HG13 ' A' ' 33' ' ' VAL . . . -63.42 -169.49 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.816 0.341 . . . . 41.33 111.075 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -109.98 -176.55 3.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 72.13 110.822 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.6 t -65.59 -45.33 83.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 61.15 110.827 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.2 tp -51.78 -39.72 59.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.481 . . . . 73.44 110.896 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.502 ' CG ' ' HB1' ' A' ' 38' ' ' ALA . 2.1 m-20 -55.75 -60.42 3.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.236 -0.438 . . . . 63.2 110.85 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.637 HG22 ' HB2' ' A' ' 32' ' ' PHE . 82.1 p -51.46 -53.76 33.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 71.24 111.14 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 77.6 t -54.45 -45.37 70.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 53.15 111.141 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -53.93 -46.52 71.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 74.03 110.881 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.474 HD12 ' CE2' ' A' ' 32' ' ' PHE . 44.1 mt -60.51 -49.33 78.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 51.14 110.907 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.766 HG13 HG21 ' A' ' 58' ' ' ILE . 98.6 t -49.69 -50.25 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 73.21 111.14 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 67.1 mtp -59.87 -45.67 91.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 75.42 110.889 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.69 -33.16 63.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 72.42 111.142 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.544 HD22 HG21 ' A' ' 76' ' ' VAL . 83.4 mt -72.07 -50.3 29.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 71.2 110.874 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -73.25 -7.4 51.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 62.4 110.862 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 55.1 tt0 -101.13 -43.52 5.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 63.33 110.879 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -88.85 -50.99 5.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 74.32 110.912 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.46 ' CB ' HG23 ' A' ' 56' ' ' THR . 34.4 m-85 -85.67 -6.81 59.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 72.04 110.875 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 51.14 37.8 19.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 74.32 110.82 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.46 HG23 ' CB ' ' A' ' 54' ' ' PHE . 43.5 p -86.87 141.24 28.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 60.41 111.15 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -74.76 85.86 2.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 72.45 110.903 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.766 HG21 HG13 ' A' ' 47' ' ' VAL . 49.0 mm -110.19 80.23 1.82 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.628 0.728 . . . . 72.12 111.143 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -167.32 0.22 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.662 2.241 . . . . 64.23 112.361 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -63.48 -53.15 56.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 45.21 110.876 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -52.05 -48.1 64.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 73.52 110.939 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -73.02 -24.37 60.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 72.5 110.893 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.32 -24.35 59.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 74.42 111.084 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 -82.38 -29.88 30.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 71.55 110.88 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.6 ptmm? -86.64 -33.38 20.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 75.24 110.897 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 33.2 mm -89.75 77.53 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 72.32 111.125 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.3 t -124.32 13.22 8.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 74.44 111.142 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.666 HG22 ' OG ' ' A' ' 31' ' ' SER . 15.4 p -132.85 153.2 51.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 71.12 111.17 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 60.5 t -51.41 -60.7 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 74.05 111.172 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -51.84 -42.81 62.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 42.5 110.93 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.33 -45.4 93.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 40.03 111.101 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.94 -58.04 5.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 40.22 111.108 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 3.1 tp -53.73 -32.87 22.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 73.44 111.143 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -70.06 -50.53 40.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 72.51 110.859 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -54.3 -61.01 2.58 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.233 -0.439 . . . . 72.34 110.917 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.544 HG21 HD22 ' A' ' 50' ' ' LEU . 39.3 t -53.91 -51.19 47.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.501 . . . . 73.34 111.106 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -52.31 -35.73 51.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 55.34 110.887 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.6 t -80.42 -28.88 37.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 51.25 110.871 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 23.2 m80 -100.85 51.35 0.86 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 64.13 110.886 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.468 . . . . 74.23 110.903 -179.926 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.3 p . . . . . 0 N--CA 1.458 -0.051 0 CA-C-O 120.892 0.377 . . . . 63.3 110.884 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -55.63 -58.51 7.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 71.21 110.898 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.581 HG23 ' CZ ' ' A' ' 54' ' ' PHE . 6.8 mt -54.15 -42.2 54.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 55.51 111.077 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -50.8 -54.05 26.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 71.31 110.844 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.9 tp10 -64.1 -32.39 73.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 73.52 110.873 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.701 ' O ' HD12 ' A' ' 14' ' ' ILE . 0.0 OUTLIER -66.55 -66.14 0.59 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 74.51 110.891 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.464 HG13 ' N ' ' A' ' 12' ' ' LYS . 8.6 p -49.58 -43.43 18.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 71.51 111.103 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.611 ' O ' HG23 ' A' ' 16' ' ' VAL . 1.4 mptm? -62.28 -49.06 77.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 75.31 110.88 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -50.92 -48.18 60.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 75.1 110.906 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.701 HD12 ' O ' ' A' ' 10' ' ' ARG . 3.0 mt -61.84 -58.39 7.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 62.4 111.111 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.444 ' CD1' HG22 ' A' ' 11' ' ' VAL . 49.4 mt -51.35 -30.97 11.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 73.4 111.144 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 12' ' ' LYS . 81.2 t -80.57 -32.61 13.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 74.43 111.113 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -80.3 -18.93 47.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 34.44 110.872 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.3 mm100 -93.27 -58.48 2.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 65.02 110.943 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.729 HD11 ' OD1' ' A' ' 42' ' ' ASP . 10.6 mp -76.48 -49.03 17.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 74.54 110.871 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 109.36 -20.69 27.62 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.731 -0.747 . . . . 53.1 112.458 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 29.3 m -54.87 172.47 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.875 0.369 . . . . 72.21 111.1 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.627 ' O ' HG23 ' A' ' 26' ' ' VAL . 12.2 t0 -83.1 130.09 35.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 55.4 110.836 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.59 ' HB3' HG21 ' A' ' 16' ' ' VAL . 1.6 pp20? -51.97 -30.14 23.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 54.52 110.912 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.75 -58.84 4.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 45.33 111.094 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -54.77 -27.18 39.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 43.23 110.873 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 22' ' ' ASP . 65.7 t -69.45 87.75 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 72.43 111.113 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -69.79 145.83 51.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 62.14 110.859 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -66.43 -38.31 87.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.463 . . . . 61.23 110.875 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -90.81 52.62 2.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 71.24 110.885 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.543 ' HB1' ' CG ' ' A' ' 35' ' ' ASP . . . -142.85 139.12 30.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 63.1 111.092 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.457 ' CB ' HG22 ' A' ' 68' ' ' THR . 5.3 m -80.11 162.75 24.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 43.34 110.882 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.684 ' HA ' HD12 ' A' ' 36' ' ' LEU . 16.7 m-85 -72.57 -23.49 60.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 74.25 110.892 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.492 HG22 ' C ' ' A' ' 38' ' ' ALA . 60.3 t -127.15 -49.06 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 75.25 111.162 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -53.36 -28.58 29.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 74.31 110.917 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.543 ' CG ' ' HB1' ' A' ' 30' ' ' ALA . 26.5 t70 -110.49 -71.26 0.77 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 71.24 110.876 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.684 HD12 ' HA ' ' A' ' 32' ' ' PHE . 30.6 mt -53.9 -61.6 2.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 72.33 110.959 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 120.55 21.97 3.19 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.702 -0.761 . . . . 61.42 112.441 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.529 ' HB1' ' CB ' ' A' ' 42' ' ' ASP . . . -72.59 -174.54 1.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.761 0.315 . . . . 74.31 111.076 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -114.46 175.3 5.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 74.2 110.83 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 26.3 t -52.16 -42.76 63.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 60.32 110.832 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.7 tp -56.4 -32.0 64.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 73.24 110.904 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.729 ' OD1' HD11 ' A' ' 19' ' ' LEU . 5.4 t70 -66.68 -55.62 14.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 72.14 110.843 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.51 HG22 ' HD2' ' A' ' 32' ' ' PHE . 34.6 p -53.05 -54.67 31.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 60.31 111.094 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 27.7 m -57.47 -37.28 56.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 62.13 111.139 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -58.8 -48.38 81.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 72.14 110.852 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.548 HD12 ' CE2' ' A' ' 32' ' ' PHE . 26.9 mt -62.37 -46.16 89.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.45 . . . . 61.44 110.958 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.579 HG13 HG21 ' A' ' 58' ' ' ILE . 97.2 t -51.32 -49.29 31.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 74.24 111.089 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.6 mmt -62.42 -45.58 92.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 73.05 110.851 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.37 -29.3 63.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 61.23 111.115 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 77.9 mt -75.59 -55.59 5.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.457 . . . . 73.13 110.958 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -61.82 -17.32 55.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 72.43 110.831 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.5 tm-20 -95.28 -57.09 2.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 74.32 110.903 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -66.86 -55.81 13.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 73.1 110.855 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.581 ' CZ ' HG23 ' A' ' 7' ' ' ILE . 25.2 m-85 -79.32 -2.23 40.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 72.43 110.903 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 51.88 39.87 26.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 75.33 110.884 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.448 HG23 ' HB3' ' A' ' 54' ' ' PHE . 38.6 p -96.22 166.02 11.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 64.24 111.123 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -103.38 84.97 2.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 74.4 110.903 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.579 HG21 HG13 ' A' ' 47' ' ' VAL . 50.5 mm -111.4 79.48 2.25 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.61 0.719 . . . . 52.11 111.144 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -170.35 0.39 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.706 2.271 . . . . 72.3 112.311 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -54.52 -45.08 73.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 72.11 110.864 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -56.81 -63.98 1.03 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 75.13 110.844 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.12 -18.23 56.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 71.44 110.889 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.38 -31.57 48.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 74.32 111.085 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -75.09 -31.99 61.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 72.41 110.88 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.3 ptmt -82.8 -32.08 27.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 73.24 110.838 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 40.5 mm -92.78 82.62 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 74.21 111.1 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.0 t -125.18 21.19 8.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 64.42 111.135 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.457 HG22 ' CB ' ' A' ' 31' ' ' SER . 33.9 p -147.68 153.79 39.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 61.11 111.184 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 97.7 t -51.68 -60.56 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.439 . . . . 73.43 111.15 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -51.22 -40.36 58.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 75.31 110.905 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.1 -48.08 77.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 55.34 111.096 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.88 -56.48 15.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 72.42 111.077 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.441 HD13 HG11 ' A' ' 11' ' ' VAL . 5.4 tp -54.58 -32.86 25.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 75.41 111.127 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -69.19 -45.97 68.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.446 . . . . 75.14 110.795 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.42 ' CE1' HD11 ' A' ' 58' ' ' ILE . 3.0 t80 -59.6 -61.6 2.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 63.12 110.935 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 60.8 t -52.58 -50.26 41.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 61.12 111.143 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -58.08 -32.98 68.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 75.44 110.916 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 29.0 t -77.75 -32.44 52.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 63.34 110.89 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 13.0 m80 -99.79 33.58 2.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 73.44 110.875 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 70.04 110.972 -179.976 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 p . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.853 0.359 . . . . 63.35 110.867 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -68.47 -56.75 7.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.479 . . . . 72.22 110.908 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.659 ' O ' HG23 ' A' ' 11' ' ' VAL . 97.1 mt -51.57 -52.08 22.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 74.33 111.167 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -50.91 -53.28 34.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 62.33 110.906 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -58.83 -54.59 45.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 33.44 110.908 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.695 ' O ' HD12 ' A' ' 14' ' ' ILE . 3.8 mtp85 -51.52 -53.84 33.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 63.11 110.855 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.744 ' O ' HD12 ' A' ' 15' ' ' ILE . 95.1 t -48.65 -58.63 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 73.34 111.114 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.672 ' O ' HG23 ' A' ' 16' ' ' VAL . 39.0 mmtm -51.13 -47.21 62.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 61.11 110.889 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.7 ttpt -51.89 -56.14 15.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 70.43 110.889 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.695 HD12 ' O ' ' A' ' 10' ' ' ARG . 3.0 mt -50.68 -56.58 4.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.454 . . . . 74.33 111.108 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.744 HD12 ' O ' ' A' ' 11' ' ' VAL . 3.1 mt -54.82 -28.26 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 64.54 111.123 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.672 HG23 ' O ' ' A' ' 12' ' ' LYS . 79.4 t -82.16 -24.93 9.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 64.23 111.136 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -91.53 -15.83 28.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 73.2 110.883 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -96.26 -53.54 3.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 62.32 110.922 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -83.87 -36.98 23.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.236 -0.438 . . . . 74.13 110.886 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.09 -18.92 55.81 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.742 . . . . 72.31 112.496 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 20.4 m -58.8 178.65 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.837 0.351 . . . . 63.52 111.122 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.54 ' O ' HG23 ' A' ' 26' ' ' VAL . 20.0 m-20 -83.41 139.34 33.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 73.31 110.909 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.542 ' HB3' HG21 ' A' ' 16' ' ' VAL . 10.2 pt-20 -63.37 -24.84 68.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 71.34 110.878 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.92 -63.24 1.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 53.43 111.134 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -52.08 -29.89 23.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 71.11 110.902 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 22' ' ' ASP . 90.4 t -69.94 101.13 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 65.14 111.159 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 52.6 mttt -98.59 173.27 7.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 61.44 110.904 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -95.33 14.0 23.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 52.44 110.891 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -123.16 23.75 9.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 74.24 110.897 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -124.52 -175.02 3.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 65.34 111.124 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.758 ' O ' HD23 ' A' ' 36' ' ' LEU . 15.4 m -128.59 -169.8 2.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 75.34 110.846 -179.79 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.62 ' HD2' HG22 ' A' ' 43' ' ' THR . 6.6 m-85 -100.65 -40.92 7.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 73.43 110.915 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.678 HG23 ' O ' ' A' ' 38' ' ' ALA . 7.6 p -122.93 -34.74 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 71.14 111.126 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -60.52 -26.15 66.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 62.55 110.876 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -123.11 -65.77 1.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 64.13 110.898 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.758 HD23 ' O ' ' A' ' 31' ' ' SER . 3.7 mm? -51.83 -36.84 49.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 74.52 110.965 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.32 18.56 57.07 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.726 -0.749 . . . . 65.14 112.462 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.678 ' O ' HG23 ' A' ' 33' ' ' VAL . . . -63.95 -169.55 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.807 0.337 . . . . 55.3 111.076 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -108.42 -176.96 3.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 72.43 110.888 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.6 t -66.44 -38.03 86.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 75.33 110.888 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.9 tp -56.65 -35.2 68.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 50.22 110.953 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -61.99 -59.63 4.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 45.42 110.907 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.62 HG22 ' HD2' ' A' ' 32' ' ' PHE . 19.0 p -51.45 -53.06 40.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 63.34 111.153 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 57.7 t -57.67 -35.62 51.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 70.32 111.139 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -61.27 -49.87 75.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 75.25 110.93 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.557 HD12 ' CE2' ' A' ' 32' ' ' PHE . 23.0 mt -62.99 -46.3 88.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.096 -0.502 . . . . 73.03 110.905 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.789 HG13 HG21 ' A' ' 58' ' ' ILE . 91.2 t -51.2 -50.88 24.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 71.4 111.089 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 16.1 mtp -60.42 -49.37 77.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 73.53 110.878 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.43 -29.17 48.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 33.43 111.049 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.632 HD12 ' HA ' ' A' ' 47' ' ' VAL . 14.8 mt -75.66 -49.31 18.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 74.44 110.942 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -73.81 -7.02 50.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 73.51 110.86 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -104.6 -42.26 5.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 65.22 110.867 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -87.13 -45.72 10.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 72.1 110.875 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -94.52 -1.58 53.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 70.1 110.851 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 50.95 30.78 5.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 62.1 110.877 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.75 HG21 HG12 ' A' ' 76' ' ' VAL . 5.0 t -91.36 120.03 31.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 73.12 111.142 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -59.4 134.94 57.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.43 . . . . 75.2 110.879 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.789 HG21 HG13 ' A' ' 47' ' ' VAL . 32.6 mm -144.49 81.99 10.79 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.577 0.703 . . . . 63.21 111.15 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -165.84 0.17 Allowed 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.627 2.218 . . . . 71.54 112.376 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -69.72 -52.15 28.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 75.32 110.903 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -54.39 -32.4 57.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 75.23 110.914 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -89.59 -24.93 21.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 73.42 110.941 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.18 -25.58 61.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 73.1 111.139 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -80.25 -34.51 37.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 72.0 110.864 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.7 pttp -81.3 -32.84 32.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 73.11 110.895 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 48.6 mm -89.83 95.05 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 74.43 111.192 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 80.7 p -141.17 20.45 2.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 65.31 111.145 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.446 HG22 ' HB3' ' A' ' 31' ' ' SER . 17.7 p -144.84 167.8 21.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.182 -0.463 . . . . 74.44 111.118 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 67.8 t -61.45 -60.5 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 71.3 111.162 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 8.2 tp60 -50.7 -45.04 58.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 63.23 110.893 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.61 -42.9 97.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 73.31 111.107 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.02 -59.61 2.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 65.32 111.153 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.531 HD12 HG21 ' A' ' 11' ' ' VAL . 5.4 tp -52.36 -34.64 18.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 64.3 111.114 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -69.95 -46.01 66.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.45 . . . . 74.33 110.848 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.463 ' CZ ' HD13 ' A' ' 58' ' ' ILE . 4.8 t80 -56.74 -59.02 5.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 75.01 110.926 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.75 HG12 HG21 ' A' ' 56' ' ' THR . 21.3 m -58.96 -39.1 77.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 54.32 111.121 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -58.67 -38.82 79.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 71.04 110.893 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 65.0 p -81.39 -26.38 35.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 62.54 110.875 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 17.4 m80 -97.83 60.94 1.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 74.42 110.826 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 71.31 110.927 -179.937 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.4 t . . . . . 0 C--O 1.23 0.045 0 CA-C-O 120.895 0.379 . . . . 64.23 110.85 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -63.02 -50.78 69.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 72.12 110.882 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.673 ' O ' HG23 ' A' ' 11' ' ' VAL . 55.7 mt -51.33 -52.54 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 73.5 111.135 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -50.56 -54.75 20.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 55.24 110.907 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -58.76 -50.35 74.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 63.05 110.876 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -54.96 -62.92 1.34 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 65.24 110.898 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.706 ' O ' HD12 ' A' ' 15' ' ' ILE . 45.3 t -45.71 -55.14 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 65.34 111.157 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.573 ' O ' HG23 ' A' ' 16' ' ' VAL . 3.4 mmtp -50.2 -39.14 43.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 73.14 110.85 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.5 ttmt -66.36 -36.2 82.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 71.43 110.938 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 9.6 mm -63.11 -50.19 80.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 44.5 111.118 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.706 HD12 ' O ' ' A' ' 11' ' ' VAL . 3.6 mp -64.21 -37.62 80.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 74.54 111.117 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 12' ' ' LYS . 98.8 t -74.69 -23.63 17.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 51.32 111.132 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -89.29 -25.62 21.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 74.52 110.887 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -91.33 -65.1 1.04 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 73.02 110.913 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 58.2 mt -61.02 -49.17 78.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.464 . . . . 54.21 110.897 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.58 19.26 20.89 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.732 -0.747 . . . . 62.1 112.485 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.497 ' O ' HG13 ' A' ' 16' ' ' VAL . 26.8 m -107.31 -178.7 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.835 0.35 . . . . 63.42 111.104 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -88.7 141.19 28.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 64.24 110.844 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -52.17 -31.91 33.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 72.11 110.902 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.59 -30.09 19.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 52.0 111.098 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -68.48 -41.32 80.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 74.01 110.912 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.402 HG13 HG11 ' A' ' 69' ' ' VAL . 57.5 t -65.55 100.7 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 63.3 111.141 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.6 mttp -92.93 -0.14 57.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 71.23 110.894 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 20.8 m120 59.25 19.53 7.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 72.11 110.838 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -129.92 7.78 5.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 74.2 110.881 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.724 ' HB1' ' CB ' ' A' ' 35' ' ' ASP . . . -127.41 -177.17 3.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 62.43 111.054 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.58 ' HB3' HG22 ' A' ' 68' ' ' THR . 2.3 m -112.75 -177.56 3.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 71.02 110.837 -179.757 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.564 ' HB2' HG22 ' A' ' 43' ' ' THR . 11.4 m-85 -84.14 -33.64 24.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 73.44 110.861 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 38' ' ' ALA . 9.1 p -121.63 -33.83 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 62.54 111.165 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -63.39 -22.98 67.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 72.14 110.877 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.724 ' CB ' ' HB1' ' A' ' 30' ' ' ALA . 9.9 t70 -120.12 -74.01 0.63 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 74.41 110.894 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 44.1 mt -51.54 -33.89 34.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 63.32 110.875 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 85.52 21.09 55.16 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.723 -0.751 . . . . 73.44 112.496 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.693 ' O ' HG23 ' A' ' 33' ' ' VAL . . . -61.72 -169.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.823 0.344 . . . . 51.21 111.085 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -113.48 -179.23 3.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 72.2 110.876 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.434 ' O ' HG23 ' A' ' 44' ' ' VAL . 40.7 m -63.42 -38.08 89.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 64.02 110.862 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.0 tp -57.99 -34.92 70.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 53.53 110.941 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -66.71 -59.31 3.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 60.54 110.895 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.564 HG22 ' HB2' ' A' ' 32' ' ' PHE . 41.0 p -51.71 -52.87 45.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 72.42 111.15 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 40' ' ' SER . 58.1 t -58.37 -38.96 72.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 65.44 111.151 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -58.01 -46.47 85.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 73.12 110.892 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.557 HD12 ' CE2' ' A' ' 32' ' ' PHE . 30.6 mt -62.69 -49.41 75.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 75.14 110.923 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.69 HG13 HG21 ' A' ' 58' ' ' ILE . 98.0 t -51.24 -50.49 26.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 74.34 111.143 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.09 -41.07 95.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 74.14 110.903 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.63 -33.17 71.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 74.35 111.103 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.812 HD22 HG21 ' A' ' 76' ' ' VAL . 75.9 mt -72.84 -56.33 5.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 60.44 110.93 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.42 -12.98 57.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 73.11 110.918 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -94.37 -52.98 4.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 74.31 110.926 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.56 -57.25 3.96 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.17 -0.468 . . . . 71.14 110.905 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.575 ' HB3' HG23 ' A' ' 56' ' ' THR . 27.2 m-85 -75.18 -5.94 47.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 74.21 110.863 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 52.09 37.51 21.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 75.43 110.82 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.575 HG23 ' HB3' ' A' ' 54' ' ' PHE . 50.9 p -87.93 165.27 15.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 71.02 111.152 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -98.44 85.17 3.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 75.54 110.909 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.69 HG21 HG13 ' A' ' 47' ' ' VAL . 51.4 mm -111.62 77.8 1.89 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.6 0.714 . . . . 74.12 111.146 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -170.15 0.37 Allowed 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.732 2.288 . . . . 71.23 112.343 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -53.74 -48.98 69.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 71.13 110.883 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 82.0 mt-10 -54.42 -66.84 0.33 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 74.02 110.904 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -55.28 -25.65 35.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 74.3 110.85 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.31 -28.48 61.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 22.44 111.102 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -79.01 -33.98 44.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 74.33 110.892 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -81.06 -32.65 33.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 75.54 110.908 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.4 HD11 ' HD2' ' A' ' 75' ' ' TYR . 30.6 mm -90.06 85.23 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 54.54 111.167 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.0 t -128.07 19.75 6.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 55.2 111.175 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.58 HG22 ' HB3' ' A' ' 31' ' ' SER . 16.9 p -139.74 175.87 9.21 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.185 -0.462 . . . . 73.45 111.129 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.402 HG11 HG13 ' A' ' 26' ' ' VAL . 16.4 t -73.19 -63.33 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 62.41 111.126 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.422 ' HA ' HG22 ' A' ' 73' ' ' ILE . 6.3 tp-100 -50.81 -39.19 52.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 60.53 110.863 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.02 -43.83 94.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 54.23 111.104 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.91 -57.23 5.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 73.15 111.107 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.666 HD12 HG21 ' A' ' 11' ' ' VAL . 6.5 tp -53.91 -33.89 24.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 75.41 111.11 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -69.52 -50.22 47.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 63.35 110.877 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.4 ' CE1' HD11 ' A' ' 58' ' ' ILE . 2.4 t80 -54.11 -62.42 1.67 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 73.24 110.877 -179.786 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.812 HG21 HD22 ' A' ' 50' ' ' LEU . 85.2 t -52.69 -50.57 40.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.49 . . . . 74.1 111.179 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.652 ' HA ' HD13 ' A' ' 7' ' ' ILE . 23.9 t-20 -58.62 -26.5 63.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 71.24 110.855 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.9 t -83.88 -35.62 23.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 61.01 110.87 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 17.1 m80 -96.95 54.59 1.27 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.082 -0.508 . . . . 63.35 110.856 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 71.12 110.949 -179.956 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 m . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.869 0.366 . . . . 65.33 110.826 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -61.4 -55.04 35.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 64.33 110.873 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.633 ' O ' HG23 ' A' ' 11' ' ' VAL . 31.5 mt -51.59 -43.37 32.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 71.32 111.175 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -52.13 -58.46 6.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.463 . . . . 74.5 110.926 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 23.2 tp10 -60.03 -41.75 92.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 74.31 110.881 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.9 mmp_? -59.35 -65.89 0.6 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 65.3 110.876 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.731 ' O ' HD12 ' A' ' 15' ' ' ILE . 39.9 t -45.79 -47.5 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 55.03 111.139 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.68 ' O ' HG23 ' A' ' 16' ' ' VAL . 2.1 mptp? -51.67 -52.77 45.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 73.53 110.886 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.3 ttmm -54.04 -38.64 65.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.424 . . . . 72.33 110.901 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 11.8 mm -59.62 -64.32 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 74.33 111.127 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.731 HD12 ' O ' ' A' ' 11' ' ' VAL . 3.3 mp -51.32 -28.82 8.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 74.31 111.104 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.68 HG23 ' O ' ' A' ' 12' ' ' LYS . 78.4 t -72.78 -54.53 15.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 51.11 111.133 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -60.29 -24.78 65.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 72.34 110.88 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.0 mm100 -82.84 -48.42 10.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 70.31 110.954 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.598 HD21 ' HB3' ' A' ' 36' ' ' LEU . 8.9 mp -89.17 -75.46 0.44 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 73.41 110.931 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 137.4 -17.04 3.56 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.738 -0.744 . . . . 52.43 112.489 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 22.7 m -60.11 -179.15 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.835 0.35 . . . . 64.43 111.125 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.55 127.76 34.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 71.33 110.863 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.41 -29.92 26.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 62.21 110.888 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.74 -45.9 84.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 64.03 111.111 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -60.85 -29.98 69.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 74.43 110.892 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 24.5 t -66.84 118.4 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 62.12 111.13 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.9 mtmt -104.25 165.97 10.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 75.14 110.887 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -77.04 -26.86 54.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 73.4 110.871 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -95.75 25.53 4.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 74.12 110.856 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.63 156.56 16.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 24.44 111.098 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.541 ' HA ' HG22 ' A' ' 68' ' ' THR . 8.3 t -91.29 -169.61 2.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 53.32 110.864 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.605 ' HD2' HG22 ' A' ' 43' ' ' THR . 3.3 m-30 -108.0 -22.59 12.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 74.04 110.867 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 19.1 m -135.13 -39.73 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.472 . . . . 51.12 111.128 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -64.58 -27.14 68.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 62.23 110.902 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -109.55 -44.2 3.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 62.43 110.862 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.598 ' HB3' HD21 ' A' ' 19' ' ' LEU . 14.7 mt -77.0 -4.37 43.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 72.13 110.945 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 61.75 15.8 49.24 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.684 -0.77 . . . . 71.04 112.506 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -80.98 -170.69 2.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.821 0.343 . . . . 74.43 111.077 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -135.13 -77.78 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 74.44 110.849 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.621 ' O ' HG23 ' A' ' 44' ' ' VAL . 2.8 m -133.1 -40.76 0.91 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 73.3 110.88 -179.753 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.587 HD12 ' N ' ' A' ' 42' ' ' ASP . 3.2 pp -51.64 -31.15 24.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 65.12 110.931 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.587 ' N ' HD12 ' A' ' 41' ' ' LEU . 4.3 t70 -69.16 -65.52 0.7 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 71.2 110.886 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.605 HG22 ' HD2' ' A' ' 32' ' ' PHE . 42.4 p -49.29 -40.94 36.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 71.34 111.109 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 40' ' ' SER . 79.3 t -61.99 -50.06 81.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 52.31 111.102 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.05 -38.28 90.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 74.23 110.855 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.419 HD22 HG13 ' A' ' 15' ' ' ILE . 57.6 mt -67.64 -59.23 3.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.184 -0.462 . . . . 52.42 110.931 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.607 HG13 ' CG2' ' A' ' 58' ' ' ILE . 89.3 t -50.42 -43.55 22.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 54.13 111.142 179.783 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 7.9 mtt -70.57 -41.37 72.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 75.31 110.868 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.54 -25.57 66.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 43.32 111.107 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 84.3 mt -83.9 -55.69 4.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 64.11 110.915 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -59.41 -20.49 55.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 73.1 110.888 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 -92.5 -56.83 2.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 74.33 110.917 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 25.8 tp10 -66.55 -61.62 1.89 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 74.44 110.951 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.494 ' HB3' HG23 ' A' ' 56' ' ' THR . 17.3 m-85 -70.5 -10.92 60.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 61.23 110.885 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 59.46 41.2 19.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 60.31 110.836 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.494 HG23 ' HB3' ' A' ' 54' ' ' PHE . 76.0 p -99.17 166.91 11.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 75.41 111.087 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -101.63 85.57 2.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 64.21 110.879 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.607 ' CG2' HG13 ' A' ' 47' ' ' VAL . 48.1 mm -111.33 79.07 2.04 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.616 0.722 . . . . 61.2 111.146 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -170.91 0.42 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.71 2.274 . . . . 71.44 112.327 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -54.57 -47.12 73.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 72.1 110.851 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -55.38 -63.91 1.01 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 74.01 110.87 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -60.59 -19.12 56.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 73.35 110.874 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.28 -29.12 47.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 64.32 111.101 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -78.76 -34.74 45.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 65.35 110.886 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.1 pttt -76.39 -36.03 58.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 74.32 110.904 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 38.6 mm -84.18 82.83 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 73.51 111.145 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 44.0 p -124.49 21.97 8.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 64.35 111.127 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.541 HG22 ' HA ' ' A' ' 31' ' ' SER . 40.1 p -152.15 151.8 31.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 75.03 111.085 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 42.3 t -51.26 -58.25 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 75.04 111.119 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.26 -44.94 61.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 75.11 110.884 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.11 -47.59 85.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 63.12 111.149 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.76 -59.33 4.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 74.2 111.119 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 2.7 tp -53.12 -32.37 18.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 74.32 111.078 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -70.48 -41.47 72.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 64.5 110.869 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.402 ' CE1' HD11 ' A' ' 58' ' ' ILE . 4.6 t80 -61.38 -57.73 11.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 71.22 110.927 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 58.2 t -59.59 -37.87 72.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 71.43 111.1 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -75.05 -18.53 60.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 63.45 110.867 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 46.9 t -92.81 -22.68 19.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 73.12 110.866 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 5.5 m80 -97.23 -39.05 9.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 75.31 110.86 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 64.2 110.91 -179.934 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 N--CA 1.458 -0.056 0 CA-C-O 120.873 0.368 . . . . 62.24 110.885 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -71.53 -55.84 7.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 75.14 110.921 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.453 ' O ' HG23 ' A' ' 11' ' ' VAL . 24.4 mt -52.39 -44.9 44.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 64.1 111.117 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -50.85 -63.91 0.98 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 70.14 110.888 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -56.64 -37.03 70.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 73.22 110.938 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.759 ' O ' HD12 ' A' ' 14' ' ' ILE . 9.6 tpp180 -60.02 -67.14 0.42 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 71.42 110.827 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.971 HG21 HD12 ' A' ' 73' ' ' ILE . 39.8 t -48.85 -55.31 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 74.04 111.129 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.596 ' O ' HG23 ' A' ' 16' ' ' VAL . 37.7 mmtm -50.59 -39.49 49.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 61.31 110.923 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.3 ttpt -61.03 -50.45 73.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 73.21 110.9 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.759 HD12 ' O ' ' A' ' 10' ' ' ARG . 2.8 mp -61.05 -46.23 97.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 70.44 111.154 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.532 ' CD1' HG12 ' A' ' 11' ' ' VAL . 50.1 mt -60.21 -32.84 51.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 74.14 111.164 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.678 HG13 ' O ' ' A' ' 21' ' ' VAL . 92.6 t -84.09 -24.42 7.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 75.33 111.112 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -87.5 -17.39 32.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 70.43 110.873 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -98.29 -47.49 5.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 64.21 110.919 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.738 HD21 ' CG ' ' A' ' 42' ' ' ASP . 58.1 mt -87.97 -43.24 11.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 73.15 110.952 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.3 -17.67 43.38 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.743 -0.742 . . . . 74.44 112.469 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.678 ' O ' HG13 ' A' ' 16' ' ' VAL . 18.4 m -60.62 -173.33 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.817 0.341 . . . . 73.23 111.139 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -98.62 144.08 28.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 64.42 110.847 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -70.27 -10.84 60.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 70.25 110.894 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.16 -37.41 18.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 55.32 111.116 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -76.65 -36.08 57.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 71.21 110.964 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 9.7 p -62.98 136.51 25.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.093 -0.503 . . . . 71.21 111.145 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 68.6 mmtt -103.98 -174.82 2.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 72.02 110.908 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.414 ' HA ' HG11 ' A' ' 69' ' ' VAL . 7.8 m120 -109.68 -43.55 4.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 75.43 110.883 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -66.79 -34.1 77.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 74.33 110.91 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.679 ' HB1' ' HB2' ' A' ' 35' ' ' ASP . . . -65.3 162.0 18.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 51.22 111.092 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.626 ' HB3' HG22 ' A' ' 68' ' ' THR . 1.1 m -104.82 -179.34 3.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 73.23 110.872 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.574 ' HB2' HG22 ' A' ' 43' ' ' THR . 11.9 m-85 -76.91 -25.68 53.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 61.44 110.902 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.564 HG12 ' O ' ' A' ' 38' ' ' ALA . 15.7 m -127.71 -39.35 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 73.53 111.159 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -51.8 -34.38 39.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 64.35 110.868 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.679 ' HB2' ' HB1' ' A' ' 30' ' ' ALA . 1.5 m-20 -117.79 -60.58 1.79 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 64.54 110.829 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.591 HD23 ' CD1' ' A' ' 19' ' ' LEU . 7.3 mp -54.91 -26.57 36.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 64.44 110.891 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 70.07 22.52 77.27 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.75 -0.738 . . . . 71.12 112.499 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.564 ' O ' HG12 ' A' ' 33' ' ' VAL . . . -70.55 -170.02 0.37 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.789 0.328 . . . . 33.4 111.116 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -113.47 170.18 8.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 72.34 110.834 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.563 ' O ' HG23 ' A' ' 44' ' ' VAL . 1.0 OUTLIER -52.98 -33.71 52.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 70.24 110.866 -179.763 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.3 tp -59.28 -40.13 85.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 63.42 110.936 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.738 ' CG ' HD21 ' A' ' 19' ' ' LEU . 4.5 t0 -60.65 -56.8 16.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 74.04 110.869 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.603 ' O ' HG23 ' A' ' 47' ' ' VAL . 62.6 p -51.17 -53.31 35.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 51.44 111.155 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 40' ' ' SER . 48.1 t -55.48 -38.44 49.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.229 -0.441 . . . . 71.13 111.114 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -60.85 -46.26 91.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 71.25 110.898 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 32.1 mt -65.71 -47.74 74.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 72.24 110.916 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.732 HG13 HG21 ' A' ' 58' ' ' ILE . 61.2 t -51.07 -48.39 30.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 63.32 111.102 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.03 -50.81 69.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 61.15 110.892 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.95 -25.9 32.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 51.32 111.1 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.735 HD22 HG11 ' A' ' 76' ' ' VAL . 65.2 mt -78.07 -52.59 8.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 73.33 110.904 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.28 -12.97 61.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 73.23 110.845 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -99.05 -48.62 4.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 62.02 110.893 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -77.56 -54.7 6.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 73.44 110.865 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -80.82 -4.95 56.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 74.44 110.939 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 50.86 41.56 26.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 33.21 110.877 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.7 t -101.74 129.13 47.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 75.21 111.167 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -62.66 115.51 4.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 73.11 110.861 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.732 HG21 HG13 ' A' ' 47' ' ' VAL . 38.7 mm -134.49 78.19 57.39 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.612 0.72 . . . . 71.42 111.151 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -176.3 1.46 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.684 2.256 . . . . 51.3 112.334 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -52.72 -49.1 66.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 75.34 110.884 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -53.48 -68.39 0.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 72.21 110.863 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -54.83 -26.17 33.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 64.31 110.844 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.23 -29.04 63.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 72.23 111.102 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -77.68 -34.05 53.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 64.21 110.894 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.9 ptmt -82.83 -32.78 27.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 74.02 110.883 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 38.7 mm -89.85 85.82 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 42.53 111.173 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 39.8 p -129.71 23.21 5.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 55.53 111.169 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.626 HG22 ' HB3' ' A' ' 31' ' ' SER . 19.3 p -141.6 171.69 13.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.186 -0.461 . . . . 72.31 111.126 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.477 HG22 ' HE1' ' A' ' 32' ' ' PHE . 92.3 t -70.26 -62.44 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.259 -0.428 . . . . 73.2 111.155 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -50.08 -39.01 41.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 73.43 110.899 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.95 -47.97 72.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 73.23 111.122 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.52 -55.03 27.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 73.14 111.053 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.971 HD12 HG21 ' A' ' 11' ' ' VAL . 1.2 tp -55.6 -35.85 40.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 63.12 111.136 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -69.05 -37.68 78.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 50.22 110.865 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -64.96 -62.93 1.26 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 64.25 110.946 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.735 HG11 HD22 ' A' ' 50' ' ' LEU . 17.0 m -54.34 -41.71 54.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 70.34 111.08 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -68.5 -28.62 67.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 52.53 110.911 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.1 t -81.08 -32.86 33.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 55.14 110.857 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 8.3 m80 -92.77 60.1 3.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 75.11 110.832 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 70.45 110.9 -179.915 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.3 p . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.845 0.355 . . . . 65.01 110.837 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -57.74 -57.95 10.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 63.31 110.9 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.63 ' O ' HG23 ' A' ' 11' ' ' VAL . 44.1 mt -57.09 -36.77 52.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 74.11 111.125 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -55.92 -54.95 38.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 75.43 110.843 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 49.9 tt0 -62.98 -36.21 82.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 73.51 110.862 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.682 ' O ' HD12 ' A' ' 14' ' ' ILE . 6.6 mtp85 -65.08 -63.52 1.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 63.02 110.895 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.744 ' O ' HD12 ' A' ' 15' ' ' ILE . 38.3 t -49.87 -57.55 2.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 73.14 111.138 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.619 ' O ' HG23 ' A' ' 16' ' ' VAL . 20.2 mmtp -50.55 -47.92 57.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 72.41 110.9 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.8 ttpt -50.17 -55.39 15.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 75.41 110.905 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.682 HD12 ' O ' ' A' ' 10' ' ' ARG . 2.9 mp -52.73 -59.19 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 71.55 111.084 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.744 HD12 ' O ' ' A' ' 11' ' ' VAL . 2.9 mp -52.89 -36.03 22.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 62.41 111.169 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.686 HG21 ' HB3' ' A' ' 23' ' ' GLU . 72.2 t -74.1 -25.08 19.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 54.03 111.14 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.9 mm-40 -87.55 -25.03 23.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 72.24 110.915 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -87.39 -65.35 1.02 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 75.31 110.946 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -55.77 -47.48 76.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 73.03 110.875 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 107.28 -16.87 37.98 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.769 -0.729 . . . . 55.12 112.485 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.429 ' O ' HG13 ' A' ' 16' ' ' VAL . 26.0 m -66.61 173.34 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.863 0.364 . . . . 61.32 111.094 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.66 139.69 31.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 63.02 110.89 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.686 ' HB3' HG21 ' A' ' 16' ' ' VAL . 2.6 pp20? -61.24 -18.17 57.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 75.23 110.9 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.2 -25.44 31.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 72.02 111.077 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -98.06 34.32 1.96 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 52.52 110.922 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.654 HG12 ' O ' ' A' ' 23' ' ' GLU . 7.8 p -134.39 150.55 30.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 51.34 111.15 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.0 mttm -133.35 169.48 16.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 63.23 110.922 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -83.15 -24.98 32.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.268 -0.423 . . . . 72.22 110.896 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -81.27 -8.48 59.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 74.21 110.898 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.24 -169.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 73.1 111.112 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.793 ' HA ' HG22 ' A' ' 68' ' ' THR . 19.0 m -132.19 -176.45 4.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 61.4 110.826 -179.775 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.764 ' CE2' HD12 ' A' ' 46' ' ' LEU . 3.1 m-30 -100.12 -12.68 19.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 74.22 110.881 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 38' ' ' ALA . 4.0 p -157.72 -45.0 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 62.53 111.102 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.43 ' N ' HG13 ' A' ' 33' ' ' VAL . 10.7 t70 -55.68 -27.03 47.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 73.45 110.842 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -110.67 -61.74 1.63 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 61.0 110.892 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.748 HD23 ' O ' ' A' ' 31' ' ' SER . 3.2 mm? -51.23 -63.43 1.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 71.34 110.906 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 126.68 3.04 6.62 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.729 -0.748 . . . . 73.33 112.494 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.654 ' O ' HG23 ' A' ' 33' ' ' VAL . . . -60.8 -168.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.818 0.342 . . . . 62.24 111.092 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -131.05 -79.09 0.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 71.44 110.833 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.441 ' O ' HG22 ' A' ' 44' ' ' VAL . 1.4 t -140.83 -43.75 0.39 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 72.41 110.83 -179.731 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -53.43 -28.38 29.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 62.23 110.92 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.444 ' HB3' ' HB1' ' A' ' 38' ' ' ALA . 5.1 t70 -70.37 -60.18 2.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 72.51 110.874 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.704 ' O ' HG23 ' A' ' 47' ' ' VAL . 3.0 p -48.7 -51.12 30.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.14 -0.482 . . . . 61.31 111.147 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.441 HG22 ' O ' ' A' ' 40' ' ' SER . 30.7 m -62.86 -38.05 80.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 41.12 111.123 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -60.13 -53.29 59.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 65.21 110.849 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.764 HD12 ' CE2' ' A' ' 32' ' ' PHE . 16.2 mt -57.24 -48.31 79.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 72.43 110.907 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.704 HG23 ' O ' ' A' ' 43' ' ' THR . 97.8 t -50.93 -48.66 28.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 64.43 111.101 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 3.4 mtt -61.77 -46.88 87.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 75.23 110.832 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.38 -29.64 61.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 54.1 111.08 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 81.8 mt -74.87 -54.91 6.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 73.22 110.935 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -64.09 -15.13 58.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 72.42 110.909 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -96.28 -55.71 2.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 74.13 110.888 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -69.44 -54.81 12.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.473 . . . . 72.2 110.848 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.559 ' HB3' HG23 ' A' ' 56' ' ' THR . 27.0 m-85 -81.22 -0.62 41.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 73.54 110.887 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 51.19 35.57 13.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 55.3 110.849 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.559 HG23 ' HB3' ' A' ' 54' ' ' PHE . 62.3 p -91.85 172.57 8.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.468 . . . . 72.33 111.133 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -114.54 86.44 2.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 71.32 110.898 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.526 HD11 ' CE1' ' A' ' 75' ' ' TYR . 51.3 mm -111.58 78.11 1.95 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.604 0.716 . . . . 75.3 111.147 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -174.25 0.87 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.672 2.248 . . . . 71.32 112.34 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -51.36 -40.35 58.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 63.41 110.863 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -56.61 -75.12 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 72.14 110.867 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -53.8 -27.57 30.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 73.41 110.912 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.66 -44.98 95.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 41.13 111.094 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -59.41 -20.67 56.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 74.32 110.91 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.34 -45.6 10.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 74.25 110.946 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.614 HD12 ' HA ' ' A' ' 72' ' ' ALA . 50.2 mm -71.82 84.41 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 74.31 111.17 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.523 ' O ' HG23 ' A' ' 68' ' ' THR . 10.8 t -126.81 21.94 6.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 70.42 111.156 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.793 HG22 ' HA ' ' A' ' 31' ' ' SER . 0.8 OUTLIER -161.31 152.54 18.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 75.1 111.126 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.9 t -51.71 -58.65 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 74.45 111.075 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -51.63 -40.58 60.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 73.21 110.942 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.87 -46.55 81.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 60.34 111.119 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.614 ' HA ' HD12 ' A' ' 66' ' ' ILE . . . -64.9 -54.78 25.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 61.33 111.073 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.47 HD12 HG21 ' A' ' 11' ' ' VAL . 1.6 tp -56.57 -32.58 37.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 64.05 111.177 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -68.35 -49.08 62.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 63.32 110.885 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.526 ' CE1' HD11 ' A' ' 58' ' ' ILE . 4.2 t80 -58.03 -59.95 4.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 75.14 110.909 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 67.1 t -53.23 -45.74 55.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 52.33 111.134 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -64.86 -29.16 70.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 73.23 110.896 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.4 t -78.58 -33.47 47.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 75.15 110.835 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 7.9 m80 -94.2 59.45 2.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 65.22 110.85 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 11.5 mm-40 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 71.12 110.879 -179.926 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.2 t . . . . . 0 N--CA 1.458 -0.068 0 CA-C-O 120.88 0.372 . . . . 63.01 110.896 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -92.25 -38.78 11.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 73.33 110.875 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.414 HG22 HD11 ' A' ' 73' ' ' ILE . 32.9 mt -63.99 -49.06 83.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 64.54 111.134 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -52.91 -47.83 67.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 71.33 110.917 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -62.46 -46.33 88.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 74.14 110.903 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.744 ' O ' HD12 ' A' ' 14' ' ' ILE . 0.3 OUTLIER -59.02 -63.41 1.31 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 74.54 110.851 -179.906 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.867 HG21 HD12 ' A' ' 73' ' ' ILE . 96.5 t -47.03 -41.28 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 62.25 111.091 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.565 ' O ' HG23 ' A' ' 16' ' ' VAL . 0.1 OUTLIER -65.27 -45.84 82.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 53.24 110.874 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 pttt -56.71 -32.86 65.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 74.21 110.878 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.744 HD12 ' O ' ' A' ' 10' ' ' ARG . 1.7 mp -72.49 -54.75 15.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 63.42 111.11 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.743 HD12 ' O ' ' A' ' 11' ' ' VAL . 3.2 mt -59.89 -27.62 38.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 74.14 111.13 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 12' ' ' LYS . 87.7 t -83.47 -32.83 9.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 75.31 111.164 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -83.19 -18.03 40.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.149 -0.478 . . . . 61.11 110.886 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 37.1 mm-40 -94.83 -51.52 4.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 70.31 110.932 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.59 HD21 ' OD1' ' A' ' 42' ' ' ASP . 58.2 mt -79.01 -61.86 1.88 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 74.24 110.882 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 127.22 -20.42 5.91 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.802 -0.713 . . . . 63.31 112.525 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.51 ' O ' HG13 ' A' ' 16' ' ' VAL . 19.2 m -62.31 -174.55 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.845 0.355 . . . . 74.2 111.119 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -98.44 140.65 32.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 63.24 110.875 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.611 ' O ' HG12 ' A' ' 26' ' ' VAL . 12.8 pt-20 -57.08 -24.11 51.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.436 . . . . 64.04 110.905 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.19 -24.36 37.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.11 -0.496 . . . . 64.12 111.113 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -80.44 -42.54 22.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 72.42 110.899 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.611 HG12 ' O ' ' A' ' 23' ' ' GLU . 10.2 p -51.56 147.98 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 72.43 111.081 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 60.3 mttt -119.5 131.89 55.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 64.34 110.907 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -63.19 -45.89 89.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 71.14 110.914 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -88.37 58.58 4.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 64.03 110.904 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.613 ' HB1' ' HB2' ' A' ' 35' ' ' ASP . . . -144.85 -179.7 6.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 70.4 111.123 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.751 ' HA ' HG22 ' A' ' 68' ' ' THR . 0.3 OUTLIER -118.04 160.7 21.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 62.12 110.878 -179.803 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.58 ' CE2' HD12 ' A' ' 46' ' ' LEU . 9.8 m-85 -75.73 -14.84 60.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 75.53 110.854 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.689 HG13 ' O ' ' A' ' 38' ' ' ALA . 5.4 t -120.88 2.3 6.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 74.3 111.16 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -107.48 -64.07 1.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 71.4 110.869 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.613 ' HB2' ' HB1' ' A' ' 30' ' ' ALA . 6.7 t0 -71.08 -45.61 63.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 43.2 110.84 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.56 HD23 ' HA ' ' A' ' 32' ' ' PHE . 0.8 OUTLIER -91.15 -27.14 18.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 73.03 110.935 -179.919 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.49 41.97 96.01 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.744 -0.741 . . . . 71.32 112.495 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.689 ' O ' HG13 ' A' ' 33' ' ' VAL . . . -89.39 174.83 7.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.795 0.331 . . . . 51.34 111.096 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -92.04 -175.82 4.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 71.34 110.84 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.4 m -61.15 -38.02 84.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 62.21 110.851 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.492 HD13 ' O ' ' A' ' 41' ' ' LEU . 0.3 OUTLIER -52.62 -34.31 50.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 72.34 110.943 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.59 ' OD1' HD21 ' A' ' 19' ' ' LEU . 29.3 t0 -64.86 -57.48 8.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 74.4 110.882 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.494 HG22 ' HD2' ' A' ' 32' ' ' PHE . 68.8 p -51.29 -52.83 41.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 70.45 111.134 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 60.9 t -57.62 -40.15 73.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 73.23 111.127 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -57.55 -46.54 83.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.142 -0.481 . . . . 72.02 110.872 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.58 HD12 ' CE2' ' A' ' 32' ' ' PHE . 27.8 mt -62.31 -48.39 80.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.204 -0.453 . . . . 72.1 110.936 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.602 HG13 HG21 ' A' ' 58' ' ' ILE . 87.7 t -51.29 -46.88 34.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 71.04 111.124 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 19.5 mtp -61.84 -49.55 75.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 71.13 110.933 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -53.71 -33.41 55.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 52.32 111.06 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 1.068 HD22 HG11 ' A' ' 76' ' ' VAL . 79.3 mt -71.38 -51.39 24.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 73.43 110.931 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -71.38 -8.78 56.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 64.33 110.882 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -98.42 -45.94 5.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 73.44 110.867 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -86.37 -53.68 4.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 63.1 110.897 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 -82.2 -3.72 55.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 70.21 110.87 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.8 t0 51.33 30.01 5.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.475 . . . . 73.2 110.889 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.0 t -80.64 141.72 34.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 52.43 111.135 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -80.49 90.75 5.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 73.13 110.945 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.602 HG21 HG13 ' A' ' 47' ' ' VAL . 46.6 mt -118.6 82.35 19.66 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.636 0.732 . . . . 73.54 111.153 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -170.5 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.693 2.262 . . . . 62.43 112.343 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -54.97 -51.77 65.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 62.44 110.916 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -53.48 -63.68 1.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 65.32 110.912 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -57.32 -23.38 48.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 74.14 110.915 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.14 -29.22 57.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 72.4 111.093 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -77.35 -32.92 55.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 60.41 110.909 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 52.5 pttt -81.08 -32.13 34.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 65.21 110.897 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 47.1 mm -91.23 83.58 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 72.54 111.126 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.1 t -123.21 19.39 9.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 63.43 111.069 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.751 HG22 ' HA ' ' A' ' 31' ' ' SER . 16.8 p -139.69 156.74 46.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 74.34 111.102 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 60.5 t -55.8 -61.47 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 75.2 111.177 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 10.8 tp60 -50.35 -42.29 52.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 72.53 110.92 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.71 -45.47 89.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 63.44 111.061 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.625 ' HB1' HD11 ' A' ' 50' ' ' LEU . . . -65.63 -56.02 14.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 73.44 111.115 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.867 HD12 HG21 ' A' ' 11' ' ' VAL . 1.4 tp -55.8 -34.72 37.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 75.03 111.128 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -70.91 -37.77 72.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 75.42 110.881 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -64.1 -59.15 4.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 73.21 110.88 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 1.068 HG11 HD22 ' A' ' 50' ' ' LEU . 18.7 m -58.79 -40.58 80.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 74.03 111.099 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -65.8 -30.98 71.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 72.55 110.855 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 30.7 t -84.8 -26.18 27.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 72.21 110.852 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 9.6 m80 -93.29 58.5 2.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 74.32 110.865 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 72.12 110.91 -179.949 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.7 t . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.868 0.366 . . . . 53.22 110.868 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -81.28 -43.59 18.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 54.42 110.864 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.509 ' O ' HG23 ' A' ' 11' ' ' VAL . 19.9 mt -52.4 -47.47 46.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 54.11 111.126 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -51.05 -46.61 61.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 74.12 110.876 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 47.5 tt0 -64.87 -44.63 89.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 53.43 110.933 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.758 ' O ' HD12 ' A' ' 14' ' ' ILE . 1.1 mtt180 -61.52 -60.54 3.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.128 -0.487 . . . . 74.33 110.894 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.848 HG21 HD12 ' A' ' 73' ' ' ILE . 44.1 t -48.88 -48.19 16.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 74.24 111.104 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.525 ' O ' HG23 ' A' ' 16' ' ' VAL . 0.2 OUTLIER -61.1 -43.72 98.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 75.44 110.917 179.9 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.4 ttpt -54.49 -41.63 69.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 73.02 110.888 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.758 HD12 ' O ' ' A' ' 10' ' ' ARG . 2.4 mp -66.66 -54.22 27.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 74.43 111.09 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.724 HD12 ' O ' ' A' ' 11' ' ' VAL . 3.5 mt -59.48 -29.51 42.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 65.14 111.146 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.572 HG22 ' O ' ' A' ' 21' ' ' VAL . 79.2 t -84.99 -25.22 6.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 73.5 111.151 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -89.75 -13.53 36.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 74.14 110.907 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.608 ' OE1' HD23 ' A' ' 46' ' ' LEU . 1.3 mt-30 -107.1 -56.39 2.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 74.14 110.897 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.731 HD21 ' OD1' ' A' ' 42' ' ' ASP . 39.4 mt -80.0 -28.7 39.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 71.32 110.912 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.67 -21.82 41.12 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.765 -0.731 . . . . 53.13 112.481 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.572 ' O ' HG22 ' A' ' 16' ' ' VAL . 17.4 m -53.95 162.82 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.769 0.319 . . . . 62.2 111.172 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -86.82 145.59 26.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.448 . . . . 72.12 110.865 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.515 ' O ' HG12 ' A' ' 26' ' ' VAL . 11.9 pt-20 -57.16 -23.62 48.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 70.14 110.862 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.19 -42.13 14.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 62.42 111.091 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -66.94 -39.82 87.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 71.45 110.825 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.515 HG12 ' O ' ' A' ' 23' ' ' GLU . 10.0 p -51.64 140.12 6.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 74.33 111.11 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -105.77 134.59 48.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 71.2 110.899 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -77.92 -34.82 51.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 63.05 110.845 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -93.24 42.31 1.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 72.54 110.874 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.619 ' HB1' ' CG ' ' A' ' 35' ' ' ASP . . . -137.26 157.78 45.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 64.53 111.088 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.403 ' CB ' HG22 ' A' ' 68' ' ' THR . 6.0 m -91.96 -171.7 2.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 63.34 110.84 -179.753 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.752 ' HA ' HD12 ' A' ' 36' ' ' LEU . 15.5 m-85 -99.67 -27.68 13.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 75.45 110.863 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.687 HG12 ' O ' ' A' ' 38' ' ' ALA . 12.6 m -120.67 -34.17 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 55.43 111.174 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.65 -25.1 61.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 64.3 110.89 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.619 ' CG ' ' HB1' ' A' ' 30' ' ' ALA . 24.2 t70 -114.24 -74.52 0.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 75.23 110.816 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.752 HD12 ' HA ' ' A' ' 32' ' ' PHE . 23.3 mt -51.89 -29.75 21.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 53.41 110.942 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 75.95 35.51 44.46 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.719 -0.753 . . . . 71.4 112.451 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.687 ' O ' HG12 ' A' ' 33' ' ' VAL . . . -87.1 -174.2 4.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.831 0.348 . . . . 71.24 111.083 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -104.62 171.55 7.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.429 . . . . 62.4 110.875 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.406 ' O ' HG23 ' A' ' 44' ' ' VAL . 29.0 t -54.68 -33.52 60.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 60.34 110.848 -179.755 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.54 HD13 ' O ' ' A' ' 41' ' ' LEU . 0.4 OUTLIER -58.5 -39.42 80.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 71.33 110.94 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.731 ' OD1' HD21 ' A' ' 19' ' ' LEU . 4.8 t0 -61.24 -56.96 14.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.158 -0.474 . . . . 62.54 110.889 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.61 HG22 ' HB2' ' A' ' 32' ' ' PHE . 74.9 p -50.8 -52.35 41.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.15 -0.477 . . . . 62.3 111.156 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.548 HG12 ' SD ' ' A' ' 48' ' ' MET . 72.5 t -56.79 -38.37 58.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.446 . . . . 74.32 111.1 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -60.69 -45.24 94.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 74.13 110.887 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.608 HD23 ' OE1' ' A' ' 18' ' ' GLN . 32.1 mt -66.85 -49.59 65.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 71.23 110.935 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 43' ' ' THR . 75.3 t -51.05 -42.78 25.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 64.52 111.14 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.548 ' SD ' HG12 ' A' ' 44' ' ' VAL . 5.2 mtp -70.08 -41.89 73.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 61.21 110.858 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.76 -26.36 67.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 75.33 111.071 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.725 HD11 ' HB1' ' A' ' 72' ' ' ALA . 81.1 mt -82.93 -51.08 7.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.251 -0.431 . . . . 71.21 110.905 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -68.48 -12.13 60.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 70.11 110.871 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -100.26 -49.16 4.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 73.32 110.92 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -76.82 -52.1 10.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 72.34 110.857 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.532 ' HB3' HG23 ' A' ' 56' ' ' THR . 30.6 m-85 -85.72 -0.69 55.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 74.32 110.912 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.0 t0 49.89 37.7 14.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.486 . . . . 75.41 110.838 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.871 HG21 HG12 ' A' ' 76' ' ' VAL . 44.8 p -88.53 129.32 35.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 71.12 111.155 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -69.98 84.17 0.5 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.225 -0.443 . . . . 73.4 110.905 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 49.4 mm -111.08 78.51 1.72 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.573 0.701 . . . . 74.51 111.125 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -170.92 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.709 2.273 . . . . 45.05 112.35 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -55.53 -42.88 75.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 73.54 110.86 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -58.44 -61.76 2.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 64.32 110.829 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.96 -14.58 60.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 72.31 110.87 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -80.38 -32.29 37.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 64.45 111.097 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.69 -18.02 58.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 72.21 110.887 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt -98.91 -35.26 10.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 63.41 110.913 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 40.8 mm -87.41 83.48 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 61.2 111.134 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 10.6 t -126.51 23.34 6.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 74.24 111.165 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.403 HG22 ' CB ' ' A' ' 31' ' ' SER . 19.8 p -144.96 160.29 41.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.201 -0.454 . . . . 63.2 111.106 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 48.8 t -60.45 -60.64 2.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 61.3 111.111 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -50.57 -37.5 40.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 71.03 110.899 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.82 -49.91 59.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 73.03 111.111 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.725 ' HB1' HD11 ' A' ' 50' ' ' LEU . . . -62.11 -53.09 60.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 61.23 111.119 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.848 HD12 HG21 ' A' ' 11' ' ' VAL . 1.4 tp -58.46 -35.91 56.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 74.35 111.152 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -67.56 -37.28 82.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 52.34 110.87 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -67.46 -65.21 0.72 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 74.12 110.918 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.871 HG12 HG21 ' A' ' 56' ' ' THR . 21.4 m -50.94 -39.93 19.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.106 -0.497 . . . . 74.34 111.199 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 32.7 t-20 -65.31 -42.43 93.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 72.41 110.913 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 46.9 t -73.11 -22.77 60.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 70.42 110.848 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 11.0 m80 -110.24 67.73 0.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 73.23 110.848 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 6.7 mp0 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 63.45 110.895 -179.921 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.2 m . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.931 0.396 . . . . 65.22 110.889 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -50.21 -36.52 31.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.078 -0.51 . . . . 63.3 110.878 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.655 ' O ' HG23 ' A' ' 11' ' ' VAL . 69.6 mt -71.49 -47.2 59.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 71.23 111.119 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -59.43 -47.25 86.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 71.14 110.894 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -63.82 -39.15 93.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 72.43 110.853 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.592 ' O ' HD12 ' A' ' 14' ' ' ILE . 9.5 mtp180 -67.59 -57.7 5.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 65.32 110.907 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 7' ' ' ILE . 62.1 t -49.39 -60.82 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 71.44 111.177 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.648 ' O ' HG23 ' A' ' 16' ' ' VAL . 41.2 mmtm -50.22 -47.4 54.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 74.11 110.905 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.0 ttpt -49.2 -58.04 5.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 64.12 110.882 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.755 HG22 ' NE2' ' A' ' 18' ' ' GLN . 3.3 mt -52.56 -56.94 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 55.52 111.064 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.596 HG13 HD22 ' A' ' 46' ' ' LEU . 2.0 mp -53.39 -33.11 20.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 73.55 111.148 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 12' ' ' LYS . 74.7 t -75.29 -27.11 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 61.43 111.111 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -80.15 -27.15 39.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 73.3 110.908 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.755 ' NE2' HG22 ' A' ' 14' ' ' ILE . 3.3 mt-30 -83.33 -60.49 2.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 75.24 110.895 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 58.8 mt -70.34 -28.68 65.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 63.13 110.885 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.89 15.17 76.02 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.792 -0.718 . . . . 64.31 112.475 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.404 ' O ' HG13 ' A' ' 16' ' ' VAL . 32.7 m -90.93 -179.94 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.802 0.334 . . . . 73.31 111.109 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -77.87 128.48 34.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 72.53 110.886 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -52.44 -29.4 24.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 63.24 110.877 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.63 -43.76 88.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 75.51 111.091 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -58.26 -51.75 68.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 55.14 110.906 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 56.4 t -51.7 106.13 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 75.23 111.157 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 48.1 mttp -95.93 143.1 27.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 72.53 110.907 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -63.14 -29.11 70.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 64.21 110.918 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -98.29 29.32 3.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 74.45 110.885 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.35 141.59 48.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 75.44 111.111 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.703 ' CB ' HG22 ' A' ' 68' ' ' THR . 8.8 t -90.1 167.29 12.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 74.11 110.898 -179.77 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.639 ' HB2' HG22 ' A' ' 43' ' ' THR . 6.8 m-85 -84.56 -29.27 26.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 74.43 110.909 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 5.5 m -121.38 -32.36 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 74.31 111.097 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -72.51 -27.44 62.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 72.31 110.86 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -113.87 -74.59 0.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 72.43 110.888 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.529 HD12 ' HA ' ' A' ' 32' ' ' PHE . 21.2 mt -55.5 -26.88 45.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 74.45 110.925 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.24 48.19 54.06 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.703 -0.761 . . . . 51.4 112.503 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -82.36 -80.72 0.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.758 0.313 . . . . 61.13 111.078 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 178.98 179.83 0.39 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 75.22 110.857 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 41.8 m -71.3 -42.41 68.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 72.11 110.849 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.7 tp -53.64 -32.73 52.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.13 -0.486 . . . . 71.21 110.896 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -65.87 -56.2 13.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 73.34 110.857 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.639 HG22 ' HB2' ' A' ' 32' ' ' PHE . 81.2 p -51.56 -55.25 20.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 74.23 111.164 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.544 HG22 ' SD ' ' A' ' 48' ' ' MET . 7.2 p -57.46 -36.87 54.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 62.22 111.165 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -59.15 -45.19 91.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 71.21 110.849 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.596 HD22 HG13 ' A' ' 15' ' ' ILE . 25.3 mt -64.59 -50.29 67.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 71.34 110.948 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.512 HG13 ' CG2' ' A' ' 58' ' ' ILE . 93.2 t -50.59 -44.12 24.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 72.1 111.126 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.544 ' SD ' HG22 ' A' ' 44' ' ' VAL . 35.5 mtp -67.4 -41.1 85.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 54.51 110.861 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.731 ' HB1' HG21 ' A' ' 14' ' ' ILE . . . -58.92 -30.44 67.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.273 -0.422 . . . . 44.13 111.109 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.726 HD22 HG21 ' A' ' 76' ' ' VAL . 89.1 mt -78.75 -58.02 3.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 74.1 110.928 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.497 ' HB3' HD12 ' A' ' 58' ' ' ILE . 0.2 OUTLIER -59.58 -19.17 46.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 62.41 110.888 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 78.7 tt0 -92.59 -60.59 1.79 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 61.22 110.899 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -63.95 -58.48 6.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.482 . . . . 63.33 110.879 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -75.36 -6.49 50.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 75.02 110.908 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.1 t0 61.61 26.77 16.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.09 -0.505 . . . . 74.2 110.86 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -78.93 174.5 11.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 62.32 111.101 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -117.76 88.42 2.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 72.4 110.884 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.512 ' CG2' HG13 ' A' ' 47' ' ' VAL . 3.0 mp -117.44 77.38 10.29 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.605 0.717 . . . . 54.02 111.085 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -169.56 0.33 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.681 2.254 . . . . 71.23 112.341 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -52.96 -48.27 67.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 72.01 110.862 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -54.43 -68.33 0.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 70.5 110.883 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.406 ' HB3' HG23 ' A' ' 58' ' ' ILE . 0.5 OUTLIER -51.91 -37.88 54.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 75.11 110.876 -179.913 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.09 -47.13 72.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 60.14 111.1 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -55.07 -25.73 32.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 64.22 110.865 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.3 mtpt -81.14 -46.16 15.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 62.1 110.884 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 30.6 mm -75.67 96.25 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.223 -0.444 . . . . 72.34 111.147 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 54.1 p -117.3 -22.04 8.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 72.24 111.152 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.703 HG22 ' CB ' ' A' ' 31' ' ' SER . 17.7 p -124.93 -177.27 3.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 74.43 111.099 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 42.9 t -70.47 -49.25 54.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 74.5 111.123 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.8 -45.83 64.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 75.33 110.882 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.8 -43.98 97.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 74.03 111.119 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.417 ' HB1' HD11 ' A' ' 50' ' ' LEU . . . -67.12 -60.17 2.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 71.13 111.083 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 5.6 tp -51.25 -31.15 11.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 75.41 111.178 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -72.08 -52.25 17.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 75.11 110.86 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -52.36 -55.56 20.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 75.22 110.922 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.726 HG21 HD22 ' A' ' 50' ' ' LEU . 80.7 t -59.58 -50.83 78.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 63.44 111.147 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -56.55 -26.61 55.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 64.03 110.905 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 9.3 t -88.13 -30.24 19.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 73.22 110.84 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 10.9 m80 -90.08 55.62 3.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 63.01 110.859 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 39.9 mm-40 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 64.01 110.914 -179.904 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 m . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.913 0.387 . . . . 75.14 110.87 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -65.66 -54.15 31.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 73.31 110.892 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.532 HG23 ' CZ ' ' A' ' 54' ' ' PHE . 13.5 mt -51.2 -36.58 16.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 72.45 111.185 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -60.55 -55.83 28.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.101 -0.5 . . . . 73.12 110.9 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -60.31 -38.29 83.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 72.31 110.857 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.754 ' O ' HD12 ' A' ' 14' ' ' ILE . 0.0 OUTLIER -65.77 -64.47 0.85 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 71.3 110.836 -179.879 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -49.73 -31.44 6.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 74.42 111.165 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.596 ' O ' HG23 ' A' ' 16' ' ' VAL . 0.2 OUTLIER -69.19 -49.65 54.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 73.51 110.902 179.899 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt -56.09 -44.87 79.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 55.12 110.922 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.754 HD12 ' O ' ' A' ' 10' ' ' ARG . 2.6 mp -61.04 -58.93 5.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 72.25 111.157 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 29.4 mt -51.75 -31.18 12.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 74.32 111.126 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.692 HG13 ' O ' ' A' ' 21' ' ' VAL . 83.3 t -81.33 -31.29 11.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 75.13 111.109 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -81.9 -16.45 50.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 74.32 110.838 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -96.33 -39.6 9.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 74.33 110.872 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.504 HD13 HD13 ' A' ' 36' ' ' LEU . 73.7 mt -90.34 -27.83 19.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 74.34 110.879 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.4 19.12 79.92 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.736 -0.745 . . . . 45.52 112.473 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.692 ' O ' HG13 ' A' ' 16' ' ' VAL . 19.9 m -102.25 -178.88 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.823 0.344 . . . . 73.22 111.156 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -79.55 131.9 36.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 64.2 110.869 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.466 ' HB3' HG21 ' A' ' 16' ' ' VAL . 12.6 pt-20 -54.15 -28.19 38.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 75.23 110.897 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.02 -44.11 81.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 43.3 111.117 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -60.72 -29.97 69.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 75.41 110.889 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 96.1 t -59.22 101.05 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 54.11 111.139 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 44.0 mmtt -90.13 128.03 36.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 73.25 110.882 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -54.83 -42.81 72.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 72.11 110.87 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -91.42 59.2 3.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 73.53 110.887 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -153.81 141.08 19.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 73.23 111.076 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.604 ' CB ' HG22 ' A' ' 68' ' ' THR . 0.8 OUTLIER -83.99 161.77 20.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 72.22 110.837 -179.784 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.753 ' HA ' HD12 ' A' ' 36' ' ' LEU . 12.9 m-85 -69.67 -23.23 63.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.484 . . . . 74.43 110.885 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 46.8 t -127.94 -48.43 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 45.2 111.148 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -52.09 -30.3 25.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.478 . . . . 63.3 110.869 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -112.15 -71.74 0.74 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 73.12 110.848 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.753 HD12 ' HA ' ' A' ' 32' ' ' PHE . 38.5 mt -51.5 -47.73 63.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 73.24 110.921 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 98.36 20.45 20.11 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.717 -0.754 . . . . 65.22 112.489 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.566 ' HB1' ' CG ' ' A' ' 42' ' ' ASP . . . -67.98 -169.31 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.74 0.305 . . . . 53.22 111.115 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -111.82 169.93 8.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 71.53 110.825 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -53.08 -43.07 66.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 74.14 110.835 -179.774 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.2 tp -53.27 -34.47 57.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.132 -0.485 . . . . 74.31 110.906 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.566 ' CG ' ' HB1' ' A' ' 38' ' ' ALA . 2.1 m-20 -64.35 -57.51 9.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 70.53 110.904 179.818 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.525 HG22 ' HB2' ' A' ' 32' ' ' PHE . 74.4 p -51.59 -56.33 14.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 45.41 111.122 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 46.8 t -54.38 -40.17 47.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 53.05 111.12 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -57.38 -49.53 75.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 64.33 110.872 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.554 HD12 ' CE2' ' A' ' 32' ' ' PHE . 30.7 mt -58.98 -49.79 76.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.478 . . . . 74.21 110.896 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 95.0 t -50.24 -48.58 24.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 71.11 111.154 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 15.7 mtp -58.8 -48.28 81.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.467 . . . . 73.35 110.89 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.77 -29.87 65.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 65.25 111.134 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.551 HD22 HG11 ' A' ' 76' ' ' VAL . 96.4 mt -73.35 -42.64 61.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 31.31 110.936 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -80.77 -9.22 59.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 74.42 110.934 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -104.37 -24.77 13.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.487 . . . . 73.44 110.876 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -106.25 -46.03 4.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 75.14 110.895 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.532 ' CZ ' HG23 ' A' ' 7' ' ' ILE . 31.7 m-85 -96.95 0.87 49.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 72.54 110.862 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 50.55 34.28 9.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 75.03 110.851 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' THR . . . . . 1.04 HG21 HG12 ' A' ' 76' ' ' VAL . 30.2 p -86.34 119.74 26.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 71.42 111.13 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 20.5 mp0 -69.27 85.12 0.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 74.55 110.907 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 53.6 mt -109.2 85.45 3.41 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.624 0.726 . . . . 73.31 111.098 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 179.57 3.62 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.696 2.264 . . . . 43.45 112.302 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -54.58 -42.61 71.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 63.03 110.865 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -56.63 -57.89 10.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 61.04 110.896 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -74.68 -5.73 44.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 62.41 110.91 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -83.66 -35.45 24.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.483 . . . . 75.3 111.104 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -70.73 -23.57 62.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 74.43 110.924 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -90.74 -33.64 15.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 73.41 110.851 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 46.0 mm -90.41 85.12 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 74.11 111.136 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 64.0 p -131.4 22.69 4.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 54.44 111.129 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.604 HG22 ' CB ' ' A' ' 31' ' ' SER . 12.3 p -140.55 158.12 44.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 64.44 111.146 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 37.4 t -55.31 -61.83 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.23 -0.441 . . . . 72.43 111.106 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -51.49 -44.37 62.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 75.55 110.906 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.9 -42.99 99.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 73.32 111.074 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.31 -59.0 3.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 63.43 111.097 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 3.4 tp -52.19 -33.57 16.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.28 -0.418 . . . . 72.23 111.095 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -70.97 -46.17 62.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 65.42 110.85 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -55.96 -56.35 21.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.456 . . . . 75.11 110.945 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 1.04 HG12 HG21 ' A' ' 56' ' ' THR . 22.7 m -61.59 -38.85 81.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 71.23 111.144 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -68.04 -23.65 65.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 72.32 110.886 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 43.2 t -91.78 -31.1 15.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 53.32 110.847 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 18.0 m80 -93.89 52.56 1.67 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 73.34 110.851 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 55.22 110.948 -179.95 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.2 m . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.873 0.368 . . . . 63.21 110.893 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -92.08 -52.7 4.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 74.3 110.873 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.528 ' O ' HG23 ' A' ' 11' ' ' VAL . 49.7 mt -57.74 -34.65 48.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 72.1 111.158 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -60.98 -56.54 19.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 73.24 110.911 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -64.63 -34.96 79.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 73.44 110.92 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.665 ' O ' HD12 ' A' ' 14' ' ' ILE . 3.1 mtp180 -67.49 -63.84 0.98 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 73.12 110.897 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.746 ' O ' HD12 ' A' ' 15' ' ' ILE . 98.0 t -50.93 -57.68 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 71.11 111.124 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.645 ' O ' HG23 ' A' ' 16' ' ' VAL . 24.4 mmtp -51.26 -49.01 62.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.47 . . . . 71.12 110.895 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.8 ttmt -48.83 -57.63 6.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 72.44 110.93 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.665 HD12 ' O ' ' A' ' 10' ' ' ARG . 3.3 mt -50.73 -57.76 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 63.45 111.18 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.746 HD12 ' O ' ' A' ' 11' ' ' VAL . 3.0 mt -54.01 -29.65 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 74.03 111.164 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 12' ' ' LYS . 73.5 t -80.3 -27.07 11.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 55.45 111.106 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -91.6 -9.72 43.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 71.43 110.892 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -104.35 -61.64 1.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 72.34 110.896 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.6 mp -72.84 -45.95 55.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 73.44 110.931 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 117.68 -32.08 5.49 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.727 -0.749 . . . . 63.52 112.477 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.4 ' O ' HG13 ' A' ' 16' ' ' VAL . 34.2 m -51.44 161.51 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.834 0.35 . . . . 34.42 111.138 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -83.81 146.33 28.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 65.01 110.863 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.477 ' HB3' HG21 ' A' ' 16' ' ' VAL . 7.7 pt-20 -62.61 -17.67 60.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 63.34 110.874 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -88.1 -60.65 1.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 25.0 111.061 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -51.93 -39.05 58.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 62.55 110.867 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.461 HG12 ' O ' ' A' ' 23' ' ' GLU . 8.6 p -51.93 150.44 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 75.03 111.134 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? -116.92 136.18 53.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 71.42 110.875 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -70.23 -38.14 75.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 62.31 110.897 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -90.56 46.89 1.37 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 62.24 110.869 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -139.66 157.33 45.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 64.31 111.09 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.468 ' OG ' HG22 ' A' ' 68' ' ' THR . 10.6 t -92.88 -175.52 3.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 73.2 110.892 -179.806 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.799 ' HA ' HD12 ' A' ' 36' ' ' LEU . 16.0 m-85 -96.54 -35.76 10.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 70.33 110.918 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.711 HG23 ' O ' ' A' ' 38' ' ' ALA . 8.0 p -121.04 -34.58 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 44.04 111.092 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -66.6 -23.38 66.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 70.43 110.874 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -117.6 -74.61 0.6 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 74.02 110.841 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.799 HD12 ' HA ' ' A' ' 32' ' ' PHE . 10.3 mt -51.58 -37.31 49.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 42.53 110.932 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 89.33 27.0 24.11 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.765 -0.731 . . . . 71.3 112.507 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.711 ' O ' HG23 ' A' ' 33' ' ' VAL . . . -69.01 -169.13 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.79 0.329 . . . . 60.44 111.111 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -106.08 -176.75 3.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.269 -0.423 . . . . 74.22 110.832 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.9 m -67.31 -48.55 67.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 74.23 110.886 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.18 -33.2 51.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.082 -0.508 . . . . 43.44 110.891 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.15 -63.25 1.37 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 74.24 110.87 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.753 HG22 ' HB2' ' A' ' 32' ' ' PHE . 50.6 p -51.55 -50.76 59.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 51.54 111.133 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 63.5 t -59.76 -35.92 62.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 73.11 111.129 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -63.04 -41.73 99.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 63.21 110.908 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.482 HD12 ' CE2' ' A' ' 32' ' ' PHE . 36.2 mt -66.35 -46.32 77.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 75.24 110.922 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.588 HG13 HG21 ' A' ' 58' ' ' ILE . 84.8 t -55.59 -56.54 11.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 72.03 111.117 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 26.6 ptm -58.83 -36.7 74.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 73.43 110.891 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.8 -40.5 88.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 60.14 111.105 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 41.0 mt -68.85 -59.62 2.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 60.34 110.894 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -56.24 -21.42 23.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 73.13 110.872 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -87.24 -62.75 1.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 75.35 110.901 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.26 -62.03 1.97 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 74.21 110.87 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -66.32 -13.83 61.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 73.1 110.887 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.5 t70 61.2 38.21 16.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 72.35 110.853 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.6 p -93.68 164.89 12.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.455 . . . . 72.11 111.143 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -96.75 83.85 3.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 54.11 110.932 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.588 HG21 HG13 ' A' ' 47' ' ' VAL . 51.7 mm -111.52 79.25 2.25 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.631 0.729 . . . . 73.21 111.154 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -170.48 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.705 2.27 . . . . 54.13 112.339 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -53.63 -50.51 65.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 74.32 110.853 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -52.12 -67.33 0.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 75.02 110.881 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -55.48 -26.02 40.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 71.23 110.86 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.81 -27.01 60.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 73.34 111.094 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -79.63 -35.02 40.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 74.33 110.842 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 10.9 ptmm? -79.91 -31.96 40.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 65.33 110.903 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 41.4 mm -91.17 86.4 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 73.44 111.12 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 10.1 t -126.27 12.74 7.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.203 -0.453 . . . . 74.24 111.12 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.468 HG22 ' OG ' ' A' ' 31' ' ' SER . 20.0 p -139.48 156.44 46.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 62.21 111.151 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 57.8 t -54.92 -59.52 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 64.22 111.144 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -51.15 -39.78 57.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 73.23 110.911 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.79 -46.33 79.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 71.01 111.104 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.87 -53.74 41.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 72.51 111.114 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 2.1 tp -57.45 -33.7 44.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 71.1 111.104 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -68.98 -43.75 74.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 62.12 110.839 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -61.03 -60.64 3.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 73.53 110.938 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 77.4 t -52.83 -48.69 49.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 74.51 111.156 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -65.33 -24.96 67.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 72.13 110.914 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.3 t -78.29 -44.19 26.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 74.4 110.81 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 3.3 m80 -82.84 56.72 3.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 72.42 110.84 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 75.41 110.956 -179.985 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.6 t . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.89 0.376 . . . . 43.54 110.878 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -91.89 -40.27 11.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 74.12 110.924 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.66 ' O ' HG23 ' A' ' 11' ' ' VAL . 78.7 mt -61.79 -40.43 86.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 73.5 111.133 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.32 -47.11 79.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 75.24 110.886 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -66.43 -38.68 87.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 63.04 110.875 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.0 mmm-85 -66.41 -60.1 3.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 65.43 110.865 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.745 ' O ' HD12 ' A' ' 15' ' ' ILE . 32.1 t -50.72 -59.85 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 61.31 111.144 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.641 ' O ' HG23 ' A' ' 16' ' ' VAL . 36.8 mmtm -50.75 -46.75 59.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 54.11 110.917 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.6 ttpp -50.8 -48.33 59.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 75.54 110.925 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mp -60.2 -57.54 11.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 74.44 111.122 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.745 HD12 ' O ' ' A' ' 11' ' ' VAL . 2.6 mp -51.66 -33.95 15.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 73.23 111.143 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 12' ' ' LYS . 89.9 t -77.42 -38.86 27.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.174 -0.466 . . . . 72.44 111.131 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -71.91 -24.2 61.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 74.3 110.91 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 -84.63 -46.66 11.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 72.23 110.917 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -85.43 -65.39 1.02 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 71.0 110.918 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 127.17 -17.33 6.27 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.746 -0.74 . . . . 61.31 112.463 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.632 ' O ' HG13 ' A' ' 16' ' ' VAL . 23.0 m -66.17 -176.64 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.807 0.337 . . . . 73.42 111.139 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -91.65 132.64 36.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 55.15 110.861 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.616 ' HB3' HG21 ' A' ' 16' ' ' VAL . 1.6 pp20? -55.97 -26.4 48.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 65.3 110.892 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.89 -52.63 41.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 51.1 111.082 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -54.79 -26.86 37.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 62.2 110.875 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.474 HG22 HD11 ' A' ' 36' ' ' LEU . 65.7 t -82.54 116.74 27.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 65.22 111.166 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.587 ' O ' HG21 ' A' ' 69' ' ' VAL . 28.3 mtmm -97.04 175.55 6.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 73.32 110.931 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -77.95 -30.14 50.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 75.43 110.858 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -103.43 47.98 0.87 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 52.42 110.849 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.46 ' HB1' ' CG ' ' A' ' 35' ' ' ASP . . . -111.8 167.16 10.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 65.43 111.119 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.522 ' HA ' HG22 ' A' ' 68' ' ' THR . 3.5 m -105.38 161.24 14.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 63.13 110.889 -179.806 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.794 ' CE2' HD12 ' A' ' 46' ' ' LEU . 3.4 m-30 -87.45 8.36 25.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 75.51 110.87 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.657 HG13 ' O ' ' A' ' 38' ' ' ALA . 96.9 t -149.59 -41.2 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 73.51 111.129 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -70.38 -42.12 72.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 73.31 110.887 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.46 ' CG ' ' HB1' ' A' ' 30' ' ' ALA . 0.6 OUTLIER -81.71 -67.5 0.78 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.482 . . . . 72.31 110.904 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.474 HD11 HG22 ' A' ' 26' ' ' VAL . 2.5 mm? -63.27 -69.63 0.26 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 61.44 110.903 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 136.24 -5.59 3.91 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.778 -0.725 . . . . 74.1 112.477 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.657 ' O ' HG13 ' A' ' 33' ' ' VAL . . . -60.23 -169.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.751 0.31 . . . . 74.31 111.113 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -133.41 -78.43 0.48 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 54.34 110.884 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 43.2 t -133.19 -40.83 0.9 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 72.34 110.893 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.9 mt -51.17 -32.72 24.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.085 -0.507 . . . . 52.12 110.923 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -68.92 -58.33 4.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 72.25 110.916 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.688 ' O ' HG23 ' A' ' 47' ' ' VAL . 68.1 p -47.35 -52.51 16.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 64.25 111.146 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.2 p -62.83 -36.76 76.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 63.12 111.168 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.8 -56.1 23.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.134 -0.485 . . . . 61.13 110.932 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.794 HD12 ' CE2' ' A' ' 32' ' ' PHE . 9.6 mt -55.37 -46.74 76.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 61.15 110.895 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.688 HG23 ' O ' ' A' ' 43' ' ' THR . 81.9 t -51.49 -57.6 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 70.42 111.111 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.19 -45.53 65.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 63.22 110.939 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.75 -35.26 70.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 71.43 111.062 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.595 HD22 HG21 ' A' ' 76' ' ' VAL . 86.8 mt -72.5 -59.54 2.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 64.15 110.915 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.695 ' HB3' HD12 ' A' ' 58' ' ' ILE . 10.5 pt-20 -56.98 -20.53 24.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 62.54 110.897 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -87.3 -61.23 1.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 74.42 110.879 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -65.95 -61.73 1.89 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 63.33 110.896 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -66.77 -13.3 61.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 72.21 110.9 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.0 t70 63.84 34.24 12.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.122 -0.49 . . . . 73.24 110.829 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.5 HG22 ' HB3' ' A' ' 79' ' ' HIS . 2.3 p -90.73 176.36 6.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 73.43 111.114 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 67.8 mt-10 -118.07 86.5 2.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.453 . . . . 64.41 110.848 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.695 HD12 ' HB3' ' A' ' 51' ' ' GLU . 2.0 mp -109.65 84.25 3.12 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.671 0.748 . . . . 70.54 111.133 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.408 ' O ' ' HB2' ' A' ' 63' ' ' ALA . 53.0 Cg_endo -69.76 -170.16 0.37 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.741 2.294 . . . . 72.55 112.298 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -66.85 -47.94 70.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.448 . . . . 73.42 110.844 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -54.3 -46.64 72.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 71.3 110.892 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -78.08 -22.84 48.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 64.22 110.879 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.408 ' HB2' ' O ' ' A' ' 59' ' ' PRO . . . -65.97 -41.09 91.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 71.4 111.107 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.94 -22.4 48.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 60.13 110.88 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.8 mtpt -81.58 -31.71 32.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 71.23 110.917 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 45.6 mm -84.85 94.46 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 71.05 111.153 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 44.4 p -139.75 13.58 2.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 61.24 111.128 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.522 HG22 ' HA ' ' A' ' 31' ' ' SER . 40.2 p -151.79 155.08 37.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 54.54 111.161 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.587 HG21 ' O ' ' A' ' 27' ' ' LYS . 35.6 t -51.56 -59.89 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 55.23 111.167 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -51.59 -45.07 63.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 73.04 110.922 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.35 -44.47 97.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 63.33 111.11 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.57 -59.45 3.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 70.34 111.108 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.488 HD12 HG21 ' A' ' 11' ' ' VAL . 6.0 tp -51.71 -30.95 12.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 51.04 111.112 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -70.73 -53.25 16.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 73.32 110.884 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -52.66 -55.55 21.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 74.43 110.912 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.595 HG21 HD22 ' A' ' 50' ' ' LEU . 44.3 t -58.13 -48.95 83.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 71.15 111.156 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -58.55 -32.02 68.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 63.31 110.837 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 28.1 t -81.85 -28.24 33.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 73.02 110.866 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.5 ' HB3' HG22 ' A' ' 56' ' ' THR . 22.6 m80 -97.22 57.0 1.41 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 73.42 110.889 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 41.1 mm-40 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 74.32 110.943 -179.939 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.2 p . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.892 0.377 . . . . 73.3 110.83 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -52.92 -60.26 3.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 60.14 110.903 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.648 ' O ' HG22 ' A' ' 11' ' ' VAL . 9.2 mt -55.36 -40.42 57.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 75.14 111.143 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 75.7 tt0 -51.88 -55.84 17.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 64.11 110.886 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -65.75 -25.96 67.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 75.32 110.933 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.72 ' O ' HD12 ' A' ' 14' ' ' ILE . 6.4 mtp180 -72.04 -66.58 0.62 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 62.15 110.909 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.712 HG23 ' HD3' ' A' ' 12' ' ' LYS . 14.2 m -50.38 -42.69 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 74.01 111.108 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.712 ' HD3' HG23 ' A' ' 11' ' ' VAL . 1.1 mptp? -62.18 -51.19 68.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 74.13 110.891 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.5 ttmt -50.08 -46.27 53.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 74.34 110.852 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.72 HD12 ' O ' ' A' ' 10' ' ' ARG . 3.0 mt -61.54 -63.16 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 75.43 111.109 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.637 HD12 ' O ' ' A' ' 11' ' ' VAL . 5.7 mt -50.03 -31.6 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 70.32 111.146 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.713 HG13 ' O ' ' A' ' 21' ' ' VAL . 74.0 t -77.81 -36.04 21.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 64.15 111.143 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -75.52 -29.18 59.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 75.5 110.859 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 36.8 mm-40 -79.56 -53.68 6.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 75.43 110.94 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -73.08 -62.59 1.41 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 73.5 110.905 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 116.84 16.14 6.47 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.739 -0.743 . . . . 71.15 112.509 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.713 ' O ' HG13 ' A' ' 16' ' ' VAL . 24.5 m -97.2 175.04 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.838 0.351 . . . . 64.44 111.148 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -77.91 127.82 32.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.467 . . . . 75.33 110.886 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.545 ' HB3' HG21 ' A' ' 16' ' ' VAL . 12.4 pt-20 -51.9 -31.82 29.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 60.41 110.929 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.3 -39.82 91.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 51.54 111.126 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -61.66 -50.03 74.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 75.5 110.936 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.8 t -59.82 113.76 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 75.0 111.134 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.8 mtmm -112.06 168.33 9.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 74.13 110.891 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -68.48 -20.61 64.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 72.53 110.866 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -99.98 21.21 13.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 44.03 110.887 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.459 ' HB3' HG21 ' A' ' 69' ' ' VAL . . . -100.11 157.11 16.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 61.45 111.129 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.634 ' HA ' HG22 ' A' ' 68' ' ' THR . 22.7 t -102.71 173.98 6.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 73.21 110.846 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.443 ' CE2' HD12 ' A' ' 46' ' ' LEU . 3.5 m-30 -89.91 -27.45 19.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 74.14 110.908 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.614 HG13 ' O ' ' A' ' 38' ' ' ALA . 95.0 t -126.15 -45.11 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.13 -0.486 . . . . 64.21 111.137 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.97 -33.31 62.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 52.42 110.884 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -108.04 -66.43 1.04 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 72.04 110.903 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.501 HD13 ' O ' ' A' ' 31' ' ' SER . 7.5 mp -52.08 -54.21 33.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 75.1 110.908 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 112.15 15.13 10.1 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.736 -0.745 . . . . 31.23 112.483 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.614 ' O ' HG13 ' A' ' 33' ' ' VAL . . . -57.25 172.8 0.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.773 0.321 . . . . 52.15 111.111 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -136.28 -76.52 0.43 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 74.55 110.877 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.597 ' O ' HG22 ' A' ' 44' ' ' VAL . 1.3 m -138.63 -48.46 0.52 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 65.41 110.857 -179.78 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.1 mt -68.83 -32.84 72.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 74.01 110.909 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.427 ' HB2' ' HB1' ' A' ' 38' ' ' ALA . 5.7 m-20 -68.41 -52.71 29.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 63.44 110.8 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -57.48 -55.51 33.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 71.12 111.129 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.597 HG22 ' O ' ' A' ' 40' ' ' SER . 35.0 m -57.99 -35.56 52.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 63.33 111.126 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -61.22 -46.12 91.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 73.22 110.865 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.443 HD12 ' CE2' ' A' ' 32' ' ' PHE . 49.5 mt -62.57 -48.62 78.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 73.24 110.877 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.559 HG13 ' CG2' ' A' ' 58' ' ' ILE . 98.4 t -51.83 -49.01 38.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 64.02 111.126 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 31.7 mtp -60.59 -47.07 87.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 65.42 110.888 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.85 -33.74 62.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 65.43 111.155 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 80.1 mt -70.92 -54.64 10.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 73.35 110.893 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -65.55 -13.22 58.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 75.44 110.848 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -94.1 -51.97 4.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 75.44 110.929 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -76.66 -56.76 4.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 75.1 110.894 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -75.81 -6.09 49.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 54.14 110.866 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 53.81 27.6 7.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 61.33 110.87 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.1 t -87.08 169.86 12.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 51.42 111.167 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 48.3 mm-40 -105.19 112.44 25.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 75.12 110.887 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.559 ' CG2' HG13 ' A' ' 47' ' ' VAL . 61.2 mt -135.74 84.07 33.81 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.605 0.717 . . . . 71.41 111.092 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -173.53 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.688 2.259 . . . . 63.3 112.342 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -53.15 -50.7 64.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 61.11 110.844 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -52.38 -63.63 1.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 72.24 110.901 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -60.93 -18.33 56.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 73.53 110.931 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -81.77 -24.14 36.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 72.0 111.125 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -84.04 -26.32 29.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 62.1 110.933 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.5 pttp -83.95 -34.95 24.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.09 -0.505 . . . . 71.41 110.919 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.428 HD11 ' HB2' ' A' ' 75' ' ' TYR . 31.3 mm -77.09 88.87 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 63.11 111.143 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.488 ' O ' HG23 ' A' ' 68' ' ' THR . 63.4 p -136.6 30.0 2.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 74.23 111.135 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.634 HG22 ' HA ' ' A' ' 31' ' ' SER . 1.1 p -158.58 147.4 18.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 73.3 111.147 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.459 HG21 ' HB3' ' A' ' 30' ' ' ALA . 39.5 t -50.0 -60.32 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 61.4 111.096 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.7 tp60 -51.17 -42.06 60.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 64.23 110.931 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.2 -44.3 92.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.482 . . . . 62.02 111.097 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.5 -56.09 12.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 53.34 111.061 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 6.5 tp -54.53 -32.69 25.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 74.45 111.183 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -71.38 -49.21 44.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.486 . . . . 73.03 110.878 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.428 ' HB2' HD11 ' A' ' 66' ' ' ILE . 5.6 t80 -54.52 -57.93 9.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 72.32 110.881 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 67.7 t -57.84 -52.04 62.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 64.0 111.104 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -52.79 -30.84 35.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 73.1 110.865 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 38.6 m -84.5 -32.2 24.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 64.15 110.875 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 20.7 m80 -95.04 57.63 2.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 65.35 110.905 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 62.21 110.9 -179.903 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.9 t . . . . . 0 C--O 1.23 0.034 0 CA-C-O 120.922 0.391 . . . . 51.54 110.927 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -73.24 -50.96 19.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.089 -0.505 . . . . 53.53 110.873 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.657 ' O ' HG23 ' A' ' 11' ' ' VAL . 65.8 mt -54.09 -51.7 44.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 71.11 111.15 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -50.07 -44.47 51.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.482 . . . . 72.24 110.863 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -66.2 -53.61 35.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 53.34 110.857 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.725 ' O ' HD12 ' A' ' 14' ' ' ILE . 3.0 mmm-85 -54.64 -58.08 8.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 74.35 110.865 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 7' ' ' ILE . 40.4 t -49.53 -58.86 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 72.21 111.106 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.695 ' O ' HG23 ' A' ' 16' ' ' VAL . 0.1 OUTLIER -54.12 -42.75 69.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 71.01 110.884 179.894 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.8 ttpt -51.45 -52.02 49.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 63.12 110.905 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.725 HD12 ' O ' ' A' ' 10' ' ' ARG . 2.7 mp -59.08 -54.23 37.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 64.52 111.138 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.451 HD11 HG12 ' A' ' 11' ' ' VAL . 5.8 mt -52.19 -28.85 11.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 53.24 111.094 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 12' ' ' LYS . 88.6 t -78.35 -43.63 26.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 74.41 111.128 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -71.27 -24.38 62.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.452 . . . . 73.15 110.894 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -82.17 -53.6 5.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 71.41 110.878 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.65 HD11 ' CG ' ' A' ' 42' ' ' ASP . 8.3 mp -83.99 -63.69 1.3 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 73.21 110.904 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 128.23 -15.7 6.1 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.729 -0.748 . . . . 74.41 112.481 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.441 ' O ' HG13 ' A' ' 16' ' ' VAL . 29.1 m -68.14 -175.17 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.868 0.366 . . . . 71.04 111.081 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.653 ' O ' HG23 ' A' ' 26' ' ' VAL . 2.2 t70 -93.88 137.44 33.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 54.05 110.897 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -60.16 -32.81 71.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 70.3 110.922 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.1 -62.89 1.49 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 54.1 111.107 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -52.73 -29.21 25.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 73.41 110.914 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 22' ' ' ASP . 60.8 t -72.82 85.24 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 74.12 111.157 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 46.3 mtmt -60.48 170.0 1.54 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 64.44 110.904 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -86.51 -27.24 24.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 53.3 110.871 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -94.33 37.84 1.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 63.21 110.865 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -119.4 -178.27 3.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 55.1 111.13 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.632 ' O ' HD23 ' A' ' 36' ' ' LEU . 43.5 t -132.07 163.55 28.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 64.1 110.838 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.574 ' HB2' HG22 ' A' ' 43' ' ' THR . 10.4 m-85 -71.22 -36.7 71.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 73.31 110.891 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.541 HG13 ' O ' ' A' ' 38' ' ' ALA . 84.7 t -126.99 -40.24 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 65.43 111.15 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -52.86 -28.86 24.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 73.15 110.856 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -122.14 -62.31 1.4 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 71.24 110.919 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.632 HD23 ' O ' ' A' ' 31' ' ' SER . 3.1 mm? -51.62 -30.41 21.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 74.01 110.905 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 80.44 17.42 73.66 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.761 -0.733 . . . . 70.21 112.474 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.541 ' O ' HG13 ' A' ' 33' ' ' VAL . . . -70.91 -169.98 0.4 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.816 0.341 . . . . 62.05 111.078 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -108.01 162.68 13.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 70.53 110.873 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.93 -36.86 50.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 74.42 110.839 -179.745 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.497 HD13 ' O ' ' A' ' 41' ' ' LEU . 0.3 OUTLIER -51.78 -30.48 23.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 70.22 110.891 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.65 ' CG ' HD11 ' A' ' 19' ' ' LEU . 18.2 t0 -70.15 -58.17 4.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 74.23 110.888 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.713 ' O ' HG23 ' A' ' 47' ' ' VAL . 63.0 p -51.1 -36.23 39.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 73.44 111.13 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 73.3 t -68.96 -56.01 13.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 74.32 111.151 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -57.04 -31.21 64.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 70.22 110.9 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 82.5 mt -70.65 -47.21 61.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 75.11 110.903 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 43' ' ' THR . 87.0 t -57.52 -50.2 77.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 72.11 111.133 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 23.8 ptm -63.59 -36.34 83.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 63.11 110.897 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.72 -41.07 94.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 44.31 111.094 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 31.5 mt -68.49 -59.57 3.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 44.1 110.919 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -54.82 -23.82 20.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 72.23 110.867 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -85.14 -60.77 1.94 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 75.4 110.842 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -63.79 -62.66 1.51 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 64.04 110.859 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.405 ' CE1' HG11 ' A' ' 76' ' ' VAL . 12.7 m-85 -64.58 -15.56 61.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 72.11 110.877 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 61.89 45.91 7.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.499 . . . . 72.5 110.878 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 20.3 p -105.14 166.67 10.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 73.15 111.139 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 80.8 mt-10 -97.29 84.16 3.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.437 . . . . 72.03 110.904 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.636 HG21 HG13 ' A' ' 47' ' ' VAL . 51.0 mm -109.85 82.67 2.47 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.601 0.715 . . . . 71.12 111.166 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 176.59 6.6 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.672 2.248 . . . . 64.12 112.341 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -55.72 -42.71 75.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 73.04 110.9 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -56.29 -57.05 13.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 72.11 110.87 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -75.52 -5.21 44.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 72.44 110.885 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -84.73 -34.35 22.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 62.01 111.127 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 -70.84 -28.88 64.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 74.42 110.895 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.3 ptpt -82.68 -34.54 27.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 72.21 110.878 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 46.7 mm -91.81 80.75 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 73.05 111.101 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 55.3 p -126.49 19.04 7.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 51.44 111.165 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.583 HG22 ' OG ' ' A' ' 31' ' ' SER . 19.3 p -140.39 158.86 43.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 52.42 111.14 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 27.6 t -54.89 -61.02 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 70.14 111.145 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -51.77 -41.46 61.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 73.32 110.921 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.23 -46.33 87.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 70.54 111.084 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.08 -57.69 7.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 50.54 111.078 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 1.7 tp -53.39 -32.64 20.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 74.51 111.136 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -69.7 -50.8 40.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 73.21 110.871 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -53.83 -59.87 4.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 63.5 110.93 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.405 HG11 ' CE1' ' A' ' 54' ' ' PHE . 29.0 t -55.11 -48.98 75.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.093 -0.503 . . . . 72.52 111.096 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -60.23 -26.14 66.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 74.01 110.858 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.1 p -86.45 -27.97 23.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 72.3 110.85 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 13.6 m80 -98.38 62.48 1.47 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 53.11 110.89 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 73.32 110.91 -179.922 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.9 m . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.904 0.383 . . . . 63.12 110.876 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -60.67 -55.9 27.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 75.01 110.882 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.426 ' O ' HG23 ' A' ' 11' ' ' VAL . 7.5 mt -53.75 -42.4 51.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 73.15 111.131 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -52.02 -54.87 24.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 71.35 110.909 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.8 tp10 -63.27 -36.11 82.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 73.14 110.871 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.601 ' O ' HD12 ' A' ' 14' ' ' ILE . 1.4 tpp180 -64.52 -65.3 0.69 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.148 -0.478 . . . . 74.01 110.844 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.827 HG21 HD12 ' A' ' 73' ' ' ILE . 43.8 t -48.9 -46.65 16.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 63.32 111.131 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.594 ' O ' HG23 ' A' ' 16' ' ' VAL . 4.5 mptt -59.63 -42.41 92.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 74.23 110.928 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 30.4 ttmt -56.04 -48.56 75.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 64.14 110.888 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.601 HD12 ' O ' ' A' ' 10' ' ' ARG . 3.1 mp -60.36 -49.78 82.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 60.31 111.102 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.992 HG23 HD12 ' A' ' 19' ' ' LEU . 13.1 mt -60.71 -36.53 71.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 75.1 111.122 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 12' ' ' LYS . 99.0 t -78.23 -22.73 13.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 63.41 111.146 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -91.83 -14.03 30.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 71.24 110.904 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.728 ' OE1' HD23 ' A' ' 46' ' ' LEU . 2.3 mt-30 -112.21 -64.71 1.26 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 74.33 110.89 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.992 HD12 HG23 ' A' ' 15' ' ' ILE . 42.2 mt -67.35 -36.32 81.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 73.33 110.895 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.43 -26.93 22.69 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.702 -0.761 . . . . 74.45 112.498 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.529 ' O ' HG22 ' A' ' 16' ' ' VAL . 28.4 m -51.2 162.2 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.819 0.342 . . . . 72.33 111.131 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -85.06 145.62 27.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 74.31 110.895 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.458 ' O ' HG12 ' A' ' 26' ' ' VAL . 8.3 pt-20 -61.24 -19.04 61.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 64.02 110.86 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.51 -53.45 4.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 74.1 111.115 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -58.12 -39.63 79.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 74.51 110.872 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.458 HG12 ' O ' ' A' ' 23' ' ' GLU . 9.5 p -51.68 141.29 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 74.31 111.178 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 45.5 mttm -118.63 127.38 53.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 64.42 110.848 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -62.48 -22.31 66.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 73.1 110.883 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -94.87 27.24 3.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 70.42 110.892 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -119.19 -178.75 3.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 64.2 111.048 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.778 ' HB3' HG22 ' A' ' 68' ' ' THR . 0.8 OUTLIER -122.24 -170.11 2.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 72.11 110.911 -179.837 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.575 ' HD2' HG22 ' A' ' 43' ' ' THR . 9.8 m-85 -100.82 -44.49 5.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 73.42 110.887 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.622 HG12 ' O ' ' A' ' 38' ' ' ALA . 9.1 m -119.23 -33.13 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 73.32 111.108 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -64.39 -24.87 67.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 72.11 110.883 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -122.84 -65.61 1.09 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 44.01 110.857 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.751 HD23 ' O ' ' A' ' 31' ' ' SER . 4.0 mm? -56.92 -24.9 55.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 43.14 110.886 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 72.33 25.01 75.42 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.718 -0.753 . . . . 13.34 112.524 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.622 ' O ' HG12 ' A' ' 33' ' ' VAL . . . -66.38 -170.96 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.78 0.324 . . . . 70.12 111.09 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -107.44 165.46 11.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.192 -0.458 . . . . 71.04 110.868 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 51.0 m -52.0 -41.25 62.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 53.42 110.838 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.7 tp -56.66 -33.6 66.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.187 -0.461 . . . . 74.1 110.9 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.453 ' CG ' ' HB1' ' A' ' 38' ' ' ALA . 1.8 m-20 -64.87 -56.94 10.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 74.42 110.85 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.575 HG22 ' HD2' ' A' ' 32' ' ' PHE . 7.8 p -52.5 -55.5 21.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 75.4 111.166 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.7 m -57.57 -34.33 46.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 63.22 111.066 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -61.21 -48.19 82.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 75.54 110.856 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.728 HD23 ' OE1' ' A' ' 18' ' ' GLN . 42.2 mt -63.07 -45.61 91.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 70.02 110.899 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 43' ' ' THR . 60.9 t -53.01 -50.79 43.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 71.14 111.138 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -47.54 85.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 53.01 110.851 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.474 ' HB1' HG12 ' A' ' 14' ' ' ILE . . . -54.99 -34.07 63.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 61.25 111.1 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.727 HD22 HG11 ' A' ' 76' ' ' VAL . 80.6 mt -70.65 -51.74 25.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 74.41 110.922 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -70.64 -10.33 59.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 64.14 110.905 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -96.73 -46.13 6.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.462 . . . . 73.14 110.889 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -85.77 -55.57 3.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 75.02 110.904 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -79.64 -2.91 44.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 71.03 110.918 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 50.99 34.17 10.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.088 -0.506 . . . . 73.15 110.847 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.804 HG21 HG12 ' A' ' 76' ' ' VAL . 3.7 p -69.6 -17.79 63.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 73.24 111.165 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 54.64 24.91 5.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 63.42 110.896 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.434 HD11 ' CD1' ' A' ' 75' ' ' TYR . 36.2 mm -44.26 104.15 0.37 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.625 0.726 . . . . 62.51 111.125 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -169.32 0.32 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.724 2.282 . . . . 74.24 112.31 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -68.48 -53.44 23.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 73.0 110.883 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -51.76 -47.9 63.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 61.14 110.863 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -70.79 -37.81 73.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 61.31 110.919 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -52.15 -45.59 65.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.102 -0.499 . . . . 63.13 111.113 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -56.73 -24.92 53.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 73.44 110.88 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.0 mtpp -79.97 -45.65 18.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 73.13 110.883 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.79 HD12 ' HA ' ' A' ' 72' ' ' ALA . 47.2 mm -72.94 77.58 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 72.13 111.147 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 26.1 p -110.03 -15.78 13.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 54.12 111.15 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.778 HG22 ' HB3' ' A' ' 31' ' ' SER . 47.7 p -122.5 -176.55 3.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.241 -0.436 . . . . 73.42 111.13 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.42 ' O ' HG22 ' A' ' 73' ' ' ILE . 62.1 t -78.68 -57.89 4.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 53.12 111.128 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -50.25 -38.78 42.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 73.43 110.908 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.31 -51.09 62.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 71.3 111.06 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.79 ' HA ' HD12 ' A' ' 66' ' ' ILE . . . -61.9 -57.91 9.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 53.3 111.12 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.827 HD12 HG21 ' A' ' 11' ' ' VAL . 1.2 tp -52.86 -35.77 22.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 44.44 111.107 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -67.87 -39.3 83.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.481 . . . . 63.4 110.87 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.434 ' CD1' HD11 ' A' ' 58' ' ' ILE . 2.0 t80 -65.18 -65.19 0.7 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 74.23 110.905 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.804 HG12 HG21 ' A' ' 56' ' ' THR . 17.4 m -51.03 -42.45 24.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 72.53 111.147 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.416 ' N ' HG23 ' A' ' 76' ' ' VAL . 27.1 t-20 -62.63 -39.72 94.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 73.35 110.92 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 17.6 t -75.3 -25.84 58.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 63.31 110.87 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 14.3 m80 -105.91 61.75 0.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 70.04 110.876 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 75.2 110.9 -179.938 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.488 -0.245 . . . . 53.32 112.488 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.436 HG23 ' HD2' ' A' ' 3' ' ' PRO . 49.9 mm -112.67 133.19 21.94 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.619 0.723 . . . . 74.25 111.098 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.436 ' HD2' HG23 ' A' ' 2' ' ' ILE . 53.3 Cg_endo -69.8 142.24 47.22 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.723 2.282 . . . . 73.21 112.294 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -56.01 -25.24 43.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 72.22 110.876 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.0 m -65.5 -25.84 67.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 52.21 110.837 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -84.09 -50.05 8.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.478 . . . . 75.2 110.896 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.645 ' O ' HG23 ' A' ' 11' ' ' VAL . 50.2 mt -58.5 -39.83 76.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 73.41 111.113 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -56.03 -54.88 39.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 72.4 110.891 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -64.85 -37.94 89.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 74.02 110.926 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.733 ' O ' HD12 ' A' ' 14' ' ' ILE . 2.9 mmm180 -62.6 -63.36 1.25 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 71.33 110.877 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 7' ' ' ILE . 39.8 t -50.33 -49.3 23.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 72.22 111.122 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.683 ' O ' HG23 ' A' ' 16' ' ' VAL . 0.4 OUTLIER -59.28 -44.32 92.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 74.41 110.882 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.7 ttmm -51.96 -53.43 41.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 71.35 110.86 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.733 HD12 ' O ' ' A' ' 10' ' ' ARG . 2.5 mp -58.18 -54.33 33.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 74.31 111.136 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 57.0 mt -51.07 -30.44 9.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 61.21 111.143 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.683 HG23 ' O ' ' A' ' 12' ' ' LYS . 97.6 t -78.7 -37.46 20.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 53.52 111.136 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -73.9 -25.49 60.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 73.5 110.918 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 -83.44 -49.15 9.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 71.42 110.909 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.766 HD11 HD23 ' A' ' 36' ' ' LEU . 63.3 mt -85.79 -62.69 1.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 74.13 110.902 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 112.11 17.73 8.16 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.754 -0.736 . . . . 53.33 112.493 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 19.7 m -106.87 -174.31 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.843 0.354 . . . . 72.14 111.127 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -80.89 124.73 29.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 72.42 110.831 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -54.89 -26.86 38.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 71.32 110.852 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.93 -54.72 34.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 72.04 111.116 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -51.93 -30.59 25.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 62.25 110.913 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 61.2 t -67.73 104.2 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 75.42 111.161 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.0 mmmt -77.53 146.63 36.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 74.34 110.929 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -70.97 -44.46 65.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 65.0 110.877 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -70.18 -25.88 63.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 70.13 110.874 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.416 ' HB1' ' CB ' ' A' ' 35' ' ' ASP . . . -71.26 165.75 23.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 64.41 111.136 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.66 ' OG ' HG22 ' A' ' 68' ' ' THR . 9.3 t -105.68 -172.48 2.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 73.0 110.843 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.719 ' HA ' HD22 ' A' ' 36' ' ' LEU . 14.9 m-85 -86.32 -21.73 27.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 63.21 110.878 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.655 HG12 ' O ' ' A' ' 38' ' ' ALA . 17.8 m -119.35 -36.22 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 72.53 111.143 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -51.81 -66.61 0.35 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 73.55 110.906 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.416 ' CB ' ' HB1' ' A' ' 30' ' ' ALA . 8.4 t70 -91.23 -52.81 4.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 73.5 110.862 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.766 HD23 HD11 ' A' ' 19' ' ' LEU . 6.6 mp -51.71 -37.62 51.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 75.32 110.915 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 78.51 20.99 70.49 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.685 -0.769 . . . . 53.1 112.456 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.655 ' O ' HG12 ' A' ' 33' ' ' VAL . . . -78.84 -175.2 4.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.835 0.35 . . . . 45.12 111.091 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -114.63 177.31 4.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 55.25 110.872 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.518 ' O ' HG23 ' A' ' 44' ' ' VAL . 1.4 m -52.46 -30.95 32.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 74.44 110.882 -179.745 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.8 tp -60.17 -42.87 95.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 55.34 110.921 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -58.29 -56.69 18.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 74.22 110.872 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.559 HG22 ' HD2' ' A' ' 32' ' ' PHE . 73.8 p -51.39 -55.71 17.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 73.03 111.101 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 40' ' ' SER . 61.5 t -54.54 -38.7 42.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 53.11 111.126 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.47 -46.1 89.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.475 . . . . 75.33 110.886 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.565 HD12 ' CE2' ' A' ' 32' ' ' PHE . 25.7 mt -65.29 -38.8 91.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 74.34 110.884 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.613 HG13 HG21 ' A' ' 58' ' ' ILE . 99.2 t -57.24 -58.82 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 71.22 111.128 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 18.0 ptm -57.59 -43.1 84.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 61.31 110.911 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.42 -35.33 69.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 73.42 111.068 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.671 HD22 HG21 ' A' ' 76' ' ' VAL . 57.7 mt -69.81 -53.8 16.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 64.5 110.909 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -66.78 -13.11 61.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 73.43 110.849 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -94.02 -48.62 6.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 74.13 110.877 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -81.57 -59.08 2.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.487 . . . . 73.12 110.865 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.622 ' HB3' HG23 ' A' ' 56' ' ' THR . 27.8 m-85 -72.9 -8.41 55.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 55.33 110.904 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.5 t70 53.62 38.4 28.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 64.44 110.863 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.622 HG23 ' HB3' ' A' ' 54' ' ' PHE . 58.8 p -91.46 163.8 14.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 43.33 111.129 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -94.7 84.94 4.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 73.1 110.885 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.613 HG21 HG13 ' A' ' 47' ' ' VAL . 50.4 mm -111.76 77.84 1.99 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.661 0.743 . . . . 73.35 111.122 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -170.65 0.41 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.719 2.279 . . . . 64.34 112.359 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -54.88 -49.71 70.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 65.34 110.917 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -55.37 -63.95 1.0 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 73.03 110.875 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -56.98 -23.32 45.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 73.11 110.901 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -77.69 -28.13 50.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 44.22 111.099 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -79.32 -29.58 42.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 74.34 110.87 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.9 pttt -84.97 -32.61 22.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 70.32 110.891 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 41.3 mm -91.14 81.18 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 73.15 111.121 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.2 t -123.58 12.79 9.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 73.14 111.153 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.66 HG22 ' OG ' ' A' ' 31' ' ' SER . 19.2 p -135.19 155.29 50.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 70.52 111.153 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.43 HG22 ' HE1' ' A' ' 32' ' ' PHE . 67.2 t -54.06 -60.61 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 71.4 111.179 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -51.31 -40.89 59.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 72.41 110.892 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.07 -46.9 82.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 74.21 111.123 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.84 -56.25 14.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 74.43 111.105 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.414 HD12 HG21 ' A' ' 11' ' ' VAL . 4.5 tp -54.93 -32.95 27.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 65.34 111.13 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -69.46 -47.44 63.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 74.23 110.899 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -57.65 -61.38 2.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 75.3 110.908 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.671 HG21 HD22 ' A' ' 50' ' ' LEU . 75.2 t -53.17 -51.82 35.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.5 . . . . 53.43 111.129 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.418 ' HA ' HD13 ' A' ' 7' ' ' ILE . 19.7 t-20 -56.71 -32.12 65.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 73.42 110.883 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 34.5 t -80.51 -26.85 37.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 63.03 110.862 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 17.4 m80 -103.51 64.28 0.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.5 . . . . 74.41 110.827 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 62.11 110.856 -179.905 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.492 -0.243 . . . . 43.32 112.492 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.425 HG23 ' HD2' ' A' ' 3' ' ' PRO . 5.2 mp -92.15 132.99 30.98 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.623 0.725 . . . . 72.42 111.126 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.425 ' HD2' HG23 ' A' ' 2' ' ' ILE . 54.0 Cg_endo -69.69 173.9 10.24 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.738 2.292 . . . . 73.44 112.324 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.7 mt -95.79 24.68 5.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 63.41 110.896 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.6 p -116.36 -19.69 10.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 75.14 110.854 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -85.42 -31.96 22.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.075 -0.512 . . . . 73.31 110.872 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.607 ' O ' HG23 ' A' ' 11' ' ' VAL . 6.6 mt -66.49 -48.14 81.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 71.4 111.121 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -51.19 -48.03 62.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 72.4 110.878 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -65.51 -49.38 69.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 75.11 110.89 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.652 ' O ' HD12 ' A' ' 14' ' ' ILE . 1.0 OUTLIER -55.82 -59.89 4.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 74.41 110.918 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.932 HG21 HD12 ' A' ' 73' ' ' ILE . 43.2 t -50.11 -59.57 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 70.23 111.09 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.666 ' HG3' HG11 ' A' ' 26' ' ' VAL . 0.9 OUTLIER -51.66 -46.4 63.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 73.42 110.855 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -49.77 -51.89 35.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 72.31 110.882 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.652 HD12 ' O ' ' A' ' 10' ' ' ARG . 3.3 mt -57.9 -58.68 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 54.22 111.112 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.732 HD12 ' O ' ' A' ' 11' ' ' VAL . 3.1 mt -52.92 -30.89 16.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 74.54 111.149 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.673 HG13 ' O ' ' A' ' 21' ' ' VAL . 78.1 t -80.03 -29.59 12.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 74.05 111.108 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -83.0 -20.14 35.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 74.25 110.863 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -91.02 -56.93 2.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 63.32 110.924 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.634 HD11 ' CG ' ' A' ' 42' ' ' ASP . 8.6 mp -76.63 -59.73 2.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 71.04 110.85 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 127.44 -18.71 6.04 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.739 -0.743 . . . . 35.24 112.47 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.673 ' O ' HG13 ' A' ' 16' ' ' VAL . 31.3 m -58.9 -177.37 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.796 0.332 . . . . 53.43 111.119 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -98.31 143.9 28.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.461 . . . . 65.22 110.847 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.651 ' O ' HG12 ' A' ' 26' ' ' VAL . 6.1 pt-20 -62.22 -17.53 58.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 72.22 110.865 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.61 -21.81 25.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 61.34 111.09 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -96.28 25.02 5.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.451 . . . . 75.53 110.93 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.666 HG11 ' HG3' ' A' ' 12' ' ' LYS . 9.2 p -122.69 143.35 35.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 71.3 111.086 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.9 mttm -118.66 173.22 6.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 73.42 110.94 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.414 ' OD1' HG21 ' A' ' 73' ' ' ILE . 0.7 OUTLIER -92.94 -42.91 9.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 71.42 110.892 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -66.96 -23.04 65.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 71.33 110.899 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.16 177.69 1.0 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 64.55 111.072 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.744 ' OG ' HG22 ' A' ' 68' ' ' THR . 42.4 t -132.44 170.47 15.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 74.24 110.811 -179.766 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.538 ' HB2' HG22 ' A' ' 43' ' ' THR . 11.1 m-30 -73.35 -35.42 66.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.09 -0.504 . . . . 70.41 110.834 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.529 HG22 ' C ' ' A' ' 38' ' ' ALA . 89.3 t -130.36 -39.3 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 63.41 111.121 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -51.59 -30.25 20.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 62.43 110.867 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -120.42 -61.58 1.56 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 63.05 110.891 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.665 HD23 ' O ' ' A' ' 31' ' ' SER . 3.2 mm? -51.77 -39.65 58.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 75.03 110.863 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 91.7 15.34 55.02 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.719 -0.753 . . . . 73.11 112.46 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.529 ' C ' HG22 ' A' ' 33' ' ' VAL . . . -67.85 -169.62 0.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.771 0.32 . . . . 72.43 111.127 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 42.7 p30 -111.5 165.17 12.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 45.24 110.877 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.642 ' O ' HG23 ' A' ' 44' ' ' VAL . 3.0 m -52.0 -31.6 30.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 53.5 110.825 -179.758 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.4 tp -58.97 -33.68 70.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.168 -0.469 . . . . 75.55 110.913 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.634 ' CG ' HD11 ' A' ' 19' ' ' LEU . 8.9 t0 -69.16 -46.51 67.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 72.43 110.824 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.65 ' O ' HG23 ' A' ' 47' ' ' VAL . 59.7 p -63.05 -32.27 73.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 44.01 111.169 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 40' ' ' SER . 86.3 t -70.95 -52.69 25.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 74.23 111.114 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -59.75 -32.8 70.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 73.4 110.875 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 60.2 mt -69.72 -56.99 5.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 73.32 110.915 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 43' ' ' THR . 97.2 t -50.9 -42.27 23.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 60.42 111.141 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 2.4 mmm -66.88 -44.21 81.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 73.15 110.816 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.25 -30.47 66.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 73.34 111.1 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.636 HD22 HG11 ' A' ' 76' ' ' VAL . 52.9 mt -76.1 -55.37 5.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 74.21 110.906 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -61.03 -18.09 55.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 24.04 110.91 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 28.1 tp10 -95.15 -56.41 2.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 72.41 110.886 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -66.52 -57.39 7.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 61.21 110.876 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -76.54 -5.3 47.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 71.22 110.896 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.1 t0 50.66 49.19 21.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 71.22 110.869 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.2 t -108.71 134.37 51.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 64.32 111.167 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -63.04 111.96 2.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 63.41 110.864 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.62 HG21 HG13 ' A' ' 47' ' ' VAL . 43.1 mm -131.64 78.05 71.71 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.653 0.74 . . . . 72.03 111.146 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -171.21 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.615 2.21 . . . . 75.42 112.372 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -54.73 -54.09 46.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 72.43 110.873 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -51.92 -64.07 0.93 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 74.05 110.91 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -55.88 -25.35 42.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 75.12 110.869 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.56 -26.11 54.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 73.1 111.09 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -82.61 -27.75 31.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.248 -0.433 . . . . 73.42 110.907 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.1 ptmt -87.43 -32.89 19.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 72.11 110.917 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 32.0 mm -87.46 90.66 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 52.22 111.127 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.8 t -134.49 16.28 3.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.167 -0.47 . . . . 61.21 111.123 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.744 HG22 ' OG ' ' A' ' 31' ' ' SER . 49.4 p -137.59 178.12 7.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 73.33 111.152 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.496 ' O ' HG22 ' A' ' 73' ' ' ILE . 61.0 t -74.81 -61.53 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 74.32 111.148 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 22.9 tp60 -50.99 -39.19 55.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 71.42 110.931 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.89 -48.08 72.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 70.32 111.094 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.506 ' HB1' HD11 ' A' ' 50' ' ' LEU . . . -65.56 -58.81 4.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 74.55 111.119 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.932 HD12 HG21 ' A' ' 11' ' ' VAL . 1.7 tp -51.32 -37.1 17.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 74.32 111.154 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -67.26 -44.02 80.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 73.22 110.902 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -59.93 -64.85 0.8 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 72.13 110.926 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.636 HG11 HD22 ' A' ' 50' ' ' LEU . 20.3 m -51.92 -40.03 27.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 73.22 111.132 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -61.71 -45.68 92.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.168 -0.469 . . . . 51.11 110.901 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 39.6 t -70.78 -28.74 64.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 62.52 110.848 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 20.4 m80 -99.08 62.52 1.28 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 64.42 110.854 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 72.4 110.923 -179.924 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.473 -0.251 . . . . 64.03 112.473 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.443 HG23 ' HD2' ' A' ' 3' ' ' PRO . 60.7 mt -114.62 133.06 22.59 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.58 0.705 . . . . 73.25 111.175 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.443 ' HD2' HG23 ' A' ' 2' ' ' ILE . 53.3 Cg_endo -69.79 176.9 6.18 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.711 2.274 . . . . 63.35 112.348 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.496 HD12 ' H ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -97.03 27.84 3.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 73.21 110.948 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.0 m -128.44 -43.83 1.41 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 61.12 110.904 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -54.87 -56.88 14.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.067 -0.515 . . . . 33.04 110.907 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.65 ' O ' HG23 ' A' ' 11' ' ' VAL . 48.4 mt -54.76 -40.46 51.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 60.42 111.128 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -53.83 -60.94 2.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.484 . . . . 65.1 110.921 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -59.27 -41.45 88.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 74.23 110.906 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -58.67 -65.57 0.64 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 73.02 110.86 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 7' ' ' ILE . 42.0 t -48.19 -41.15 10.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 62.44 111.128 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.559 ' O ' HG23 ' A' ' 16' ' ' VAL . 0.1 OUTLIER -59.35 -41.34 89.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 71.45 110.874 179.932 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.9 ttmt -65.0 -36.36 84.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 70.32 110.92 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 13.6 mm -63.56 -48.89 84.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 34.12 111.144 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.446 HG23 HD13 ' A' ' 19' ' ' LEU . 5.2 mt -67.1 -38.79 81.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 61.35 111.143 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 12' ' ' LYS . 94.1 t -73.34 -23.64 19.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 35.24 111.132 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -87.06 -26.12 23.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 74.13 110.897 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -89.6 -66.08 0.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 73.22 110.918 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.559 ' CD2' HD13 ' A' ' 36' ' ' LEU . 10.7 mp -57.42 -48.34 79.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 75.24 110.873 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 108.67 -15.54 34.64 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.715 -0.755 . . . . 55.34 112.473 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.491 ' O ' HG13 ' A' ' 16' ' ' VAL . 33.7 m -58.28 -175.99 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.804 0.335 . . . . 72.44 111.143 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -96.11 144.24 26.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 73.03 110.86 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.623 ' O ' HG12 ' A' ' 26' ' ' VAL . 12.4 pt-20 -63.26 -16.49 60.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 62.21 110.868 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.93 -18.54 43.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 64.34 111.079 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -99.42 43.02 1.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 74.33 110.885 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.623 HG12 ' O ' ' A' ' 23' ' ' GLU . 8.1 p -131.06 153.51 39.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 71.1 111.127 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.533 ' HG2' ' HB2' ' A' ' 30' ' ' ALA . 0.7 OUTLIER -154.83 159.53 40.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 73.43 110.89 179.916 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -80.14 -1.89 42.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 75.51 110.916 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -114.49 22.38 13.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 72.54 110.873 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.533 ' HB2' ' HG2' ' A' ' 27' ' ' LYS . . . -109.98 157.13 19.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 72.34 111.067 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.1 t -91.96 -169.96 2.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 75.35 110.865 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.663 ' CE2' HD13 ' A' ' 46' ' ' LEU . 3.2 m-30 -103.4 -32.88 9.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 73.44 110.88 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.691 HG23 ' O ' ' A' ' 38' ' ' ALA . 9.3 p -127.48 -36.25 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 73.13 111.113 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -64.31 -28.1 69.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 72.1 110.882 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -110.02 -68.73 0.91 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 72.45 110.919 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.559 HD13 ' CD2' ' A' ' 19' ' ' LEU . 34.8 mt -51.68 -29.95 20.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 71.34 110.909 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 78.32 18.18 76.63 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.76 -0.733 . . . . 74.33 112.486 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.691 ' O ' HG23 ' A' ' 33' ' ' VAL . . . -66.36 -169.66 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.78 0.324 . . . . 61.1 111.086 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -131.23 177.32 7.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 71.33 110.853 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.61 ' O ' HG23 ' A' ' 44' ' ' VAL . 5.1 m -51.84 -34.31 39.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 53.24 110.822 -179.725 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.4 tp -64.46 -43.11 95.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 75.25 110.915 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.612 ' CB ' ' HB1' ' A' ' 38' ' ' ALA . 4.4 m-20 -63.27 -53.82 46.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 63.12 110.863 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -51.76 -55.28 20.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 74.33 111.156 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 40' ' ' SER . 57.3 t -56.12 -44.44 78.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 73.03 111.133 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.51 -39.79 73.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 53.21 110.864 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.663 HD13 ' CE2' ' A' ' 32' ' ' PHE . 37.4 mt -66.03 -50.09 65.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 61.42 110.893 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.62 HG13 ' CG2' ' A' ' 58' ' ' ILE . 96.7 t -51.38 -56.1 6.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 61.44 111.125 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 21.7 ptp -59.8 -37.31 78.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 44.43 110.865 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.65 -33.56 72.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 72.11 111.109 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.458 ' HB2' HD12 ' A' ' 58' ' ' ILE . 95.3 mt -75.27 -57.35 3.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 72.23 110.923 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -59.47 -19.57 48.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 71.41 110.914 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -93.14 -59.71 1.97 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 61.24 110.892 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -64.18 -59.38 4.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 64.11 110.911 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -74.14 -7.53 52.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 73.02 110.876 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 59.15 35.2 23.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.12 -0.491 . . . . 71.33 110.827 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 31.6 p -92.52 176.22 6.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 71.33 111.102 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -112.98 84.59 2.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 71.03 110.9 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.62 ' CG2' HG13 ' A' ' 47' ' ' VAL . 50.8 mt -110.35 82.48 2.73 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.634 0.731 . . . . 74.12 111.137 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 -170.42 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.638 2.226 . . . . 74.35 112.339 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -65.5 -37.65 87.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 71.42 110.838 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -61.12 -51.76 67.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 74.3 110.868 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.64 -28.99 62.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 64.34 110.874 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.12 -44.51 97.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 52.12 111.103 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.73 -21.93 43.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 75.4 110.933 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.8 mtmt -84.74 -50.11 7.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 71.1 110.904 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.616 HD12 ' HA ' ' A' ' 72' ' ' ALA . 43.7 mm -63.93 92.77 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 74.22 111.123 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.521 HG23 HG23 ' A' ' 68' ' ' THR . 8.9 t -138.64 15.5 2.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 74.33 111.131 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.521 HG23 HG23 ' A' ' 67' ' ' THR . 70.9 p -150.39 153.12 35.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.242 -0.435 . . . . 75.21 111.165 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.51 HG21 ' O ' ' A' ' 27' ' ' LYS . 30.0 t -53.51 -49.28 55.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 71.2 111.139 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.09 -46.25 91.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 74.13 110.895 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.24 -38.57 89.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 55.52 111.084 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.616 ' HA ' HD12 ' A' ' 66' ' ' ILE . . . -71.89 -57.99 3.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 75.51 111.121 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.436 HD12 HG22 ' A' ' 7' ' ' ILE . 2.4 tp -53.78 -30.6 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 71.41 111.178 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -73.4 -53.45 10.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 63.05 110.812 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.564 ' HB2' HD11 ' A' ' 66' ' ' ILE . 12.0 t80 -51.81 -53.83 35.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 74.22 110.932 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 66.5 t -60.84 -52.94 55.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 63.11 111.163 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -55.21 -26.66 40.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 53.45 110.924 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.7 t -88.91 -26.99 21.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 45.43 110.876 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 21.7 m80 -96.36 56.68 1.6 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.5 . . . . 75.52 110.849 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 72.51 110.888 -179.931 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.54 -0.224 . . . . 70.43 112.54 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.42 HG23 ' HD2' ' A' ' 3' ' ' PRO . 2.9 mt 65.28 132.81 0.03 OUTLIER Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.635 0.731 . . . . 74.24 111.13 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.42 ' HD2' HG23 ' A' ' 2' ' ' ILE . 53.2 Cg_endo -69.76 141.85 46.35 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.727 2.285 . . . . 62.52 112.342 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -56.08 -25.12 44.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 74.32 110.951 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.8 p -66.47 -44.99 81.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 75.44 110.862 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -69.9 -46.93 64.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 64.44 110.881 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.72 ' O ' HG23 ' A' ' 11' ' ' VAL . 63.5 mt -52.17 -53.35 19.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 75.42 111.132 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -52.21 -59.24 4.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 73.3 110.913 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -53.57 -47.04 70.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.49 . . . . 72.13 110.866 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.736 ' O ' HD12 ' A' ' 14' ' ' ILE . 14.7 mmm180 -57.81 -52.05 67.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 73.25 110.9 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.747 ' O ' HD12 ' A' ' 15' ' ' ILE . 98.7 t -48.47 -56.82 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 73.44 111.103 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.659 ' O ' HG23 ' A' ' 16' ' ' VAL . 62.3 mmtt -52.26 -48.96 64.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 75.54 110.89 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.1 ttmt -51.59 -54.37 28.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 75.33 110.932 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.736 HD12 ' O ' ' A' ' 10' ' ' ARG . 2.9 mt -51.44 -60.45 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 71.32 111.119 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.747 HD12 ' O ' ' A' ' 11' ' ' VAL . 3.1 mt -51.83 -29.06 10.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 71.12 111.143 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 12' ' ' LYS . 78.6 t -79.35 -33.23 15.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 65.22 111.115 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -80.01 -29.24 39.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 72.14 110.884 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -80.6 -51.75 8.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 75.0 110.935 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.681 HD11 HD23 ' A' ' 36' ' ' LEU . 65.8 mt -81.53 -51.79 7.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 72.44 110.88 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.09 -16.87 27.38 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.76 -0.733 . . . . 53.32 112.523 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.469 ' O ' HG13 ' A' ' 16' ' ' VAL . 18.7 m -70.33 -175.02 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.773 0.32 . . . . 55.31 111.143 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -93.59 137.1 33.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 74.12 110.863 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -54.17 -35.84 62.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 74.22 110.9 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.47 -58.76 5.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 55.54 111.071 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -53.04 -39.6 63.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 71.25 110.847 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 62.0 t -66.69 114.1 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 73.25 111.128 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.7 mtmm -92.24 151.24 20.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 62.32 110.843 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -67.99 -31.2 70.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 53.34 110.907 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -96.32 28.21 3.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 71.02 110.911 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.506 ' HB1' ' CB ' ' A' ' 35' ' ' ASP . . . -115.01 139.6 49.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 63.2 111.084 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.604 ' HA ' HG22 ' A' ' 68' ' ' THR . 1.5 t -83.44 162.49 20.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 63.34 110.903 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.697 ' HA ' HD22 ' A' ' 36' ' ' LEU . 7.6 m-85 -75.77 -17.3 59.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 75.44 110.875 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.467 HG22 ' O ' ' A' ' 38' ' ' ALA . 25.1 t -123.7 -46.77 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 74.44 111.186 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -57.47 -67.65 0.31 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 70.1 110.889 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.506 ' CB ' ' HB1' ' A' ' 30' ' ' ALA . 2.9 m-20 -76.23 -63.16 1.39 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 74.01 110.855 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.697 HD22 ' HA ' ' A' ' 32' ' ' PHE . 6.8 mp -51.74 -74.85 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 64.24 110.929 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 119.89 32.32 1.2 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.755 -0.736 . . . . 72.25 112.44 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.51 ' HB1' ' HB2' ' A' ' 42' ' ' ASP . . . -97.91 172.25 7.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.834 0.35 . . . . 72.05 111.077 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -93.88 177.7 5.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 60.34 110.869 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.0 m -52.31 -39.25 60.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 63.11 110.839 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.45 HD13 ' O ' ' A' ' 41' ' ' LEU . 0.2 OUTLIER -51.63 -32.66 30.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 70.34 110.922 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.51 ' HB2' ' HB1' ' A' ' 38' ' ' ALA . 35.7 t0 -66.45 -56.26 11.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 70.32 110.854 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.562 HG22 ' HD2' ' A' ' 32' ' ' PHE . 82.8 p -51.71 -56.14 15.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 72.14 111.139 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.7 p -56.2 -38.83 56.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 72.44 111.12 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -57.72 -48.96 78.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 75.44 110.888 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.608 HD12 ' CE2' ' A' ' 32' ' ' PHE . 24.1 mt -60.43 -48.17 82.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 73.0 110.889 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.753 ' HA ' HD12 ' A' ' 50' ' ' LEU . 99.8 t -50.49 -49.73 23.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 62.44 111.103 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 44.4 mtp -59.29 -48.87 80.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 62.33 110.914 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.82 -32.0 59.88 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.236 -0.438 . . . . 75.33 111.072 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.753 HD12 ' HA ' ' A' ' 47' ' ' VAL . 11.8 mt -72.46 -46.3 55.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 54.33 110.963 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -78.46 -5.47 52.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 73.02 110.848 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -107.02 -24.68 11.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 73.03 110.921 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -108.29 -50.02 3.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 64.21 110.876 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.42 ' CD2' HG11 ' A' ' 76' ' ' VAL . 21.5 m-85 -86.49 -1.29 57.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 74.12 110.861 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.5 t70 51.75 30.18 6.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.129 -0.487 . . . . 73.53 110.897 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.743 HG21 HG12 ' A' ' 76' ' ' VAL . 4.5 t -94.63 122.07 36.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 72.14 111.1 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -64.29 118.55 8.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 62.45 110.867 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.557 HG21 HG13 ' A' ' 47' ' ' VAL . 48.1 mt -137.92 82.36 25.81 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.612 0.72 . . . . 61.22 111.14 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -169.31 0.32 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.649 2.233 . . . . 73.54 112.352 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -67.23 -35.37 79.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 73.21 110.832 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -65.52 -44.27 87.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 73.04 110.912 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -80.84 -22.61 39.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.485 . . . . 74.41 110.908 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.94 -46.54 65.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 74.3 111.056 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -52.12 -29.59 22.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.286 -0.415 . . . . 73.11 110.878 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.7 mttp -73.65 -48.6 31.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 65.22 110.86 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.482 HD12 ' HA ' ' A' ' 72' ' ' ALA . 50.3 mm -62.66 112.82 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.277 -0.419 . . . . 74.43 111.131 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 31.9 p -129.95 -38.47 1.45 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 74.42 111.175 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.604 HG22 ' HA ' ' A' ' 31' ' ' SER . 17.9 p -116.94 170.99 8.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 71.34 111.161 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 23.8 t -57.43 -49.82 79.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 55.21 111.152 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.7 tp60 -51.18 -42.79 61.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 54.0 110.876 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.83 -44.0 97.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 63.43 111.08 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.482 ' HA ' HD12 ' A' ' 66' ' ' ILE . . . -68.0 -58.35 4.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 72.23 111.104 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 3.3 tp -52.13 -33.44 16.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 74.1 111.122 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -70.91 -46.74 61.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 70.23 110.846 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -55.54 -55.58 30.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 75.11 110.929 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.743 HG12 HG21 ' A' ' 56' ' ' THR . 23.9 m -62.54 -38.43 81.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.487 . . . . 64.22 111.105 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -66.22 -24.67 66.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 64.31 110.908 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.6 t -93.89 -27.73 16.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 72.44 110.858 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 9.8 m80 -89.42 58.91 4.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 62.12 110.91 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 63.22 110.9 -179.891 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.497 -0.241 . . . . 72.33 112.497 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.432 HG23 ' HD2' ' A' ' 3' ' ' PRO . 50.7 mm -84.11 133.13 46.02 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.659 0.742 . . . . 72.41 111.097 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.432 ' HD2' HG23 ' A' ' 2' ' ' ILE . 53.6 Cg_endo -69.8 143.33 50.29 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.643 2.229 . . . . 74.44 112.368 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.86 -26.64 36.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 72.34 110.903 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.5 p -62.48 -40.03 95.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 61.33 110.868 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -59.75 -58.21 9.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.096 -0.502 . . . . 72.32 110.907 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.669 ' O ' HG23 ' A' ' 11' ' ' VAL . 60.6 mt -51.87 -38.91 23.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 75.21 111.155 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -59.46 -71.7 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 73.23 110.891 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -50.04 -31.49 13.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.13 -0.486 . . . . 72.43 110.862 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.722 ' O ' HD12 ' A' ' 14' ' ' ILE . 0.7 OUTLIER -68.1 -60.79 2.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 74.42 110.857 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 7' ' ' ILE . 94.2 t -48.31 -36.32 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 71.54 111.159 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.523 ' O ' HG23 ' A' ' 16' ' ' VAL . 38.3 mmtm -67.63 -55.24 14.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 71.24 110.905 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.8 ptmt -50.98 -32.71 21.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 70.24 110.925 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.722 HD12 ' O ' ' A' ' 10' ' ' ARG . 3.4 mt -76.16 -59.88 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 73.53 111.135 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.514 HD12 HG12 ' A' ' 11' ' ' VAL . 66.3 mt -55.39 -24.6 15.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 65.22 111.097 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 12' ' ' LYS . 74.6 t -85.74 -40.67 14.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 54.44 111.141 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -73.07 -18.24 61.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 72.24 110.898 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -96.81 -51.77 4.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 72.21 110.897 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.637 HD13 HD23 ' A' ' 36' ' ' LEU . 46.8 mt -78.58 -50.28 11.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 55.14 110.879 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 109.8 -22.91 22.93 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.787 -0.72 . . . . 74.22 112.505 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 20.3 m -64.56 -178.93 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.812 0.339 . . . . 71.2 111.121 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.69 ' O ' HG23 ' A' ' 26' ' ' VAL . 1.8 t70 -90.17 132.16 35.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 74.04 110.865 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -52.13 -31.02 29.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 51.2 110.889 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.28 -58.69 4.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 54.01 111.107 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -53.92 -27.88 33.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 73.03 110.878 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.69 HG23 ' O ' ' A' ' 22' ' ' ASP . 66.7 t -67.11 89.6 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 71.01 111.132 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -59.73 131.16 50.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 71.42 110.905 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -61.72 -42.92 99.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.452 . . . . 73.3 110.881 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -69.28 -23.96 63.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 65.11 110.869 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.489 ' HB1' ' CB ' ' A' ' 35' ' ' ASP . . . -71.89 166.58 21.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 75.31 111.146 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.666 ' OG ' HG22 ' A' ' 68' ' ' THR . 11.5 t -107.45 -175.79 2.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.243 -0.435 . . . . 63.21 110.88 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.637 ' HB2' HG22 ' A' ' 43' ' ' THR . 13.1 m-85 -80.48 -33.22 36.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 75.44 110.923 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.522 HG13 ' O ' ' A' ' 38' ' ' ALA . 63.9 t -126.19 -39.48 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 73.11 111.137 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -52.48 -29.46 24.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 64.21 110.866 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.489 ' CB ' ' HB1' ' A' ' 30' ' ' ALA . 1.0 OUTLIER -118.14 -66.12 1.11 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 62.43 110.874 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.637 HD23 HD13 ' A' ' 19' ' ' LEU . 8.1 mp -51.79 -37.49 51.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 71.42 110.906 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 89.99 15.91 56.96 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.699 -0.762 . . . . 33.42 112.485 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.522 ' O ' HG13 ' A' ' 33' ' ' VAL . . . -63.42 -169.49 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.816 0.341 . . . . 41.33 111.075 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -109.98 -176.55 3.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 72.13 110.822 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.6 t -65.59 -45.33 83.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 61.15 110.827 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.2 tp -51.78 -39.72 59.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.481 . . . . 73.44 110.896 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.502 ' CG ' ' HB1' ' A' ' 38' ' ' ALA . 2.1 m-20 -55.75 -60.42 3.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.236 -0.438 . . . . 63.2 110.85 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.637 HG22 ' HB2' ' A' ' 32' ' ' PHE . 82.1 p -51.46 -53.76 33.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 71.24 111.14 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 77.6 t -54.45 -45.37 70.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 53.15 111.141 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -53.93 -46.52 71.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 74.03 110.881 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.474 HD12 ' CE2' ' A' ' 32' ' ' PHE . 44.1 mt -60.51 -49.33 78.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 51.14 110.907 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.766 HG13 HG21 ' A' ' 58' ' ' ILE . 98.6 t -49.69 -50.25 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 73.21 111.14 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 67.1 mtp -59.87 -45.67 91.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 75.42 110.889 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.69 -33.16 63.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 72.42 111.142 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.544 HD22 HG21 ' A' ' 76' ' ' VAL . 83.4 mt -72.07 -50.3 29.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 71.2 110.874 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -73.25 -7.4 51.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 62.4 110.862 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 55.1 tt0 -101.13 -43.52 5.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 63.33 110.879 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -88.85 -50.99 5.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 74.32 110.912 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.46 ' CB ' HG23 ' A' ' 56' ' ' THR . 34.4 m-85 -85.67 -6.81 59.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 72.04 110.875 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 51.14 37.8 19.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 74.32 110.82 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.46 HG23 ' CB ' ' A' ' 54' ' ' PHE . 43.5 p -86.87 141.24 28.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 60.41 111.15 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -74.76 85.86 2.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 72.45 110.903 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.766 HG21 HG13 ' A' ' 47' ' ' VAL . 49.0 mm -110.19 80.23 1.82 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.628 0.728 . . . . 72.12 111.143 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -167.32 0.22 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.662 2.241 . . . . 64.23 112.361 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -63.48 -53.15 56.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 45.21 110.876 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -52.05 -48.1 64.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 73.52 110.939 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -73.02 -24.37 60.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 72.5 110.893 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.32 -24.35 59.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 74.42 111.084 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 -82.38 -29.88 30.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 71.55 110.88 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.6 ptmm? -86.64 -33.38 20.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 75.24 110.897 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 33.2 mm -89.75 77.53 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 72.32 111.125 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.3 t -124.32 13.22 8.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 74.44 111.142 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.666 HG22 ' OG ' ' A' ' 31' ' ' SER . 15.4 p -132.85 153.2 51.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 71.12 111.17 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 60.5 t -51.41 -60.7 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 74.05 111.172 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -51.84 -42.81 62.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 42.5 110.93 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.33 -45.4 93.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 40.03 111.101 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.94 -58.04 5.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 40.22 111.108 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 3.1 tp -53.73 -32.87 22.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 73.44 111.143 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -70.06 -50.53 40.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 72.51 110.859 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -54.3 -61.01 2.58 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.233 -0.439 . . . . 72.34 110.917 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.544 HG21 HD22 ' A' ' 50' ' ' LEU . 39.3 t -53.91 -51.19 47.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.501 . . . . 73.34 111.106 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -52.31 -35.73 51.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 55.34 110.887 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.6 t -80.42 -28.88 37.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 51.25 110.871 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 23.2 m80 -100.85 51.35 0.86 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 64.13 110.886 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.468 . . . . 74.23 110.903 -179.926 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.489 -0.245 . . . . 60.51 112.489 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.423 HG23 ' HD2' ' A' ' 3' ' ' PRO . 5.2 mp -95.8 133.05 26.02 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.639 0.733 . . . . 54.22 111.141 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.423 ' HD2' HG23 ' A' ' 2' ' ' ILE . 54.0 Cg_endo -69.76 175.98 7.37 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.667 2.245 . . . . 60.34 112.346 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.496 HD12 ' H ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -97.99 33.99 2.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 74.34 110.956 179.922 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.3 p -130.74 -40.46 1.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 63.3 110.884 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -55.63 -58.51 7.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 71.21 110.898 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.581 HG23 ' CZ ' ' A' ' 54' ' ' PHE . 6.8 mt -54.15 -42.2 54.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 55.51 111.077 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -50.8 -54.05 26.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 71.31 110.844 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.9 tp10 -64.1 -32.39 73.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 73.52 110.873 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.701 ' O ' HD12 ' A' ' 14' ' ' ILE . 0.0 OUTLIER -66.55 -66.14 0.59 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 74.51 110.891 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.464 HG13 ' N ' ' A' ' 12' ' ' LYS . 8.6 p -49.58 -43.43 18.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 71.51 111.103 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.611 ' O ' HG23 ' A' ' 16' ' ' VAL . 1.4 mptm? -62.28 -49.06 77.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 75.31 110.88 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -50.92 -48.18 60.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 75.1 110.906 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.701 HD12 ' O ' ' A' ' 10' ' ' ARG . 3.0 mt -61.84 -58.39 7.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 62.4 111.111 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.444 ' CD1' HG22 ' A' ' 11' ' ' VAL . 49.4 mt -51.35 -30.97 11.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 73.4 111.144 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 12' ' ' LYS . 81.2 t -80.57 -32.61 13.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 74.43 111.113 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -80.3 -18.93 47.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 34.44 110.872 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.3 mm100 -93.27 -58.48 2.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 65.02 110.943 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.729 HD11 ' OD1' ' A' ' 42' ' ' ASP . 10.6 mp -76.48 -49.03 17.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 74.54 110.871 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 109.36 -20.69 27.62 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.731 -0.747 . . . . 53.1 112.458 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 29.3 m -54.87 172.47 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.875 0.369 . . . . 72.21 111.1 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.627 ' O ' HG23 ' A' ' 26' ' ' VAL . 12.2 t0 -83.1 130.09 35.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 55.4 110.836 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.59 ' HB3' HG21 ' A' ' 16' ' ' VAL . 1.6 pp20? -51.97 -30.14 23.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 54.52 110.912 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.75 -58.84 4.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 45.33 111.094 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -54.77 -27.18 39.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 43.23 110.873 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 22' ' ' ASP . 65.7 t -69.45 87.75 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 72.43 111.113 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -69.79 145.83 51.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 62.14 110.859 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -66.43 -38.31 87.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.463 . . . . 61.23 110.875 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -90.81 52.62 2.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 71.24 110.885 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.543 ' HB1' ' CG ' ' A' ' 35' ' ' ASP . . . -142.85 139.12 30.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 63.1 111.092 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.457 ' CB ' HG22 ' A' ' 68' ' ' THR . 5.3 m -80.11 162.75 24.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 43.34 110.882 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.684 ' HA ' HD12 ' A' ' 36' ' ' LEU . 16.7 m-85 -72.57 -23.49 60.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 74.25 110.892 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.492 HG22 ' C ' ' A' ' 38' ' ' ALA . 60.3 t -127.15 -49.06 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 75.25 111.162 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -53.36 -28.58 29.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 74.31 110.917 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.543 ' CG ' ' HB1' ' A' ' 30' ' ' ALA . 26.5 t70 -110.49 -71.26 0.77 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 71.24 110.876 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.684 HD12 ' HA ' ' A' ' 32' ' ' PHE . 30.6 mt -53.9 -61.6 2.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 72.33 110.959 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 120.55 21.97 3.19 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.702 -0.761 . . . . 61.42 112.441 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.529 ' HB1' ' CB ' ' A' ' 42' ' ' ASP . . . -72.59 -174.54 1.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.761 0.315 . . . . 74.31 111.076 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -114.46 175.3 5.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 74.2 110.83 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 26.3 t -52.16 -42.76 63.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 60.32 110.832 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.7 tp -56.4 -32.0 64.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 73.24 110.904 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.729 ' OD1' HD11 ' A' ' 19' ' ' LEU . 5.4 t70 -66.68 -55.62 14.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 72.14 110.843 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.51 HG22 ' HD2' ' A' ' 32' ' ' PHE . 34.6 p -53.05 -54.67 31.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 60.31 111.094 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 27.7 m -57.47 -37.28 56.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 62.13 111.139 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -58.8 -48.38 81.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 72.14 110.852 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.548 HD12 ' CE2' ' A' ' 32' ' ' PHE . 26.9 mt -62.37 -46.16 89.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.45 . . . . 61.44 110.958 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.579 HG13 HG21 ' A' ' 58' ' ' ILE . 97.2 t -51.32 -49.29 31.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 74.24 111.089 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.6 mmt -62.42 -45.58 92.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 73.05 110.851 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.37 -29.3 63.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 61.23 111.115 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 77.9 mt -75.59 -55.59 5.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.457 . . . . 73.13 110.958 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -61.82 -17.32 55.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 72.43 110.831 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.5 tm-20 -95.28 -57.09 2.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 74.32 110.903 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -66.86 -55.81 13.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 73.1 110.855 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.581 ' CZ ' HG23 ' A' ' 7' ' ' ILE . 25.2 m-85 -79.32 -2.23 40.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 72.43 110.903 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 51.88 39.87 26.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 75.33 110.884 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.448 HG23 ' HB3' ' A' ' 54' ' ' PHE . 38.6 p -96.22 166.02 11.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 64.24 111.123 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -103.38 84.97 2.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 74.4 110.903 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.579 HG21 HG13 ' A' ' 47' ' ' VAL . 50.5 mm -111.4 79.48 2.25 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.61 0.719 . . . . 52.11 111.144 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -170.35 0.39 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.706 2.271 . . . . 72.3 112.311 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -54.52 -45.08 73.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 72.11 110.864 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -56.81 -63.98 1.03 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 75.13 110.844 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.12 -18.23 56.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 71.44 110.889 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.38 -31.57 48.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 74.32 111.085 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -75.09 -31.99 61.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 72.41 110.88 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.3 ptmt -82.8 -32.08 27.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 73.24 110.838 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 40.5 mm -92.78 82.62 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 74.21 111.1 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.0 t -125.18 21.19 8.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 64.42 111.135 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.457 HG22 ' CB ' ' A' ' 31' ' ' SER . 33.9 p -147.68 153.79 39.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 61.11 111.184 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 97.7 t -51.68 -60.56 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.439 . . . . 73.43 111.15 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -51.22 -40.36 58.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 75.31 110.905 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.1 -48.08 77.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 55.34 111.096 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.88 -56.48 15.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 72.42 111.077 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.441 HD13 HG11 ' A' ' 11' ' ' VAL . 5.4 tp -54.58 -32.86 25.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 75.41 111.127 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -69.19 -45.97 68.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.446 . . . . 75.14 110.795 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.42 ' CE1' HD11 ' A' ' 58' ' ' ILE . 3.0 t80 -59.6 -61.6 2.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 63.12 110.935 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 60.8 t -52.58 -50.26 41.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 61.12 111.143 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -58.08 -32.98 68.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 75.44 110.916 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 29.0 t -77.75 -32.44 52.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 63.34 110.89 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 13.0 m80 -99.79 33.58 2.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 73.44 110.875 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 70.04 110.972 -179.976 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.5 -0.24 . . . . 65.42 112.5 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.3 pt -118.67 158.56 47.03 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.613 0.72 . . . . 73.44 111.178 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 5.67 1.58 Allowed 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.688 2.259 . . . . 71.33 112.334 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.9 mt 62.79 20.62 12.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.235 -0.438 . . . . 74.41 110.959 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 p -115.15 -23.16 9.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 63.35 110.867 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -68.47 -56.75 7.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.479 . . . . 72.22 110.908 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.659 ' O ' HG23 ' A' ' 11' ' ' VAL . 97.1 mt -51.57 -52.08 22.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 74.33 111.167 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -50.91 -53.28 34.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 62.33 110.906 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -58.83 -54.59 45.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 33.44 110.908 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.695 ' O ' HD12 ' A' ' 14' ' ' ILE . 3.8 mtp85 -51.52 -53.84 33.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 63.11 110.855 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.744 ' O ' HD12 ' A' ' 15' ' ' ILE . 95.1 t -48.65 -58.63 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 73.34 111.114 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.672 ' O ' HG23 ' A' ' 16' ' ' VAL . 39.0 mmtm -51.13 -47.21 62.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 61.11 110.889 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.7 ttpt -51.89 -56.14 15.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 70.43 110.889 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.695 HD12 ' O ' ' A' ' 10' ' ' ARG . 3.0 mt -50.68 -56.58 4.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.454 . . . . 74.33 111.108 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.744 HD12 ' O ' ' A' ' 11' ' ' VAL . 3.1 mt -54.82 -28.26 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 64.54 111.123 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.672 HG23 ' O ' ' A' ' 12' ' ' LYS . 79.4 t -82.16 -24.93 9.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 64.23 111.136 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -91.53 -15.83 28.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 73.2 110.883 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -96.26 -53.54 3.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 62.32 110.922 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -83.87 -36.98 23.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.236 -0.438 . . . . 74.13 110.886 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.09 -18.92 55.81 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.742 . . . . 72.31 112.496 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 20.4 m -58.8 178.65 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.837 0.351 . . . . 63.52 111.122 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.54 ' O ' HG23 ' A' ' 26' ' ' VAL . 20.0 m-20 -83.41 139.34 33.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 73.31 110.909 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.542 ' HB3' HG21 ' A' ' 16' ' ' VAL . 10.2 pt-20 -63.37 -24.84 68.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 71.34 110.878 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.92 -63.24 1.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 53.43 111.134 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -52.08 -29.89 23.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 71.11 110.902 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 22' ' ' ASP . 90.4 t -69.94 101.13 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 65.14 111.159 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 52.6 mttt -98.59 173.27 7.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 61.44 110.904 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -95.33 14.0 23.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 52.44 110.891 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -123.16 23.75 9.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 74.24 110.897 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -124.52 -175.02 3.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 65.34 111.124 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.758 ' O ' HD23 ' A' ' 36' ' ' LEU . 15.4 m -128.59 -169.8 2.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 75.34 110.846 -179.79 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.62 ' HD2' HG22 ' A' ' 43' ' ' THR . 6.6 m-85 -100.65 -40.92 7.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 73.43 110.915 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.678 HG23 ' O ' ' A' ' 38' ' ' ALA . 7.6 p -122.93 -34.74 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 71.14 111.126 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -60.52 -26.15 66.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 62.55 110.876 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -123.11 -65.77 1.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 64.13 110.898 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.758 HD23 ' O ' ' A' ' 31' ' ' SER . 3.7 mm? -51.83 -36.84 49.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 74.52 110.965 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.32 18.56 57.07 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.726 -0.749 . . . . 65.14 112.462 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.678 ' O ' HG23 ' A' ' 33' ' ' VAL . . . -63.95 -169.55 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.807 0.337 . . . . 55.3 111.076 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -108.42 -176.96 3.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 72.43 110.888 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.6 t -66.44 -38.03 86.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 75.33 110.888 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.9 tp -56.65 -35.2 68.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 50.22 110.953 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -61.99 -59.63 4.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 45.42 110.907 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.62 HG22 ' HD2' ' A' ' 32' ' ' PHE . 19.0 p -51.45 -53.06 40.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 63.34 111.153 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 57.7 t -57.67 -35.62 51.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 70.32 111.139 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -61.27 -49.87 75.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 75.25 110.93 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.557 HD12 ' CE2' ' A' ' 32' ' ' PHE . 23.0 mt -62.99 -46.3 88.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.096 -0.502 . . . . 73.03 110.905 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.789 HG13 HG21 ' A' ' 58' ' ' ILE . 91.2 t -51.2 -50.88 24.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 71.4 111.089 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 16.1 mtp -60.42 -49.37 77.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 73.53 110.878 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.43 -29.17 48.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 33.43 111.049 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.632 HD12 ' HA ' ' A' ' 47' ' ' VAL . 14.8 mt -75.66 -49.31 18.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 74.44 110.942 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -73.81 -7.02 50.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 73.51 110.86 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -104.6 -42.26 5.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 65.22 110.867 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -87.13 -45.72 10.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 72.1 110.875 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -94.52 -1.58 53.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 70.1 110.851 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 50.95 30.78 5.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 62.1 110.877 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.75 HG21 HG12 ' A' ' 76' ' ' VAL . 5.0 t -91.36 120.03 31.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 73.12 111.142 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -59.4 134.94 57.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.43 . . . . 75.2 110.879 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.789 HG21 HG13 ' A' ' 47' ' ' VAL . 32.6 mm -144.49 81.99 10.79 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.577 0.703 . . . . 63.21 111.15 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -165.84 0.17 Allowed 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.627 2.218 . . . . 71.54 112.376 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -69.72 -52.15 28.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 75.32 110.903 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -54.39 -32.4 57.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 75.23 110.914 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -89.59 -24.93 21.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 73.42 110.941 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.18 -25.58 61.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 73.1 111.139 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -80.25 -34.51 37.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 72.0 110.864 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.7 pttp -81.3 -32.84 32.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 73.11 110.895 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 48.6 mm -89.83 95.05 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 74.43 111.192 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 80.7 p -141.17 20.45 2.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 65.31 111.145 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.446 HG22 ' HB3' ' A' ' 31' ' ' SER . 17.7 p -144.84 167.8 21.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.182 -0.463 . . . . 74.44 111.118 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 67.8 t -61.45 -60.5 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 71.3 111.162 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 8.2 tp60 -50.7 -45.04 58.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 63.23 110.893 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.61 -42.9 97.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 73.31 111.107 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.02 -59.61 2.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 65.32 111.153 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.531 HD12 HG21 ' A' ' 11' ' ' VAL . 5.4 tp -52.36 -34.64 18.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 64.3 111.114 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -69.95 -46.01 66.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.45 . . . . 74.33 110.848 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.463 ' CZ ' HD13 ' A' ' 58' ' ' ILE . 4.8 t80 -56.74 -59.02 5.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 75.01 110.926 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.75 HG12 HG21 ' A' ' 56' ' ' THR . 21.3 m -58.96 -39.1 77.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 54.32 111.121 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -58.67 -38.82 79.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 71.04 110.893 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 65.0 p -81.39 -26.38 35.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 62.54 110.875 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 17.4 m80 -97.83 60.94 1.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 74.42 110.826 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 71.31 110.927 -179.937 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.488 -0.245 . . . . 70.12 112.488 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.427 HG23 ' HD2' ' A' ' 3' ' ' PRO . 62.5 mt -105.14 133.09 20.33 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.629 0.728 . . . . 71.14 111.12 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.427 ' HD2' HG23 ' A' ' 2' ' ' ILE . 53.9 Cg_endo -69.8 174.88 8.89 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.687 2.258 . . . . 65.21 112.346 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.4 mt -95.77 26.05 4.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.439 . . . . 53.25 110.914 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.4 t -126.46 -38.27 2.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 64.23 110.85 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -63.02 -50.78 69.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 72.12 110.882 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.673 ' O ' HG23 ' A' ' 11' ' ' VAL . 55.7 mt -51.33 -52.54 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 73.5 111.135 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -50.56 -54.75 20.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 55.24 110.907 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -58.76 -50.35 74.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 63.05 110.876 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -54.96 -62.92 1.34 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 65.24 110.898 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.706 ' O ' HD12 ' A' ' 15' ' ' ILE . 45.3 t -45.71 -55.14 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 65.34 111.157 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.573 ' O ' HG23 ' A' ' 16' ' ' VAL . 3.4 mmtp -50.2 -39.14 43.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 73.14 110.85 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.5 ttmt -66.36 -36.2 82.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 71.43 110.938 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 9.6 mm -63.11 -50.19 80.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 44.5 111.118 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.706 HD12 ' O ' ' A' ' 11' ' ' VAL . 3.6 mp -64.21 -37.62 80.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 74.54 111.117 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 12' ' ' LYS . 98.8 t -74.69 -23.63 17.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 51.32 111.132 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -89.29 -25.62 21.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 74.52 110.887 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -91.33 -65.1 1.04 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 73.02 110.913 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 58.2 mt -61.02 -49.17 78.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.464 . . . . 54.21 110.897 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.58 19.26 20.89 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.732 -0.747 . . . . 62.1 112.485 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.497 ' O ' HG13 ' A' ' 16' ' ' VAL . 26.8 m -107.31 -178.7 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.835 0.35 . . . . 63.42 111.104 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -88.7 141.19 28.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 64.24 110.844 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -52.17 -31.91 33.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 72.11 110.902 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.59 -30.09 19.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 52.0 111.098 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -68.48 -41.32 80.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 74.01 110.912 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.402 HG13 HG11 ' A' ' 69' ' ' VAL . 57.5 t -65.55 100.7 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 63.3 111.141 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.6 mttp -92.93 -0.14 57.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 71.23 110.894 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 20.8 m120 59.25 19.53 7.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 72.11 110.838 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -129.92 7.78 5.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 74.2 110.881 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.724 ' HB1' ' CB ' ' A' ' 35' ' ' ASP . . . -127.41 -177.17 3.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 62.43 111.054 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.58 ' HB3' HG22 ' A' ' 68' ' ' THR . 2.3 m -112.75 -177.56 3.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 71.02 110.837 -179.757 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.564 ' HB2' HG22 ' A' ' 43' ' ' THR . 11.4 m-85 -84.14 -33.64 24.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 73.44 110.861 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 38' ' ' ALA . 9.1 p -121.63 -33.83 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 62.54 111.165 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -63.39 -22.98 67.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 72.14 110.877 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.724 ' CB ' ' HB1' ' A' ' 30' ' ' ALA . 9.9 t70 -120.12 -74.01 0.63 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 74.41 110.894 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 44.1 mt -51.54 -33.89 34.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 63.32 110.875 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 85.52 21.09 55.16 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.723 -0.751 . . . . 73.44 112.496 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.693 ' O ' HG23 ' A' ' 33' ' ' VAL . . . -61.72 -169.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.823 0.344 . . . . 51.21 111.085 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -113.48 -179.23 3.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 72.2 110.876 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.434 ' O ' HG23 ' A' ' 44' ' ' VAL . 40.7 m -63.42 -38.08 89.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 64.02 110.862 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.0 tp -57.99 -34.92 70.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 53.53 110.941 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -66.71 -59.31 3.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 60.54 110.895 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.564 HG22 ' HB2' ' A' ' 32' ' ' PHE . 41.0 p -51.71 -52.87 45.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 72.42 111.15 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 40' ' ' SER . 58.1 t -58.37 -38.96 72.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 65.44 111.151 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -58.01 -46.47 85.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 73.12 110.892 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.557 HD12 ' CE2' ' A' ' 32' ' ' PHE . 30.6 mt -62.69 -49.41 75.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 75.14 110.923 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.69 HG13 HG21 ' A' ' 58' ' ' ILE . 98.0 t -51.24 -50.49 26.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 74.34 111.143 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.09 -41.07 95.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 74.14 110.903 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.63 -33.17 71.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 74.35 111.103 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.812 HD22 HG21 ' A' ' 76' ' ' VAL . 75.9 mt -72.84 -56.33 5.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 60.44 110.93 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.42 -12.98 57.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 73.11 110.918 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -94.37 -52.98 4.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 74.31 110.926 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.56 -57.25 3.96 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.17 -0.468 . . . . 71.14 110.905 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.575 ' HB3' HG23 ' A' ' 56' ' ' THR . 27.2 m-85 -75.18 -5.94 47.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 74.21 110.863 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 52.09 37.51 21.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 75.43 110.82 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.575 HG23 ' HB3' ' A' ' 54' ' ' PHE . 50.9 p -87.93 165.27 15.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 71.02 111.152 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -98.44 85.17 3.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 75.54 110.909 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.69 HG21 HG13 ' A' ' 47' ' ' VAL . 51.4 mm -111.62 77.8 1.89 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.6 0.714 . . . . 74.12 111.146 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -170.15 0.37 Allowed 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.732 2.288 . . . . 71.23 112.343 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -53.74 -48.98 69.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 71.13 110.883 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 82.0 mt-10 -54.42 -66.84 0.33 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 74.02 110.904 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -55.28 -25.65 35.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 74.3 110.85 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.31 -28.48 61.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 22.44 111.102 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -79.01 -33.98 44.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 74.33 110.892 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -81.06 -32.65 33.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 75.54 110.908 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.4 HD11 ' HD2' ' A' ' 75' ' ' TYR . 30.6 mm -90.06 85.23 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 54.54 111.167 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.0 t -128.07 19.75 6.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 55.2 111.175 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.58 HG22 ' HB3' ' A' ' 31' ' ' SER . 16.9 p -139.74 175.87 9.21 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.185 -0.462 . . . . 73.45 111.129 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.402 HG11 HG13 ' A' ' 26' ' ' VAL . 16.4 t -73.19 -63.33 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 62.41 111.126 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.422 ' HA ' HG22 ' A' ' 73' ' ' ILE . 6.3 tp-100 -50.81 -39.19 52.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 60.53 110.863 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.02 -43.83 94.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 54.23 111.104 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.91 -57.23 5.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 73.15 111.107 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.666 HD12 HG21 ' A' ' 11' ' ' VAL . 6.5 tp -53.91 -33.89 24.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 75.41 111.11 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -69.52 -50.22 47.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 63.35 110.877 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.4 ' CE1' HD11 ' A' ' 58' ' ' ILE . 2.4 t80 -54.11 -62.42 1.67 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 73.24 110.877 -179.786 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.812 HG21 HD22 ' A' ' 50' ' ' LEU . 85.2 t -52.69 -50.57 40.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.49 . . . . 74.1 111.179 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.652 ' HA ' HD13 ' A' ' 7' ' ' ILE . 23.9 t-20 -58.62 -26.5 63.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 71.24 110.855 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.9 t -83.88 -35.62 23.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 61.01 110.87 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 17.1 m80 -96.95 54.59 1.27 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.082 -0.508 . . . . 63.35 110.856 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 71.12 110.949 -179.956 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.484 -0.247 . . . . 41.54 112.484 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.441 HG23 ' HD2' ' A' ' 3' ' ' PRO . 66.0 mt -104.44 133.11 20.37 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.68 0.752 . . . . 75.14 111.103 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.441 ' HD2' HG23 ' A' ' 2' ' ' ILE . 53.3 Cg_endo -69.84 175.25 8.42 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.693 2.262 . . . . 54.23 112.337 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -95.89 29.31 2.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.232 -0.44 . . . . 74.2 110.873 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 m -128.1 -38.97 1.77 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 65.33 110.826 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -61.4 -55.04 35.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 64.33 110.873 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.633 ' O ' HG23 ' A' ' 11' ' ' VAL . 31.5 mt -51.59 -43.37 32.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 71.32 111.175 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -52.13 -58.46 6.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.463 . . . . 74.5 110.926 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 23.2 tp10 -60.03 -41.75 92.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 74.31 110.881 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.9 mmp_? -59.35 -65.89 0.6 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 65.3 110.876 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.731 ' O ' HD12 ' A' ' 15' ' ' ILE . 39.9 t -45.79 -47.5 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 55.03 111.139 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.68 ' O ' HG23 ' A' ' 16' ' ' VAL . 2.1 mptp? -51.67 -52.77 45.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 73.53 110.886 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.3 ttmm -54.04 -38.64 65.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.424 . . . . 72.33 110.901 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 11.8 mm -59.62 -64.32 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 74.33 111.127 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.731 HD12 ' O ' ' A' ' 11' ' ' VAL . 3.3 mp -51.32 -28.82 8.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 74.31 111.104 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.68 HG23 ' O ' ' A' ' 12' ' ' LYS . 78.4 t -72.78 -54.53 15.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 51.11 111.133 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -60.29 -24.78 65.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 72.34 110.88 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.0 mm100 -82.84 -48.42 10.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 70.31 110.954 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.598 HD21 ' HB3' ' A' ' 36' ' ' LEU . 8.9 mp -89.17 -75.46 0.44 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 73.41 110.931 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 137.4 -17.04 3.56 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.738 -0.744 . . . . 52.43 112.489 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 22.7 m -60.11 -179.15 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.835 0.35 . . . . 64.43 111.125 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.55 127.76 34.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 71.33 110.863 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.41 -29.92 26.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 62.21 110.888 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.74 -45.9 84.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 64.03 111.111 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -60.85 -29.98 69.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 74.43 110.892 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 24.5 t -66.84 118.4 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 62.12 111.13 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.9 mtmt -104.25 165.97 10.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 75.14 110.887 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -77.04 -26.86 54.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 73.4 110.871 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -95.75 25.53 4.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 74.12 110.856 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.63 156.56 16.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 24.44 111.098 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.541 ' HA ' HG22 ' A' ' 68' ' ' THR . 8.3 t -91.29 -169.61 2.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 53.32 110.864 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.605 ' HD2' HG22 ' A' ' 43' ' ' THR . 3.3 m-30 -108.0 -22.59 12.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 74.04 110.867 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 19.1 m -135.13 -39.73 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.472 . . . . 51.12 111.128 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -64.58 -27.14 68.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 62.23 110.902 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -109.55 -44.2 3.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 62.43 110.862 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.598 ' HB3' HD21 ' A' ' 19' ' ' LEU . 14.7 mt -77.0 -4.37 43.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 72.13 110.945 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 61.75 15.8 49.24 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.684 -0.77 . . . . 71.04 112.506 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -80.98 -170.69 2.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.821 0.343 . . . . 74.43 111.077 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -135.13 -77.78 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 74.44 110.849 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.621 ' O ' HG23 ' A' ' 44' ' ' VAL . 2.8 m -133.1 -40.76 0.91 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 73.3 110.88 -179.753 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.587 HD12 ' N ' ' A' ' 42' ' ' ASP . 3.2 pp -51.64 -31.15 24.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 65.12 110.931 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.587 ' N ' HD12 ' A' ' 41' ' ' LEU . 4.3 t70 -69.16 -65.52 0.7 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 71.2 110.886 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.605 HG22 ' HD2' ' A' ' 32' ' ' PHE . 42.4 p -49.29 -40.94 36.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 71.34 111.109 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 40' ' ' SER . 79.3 t -61.99 -50.06 81.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 52.31 111.102 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.05 -38.28 90.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 74.23 110.855 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.419 HD22 HG13 ' A' ' 15' ' ' ILE . 57.6 mt -67.64 -59.23 3.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.184 -0.462 . . . . 52.42 110.931 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.607 HG13 ' CG2' ' A' ' 58' ' ' ILE . 89.3 t -50.42 -43.55 22.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 54.13 111.142 179.783 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 7.9 mtt -70.57 -41.37 72.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 75.31 110.868 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.54 -25.57 66.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 43.32 111.107 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 84.3 mt -83.9 -55.69 4.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 64.11 110.915 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -59.41 -20.49 55.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 73.1 110.888 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 -92.5 -56.83 2.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 74.33 110.917 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 25.8 tp10 -66.55 -61.62 1.89 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 74.44 110.951 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.494 ' HB3' HG23 ' A' ' 56' ' ' THR . 17.3 m-85 -70.5 -10.92 60.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 61.23 110.885 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 59.46 41.2 19.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 60.31 110.836 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.494 HG23 ' HB3' ' A' ' 54' ' ' PHE . 76.0 p -99.17 166.91 11.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 75.41 111.087 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -101.63 85.57 2.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 64.21 110.879 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.607 ' CG2' HG13 ' A' ' 47' ' ' VAL . 48.1 mm -111.33 79.07 2.04 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.616 0.722 . . . . 61.2 111.146 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -170.91 0.42 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.71 2.274 . . . . 71.44 112.327 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -54.57 -47.12 73.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 72.1 110.851 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -55.38 -63.91 1.01 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 74.01 110.87 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -60.59 -19.12 56.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 73.35 110.874 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.28 -29.12 47.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 64.32 111.101 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -78.76 -34.74 45.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 65.35 110.886 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.1 pttt -76.39 -36.03 58.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 74.32 110.904 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 38.6 mm -84.18 82.83 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 73.51 111.145 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 44.0 p -124.49 21.97 8.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 64.35 111.127 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.541 HG22 ' HA ' ' A' ' 31' ' ' SER . 40.1 p -152.15 151.8 31.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 75.03 111.085 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 42.3 t -51.26 -58.25 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 75.04 111.119 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.26 -44.94 61.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 75.11 110.884 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.11 -47.59 85.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 63.12 111.149 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.76 -59.33 4.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 74.2 111.119 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 2.7 tp -53.12 -32.37 18.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 74.32 111.078 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -70.48 -41.47 72.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 64.5 110.869 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.402 ' CE1' HD11 ' A' ' 58' ' ' ILE . 4.6 t80 -61.38 -57.73 11.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 71.22 110.927 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 58.2 t -59.59 -37.87 72.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 71.43 111.1 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -75.05 -18.53 60.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 63.45 110.867 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 46.9 t -92.81 -22.68 19.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 73.12 110.866 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 5.5 m80 -97.23 -39.05 9.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 75.31 110.86 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 64.2 110.91 -179.934 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.469 -0.253 . . . . 72.41 112.469 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.51 ' H ' HD12 ' A' ' 2' ' ' ILE . 2.3 mp -93.18 131.84 32.04 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.628 0.728 . . . . 64.41 111.109 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 5.05 1.83 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.69 2.26 . . . . 75.43 112.341 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.9 mt 62.87 16.52 9.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 75.42 110.947 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 m -115.84 -22.47 9.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 62.24 110.885 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -71.53 -55.84 7.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 75.14 110.921 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.453 ' O ' HG23 ' A' ' 11' ' ' VAL . 24.4 mt -52.39 -44.9 44.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 64.1 111.117 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -50.85 -63.91 0.98 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 70.14 110.888 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -56.64 -37.03 70.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 73.22 110.938 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.759 ' O ' HD12 ' A' ' 14' ' ' ILE . 9.6 tpp180 -60.02 -67.14 0.42 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 71.42 110.827 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.971 HG21 HD12 ' A' ' 73' ' ' ILE . 39.8 t -48.85 -55.31 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 74.04 111.129 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.596 ' O ' HG23 ' A' ' 16' ' ' VAL . 37.7 mmtm -50.59 -39.49 49.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 61.31 110.923 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.3 ttpt -61.03 -50.45 73.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 73.21 110.9 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.759 HD12 ' O ' ' A' ' 10' ' ' ARG . 2.8 mp -61.05 -46.23 97.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 70.44 111.154 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.532 ' CD1' HG12 ' A' ' 11' ' ' VAL . 50.1 mt -60.21 -32.84 51.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 74.14 111.164 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.678 HG13 ' O ' ' A' ' 21' ' ' VAL . 92.6 t -84.09 -24.42 7.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 75.33 111.112 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -87.5 -17.39 32.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 70.43 110.873 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -98.29 -47.49 5.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 64.21 110.919 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.738 HD21 ' CG ' ' A' ' 42' ' ' ASP . 58.1 mt -87.97 -43.24 11.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 73.15 110.952 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.3 -17.67 43.38 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.743 -0.742 . . . . 74.44 112.469 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.678 ' O ' HG13 ' A' ' 16' ' ' VAL . 18.4 m -60.62 -173.33 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.817 0.341 . . . . 73.23 111.139 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -98.62 144.08 28.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 64.42 110.847 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -70.27 -10.84 60.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 70.25 110.894 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.16 -37.41 18.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 55.32 111.116 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -76.65 -36.08 57.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 71.21 110.964 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 9.7 p -62.98 136.51 25.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.093 -0.503 . . . . 71.21 111.145 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 68.6 mmtt -103.98 -174.82 2.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 72.02 110.908 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.414 ' HA ' HG11 ' A' ' 69' ' ' VAL . 7.8 m120 -109.68 -43.55 4.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 75.43 110.883 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -66.79 -34.1 77.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 74.33 110.91 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.679 ' HB1' ' HB2' ' A' ' 35' ' ' ASP . . . -65.3 162.0 18.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 51.22 111.092 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.626 ' HB3' HG22 ' A' ' 68' ' ' THR . 1.1 m -104.82 -179.34 3.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 73.23 110.872 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.574 ' HB2' HG22 ' A' ' 43' ' ' THR . 11.9 m-85 -76.91 -25.68 53.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 61.44 110.902 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.564 HG12 ' O ' ' A' ' 38' ' ' ALA . 15.7 m -127.71 -39.35 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 73.53 111.159 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -51.8 -34.38 39.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 64.35 110.868 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.679 ' HB2' ' HB1' ' A' ' 30' ' ' ALA . 1.5 m-20 -117.79 -60.58 1.79 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 64.54 110.829 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.591 HD23 ' CD1' ' A' ' 19' ' ' LEU . 7.3 mp -54.91 -26.57 36.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 64.44 110.891 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 70.07 22.52 77.27 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.75 -0.738 . . . . 71.12 112.499 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.564 ' O ' HG12 ' A' ' 33' ' ' VAL . . . -70.55 -170.02 0.37 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.789 0.328 . . . . 33.4 111.116 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -113.47 170.18 8.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 72.34 110.834 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.563 ' O ' HG23 ' A' ' 44' ' ' VAL . 1.0 OUTLIER -52.98 -33.71 52.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 70.24 110.866 -179.763 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.3 tp -59.28 -40.13 85.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 63.42 110.936 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.738 ' CG ' HD21 ' A' ' 19' ' ' LEU . 4.5 t0 -60.65 -56.8 16.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 74.04 110.869 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.603 ' O ' HG23 ' A' ' 47' ' ' VAL . 62.6 p -51.17 -53.31 35.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 51.44 111.155 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 40' ' ' SER . 48.1 t -55.48 -38.44 49.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.229 -0.441 . . . . 71.13 111.114 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -60.85 -46.26 91.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 71.25 110.898 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 32.1 mt -65.71 -47.74 74.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 72.24 110.916 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.732 HG13 HG21 ' A' ' 58' ' ' ILE . 61.2 t -51.07 -48.39 30.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 63.32 111.102 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.03 -50.81 69.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 61.15 110.892 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.95 -25.9 32.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 51.32 111.1 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.735 HD22 HG11 ' A' ' 76' ' ' VAL . 65.2 mt -78.07 -52.59 8.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 73.33 110.904 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.28 -12.97 61.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 73.23 110.845 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -99.05 -48.62 4.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 62.02 110.893 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -77.56 -54.7 6.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 73.44 110.865 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -80.82 -4.95 56.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 74.44 110.939 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 50.86 41.56 26.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 33.21 110.877 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.7 t -101.74 129.13 47.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 75.21 111.167 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -62.66 115.51 4.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 73.11 110.861 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.732 HG21 HG13 ' A' ' 47' ' ' VAL . 38.7 mm -134.49 78.19 57.39 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.612 0.72 . . . . 71.42 111.151 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -176.3 1.46 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.684 2.256 . . . . 51.3 112.334 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -52.72 -49.1 66.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 75.34 110.884 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -53.48 -68.39 0.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 72.21 110.863 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -54.83 -26.17 33.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 64.31 110.844 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.23 -29.04 63.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 72.23 111.102 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -77.68 -34.05 53.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 64.21 110.894 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.9 ptmt -82.83 -32.78 27.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 74.02 110.883 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 38.7 mm -89.85 85.82 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 42.53 111.173 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 39.8 p -129.71 23.21 5.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 55.53 111.169 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.626 HG22 ' HB3' ' A' ' 31' ' ' SER . 19.3 p -141.6 171.69 13.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.186 -0.461 . . . . 72.31 111.126 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.477 HG22 ' HE1' ' A' ' 32' ' ' PHE . 92.3 t -70.26 -62.44 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.259 -0.428 . . . . 73.2 111.155 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -50.08 -39.01 41.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 73.43 110.899 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.95 -47.97 72.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 73.23 111.122 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.52 -55.03 27.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 73.14 111.053 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.971 HD12 HG21 ' A' ' 11' ' ' VAL . 1.2 tp -55.6 -35.85 40.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 63.12 111.136 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -69.05 -37.68 78.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 50.22 110.865 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -64.96 -62.93 1.26 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 64.25 110.946 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.735 HG11 HD22 ' A' ' 50' ' ' LEU . 17.0 m -54.34 -41.71 54.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 70.34 111.08 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -68.5 -28.62 67.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 52.53 110.911 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.1 t -81.08 -32.86 33.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 55.14 110.857 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 8.3 m80 -92.77 60.1 3.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 75.11 110.832 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.482 ' OE1' HD13 ' A' ' 2' ' ' ILE . 9.7 pt20 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 70.45 110.9 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.463 -0.255 . . . . 70.2 112.463 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.429 HG23 ' HD2' ' A' ' 3' ' ' PRO . 4.5 mp -77.01 133.08 69.7 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.667 0.746 . . . . 64.3 111.147 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.429 ' HD2' HG23 ' A' ' 2' ' ' ILE . 53.6 Cg_endo -69.75 141.28 44.83 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.717 2.278 . . . . 74.14 112.348 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -56.59 -24.97 51.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 43.53 110.898 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.3 p -65.31 -43.56 90.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 65.01 110.837 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -57.74 -57.95 10.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 63.31 110.9 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.63 ' O ' HG23 ' A' ' 11' ' ' VAL . 44.1 mt -57.09 -36.77 52.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 74.11 111.125 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -55.92 -54.95 38.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 75.43 110.843 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 49.9 tt0 -62.98 -36.21 82.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 73.51 110.862 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.682 ' O ' HD12 ' A' ' 14' ' ' ILE . 6.6 mtp85 -65.08 -63.52 1.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 63.02 110.895 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.744 ' O ' HD12 ' A' ' 15' ' ' ILE . 38.3 t -49.87 -57.55 2.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 73.14 111.138 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.619 ' O ' HG23 ' A' ' 16' ' ' VAL . 20.2 mmtp -50.55 -47.92 57.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 72.41 110.9 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.8 ttpt -50.17 -55.39 15.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 75.41 110.905 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.682 HD12 ' O ' ' A' ' 10' ' ' ARG . 2.9 mp -52.73 -59.19 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 71.55 111.084 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.744 HD12 ' O ' ' A' ' 11' ' ' VAL . 2.9 mp -52.89 -36.03 22.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 62.41 111.169 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.686 HG21 ' HB3' ' A' ' 23' ' ' GLU . 72.2 t -74.1 -25.08 19.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 54.03 111.14 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.9 mm-40 -87.55 -25.03 23.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 72.24 110.915 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -87.39 -65.35 1.02 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 75.31 110.946 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -55.77 -47.48 76.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 73.03 110.875 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 107.28 -16.87 37.98 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.769 -0.729 . . . . 55.12 112.485 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.429 ' O ' HG13 ' A' ' 16' ' ' VAL . 26.0 m -66.61 173.34 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.863 0.364 . . . . 61.32 111.094 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.66 139.69 31.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 63.02 110.89 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.686 ' HB3' HG21 ' A' ' 16' ' ' VAL . 2.6 pp20? -61.24 -18.17 57.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 75.23 110.9 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.2 -25.44 31.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 72.02 111.077 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -98.06 34.32 1.96 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 52.52 110.922 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.654 HG12 ' O ' ' A' ' 23' ' ' GLU . 7.8 p -134.39 150.55 30.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 51.34 111.15 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.0 mttm -133.35 169.48 16.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 63.23 110.922 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -83.15 -24.98 32.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.268 -0.423 . . . . 72.22 110.896 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -81.27 -8.48 59.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 74.21 110.898 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.24 -169.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 73.1 111.112 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.793 ' HA ' HG22 ' A' ' 68' ' ' THR . 19.0 m -132.19 -176.45 4.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 61.4 110.826 -179.775 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.764 ' CE2' HD12 ' A' ' 46' ' ' LEU . 3.1 m-30 -100.12 -12.68 19.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 74.22 110.881 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 38' ' ' ALA . 4.0 p -157.72 -45.0 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 62.53 111.102 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.43 ' N ' HG13 ' A' ' 33' ' ' VAL . 10.7 t70 -55.68 -27.03 47.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 73.45 110.842 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -110.67 -61.74 1.63 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 61.0 110.892 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.748 HD23 ' O ' ' A' ' 31' ' ' SER . 3.2 mm? -51.23 -63.43 1.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 71.34 110.906 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 126.68 3.04 6.62 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.729 -0.748 . . . . 73.33 112.494 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.654 ' O ' HG23 ' A' ' 33' ' ' VAL . . . -60.8 -168.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.818 0.342 . . . . 62.24 111.092 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -131.05 -79.09 0.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 71.44 110.833 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.441 ' O ' HG22 ' A' ' 44' ' ' VAL . 1.4 t -140.83 -43.75 0.39 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 72.41 110.83 -179.731 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -53.43 -28.38 29.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 62.23 110.92 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.444 ' HB3' ' HB1' ' A' ' 38' ' ' ALA . 5.1 t70 -70.37 -60.18 2.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 72.51 110.874 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.704 ' O ' HG23 ' A' ' 47' ' ' VAL . 3.0 p -48.7 -51.12 30.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.14 -0.482 . . . . 61.31 111.147 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.441 HG22 ' O ' ' A' ' 40' ' ' SER . 30.7 m -62.86 -38.05 80.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 41.12 111.123 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -60.13 -53.29 59.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 65.21 110.849 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.764 HD12 ' CE2' ' A' ' 32' ' ' PHE . 16.2 mt -57.24 -48.31 79.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 72.43 110.907 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.704 HG23 ' O ' ' A' ' 43' ' ' THR . 97.8 t -50.93 -48.66 28.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 64.43 111.101 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 3.4 mtt -61.77 -46.88 87.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 75.23 110.832 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.38 -29.64 61.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 54.1 111.08 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 81.8 mt -74.87 -54.91 6.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 73.22 110.935 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -64.09 -15.13 58.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 72.42 110.909 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -96.28 -55.71 2.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 74.13 110.888 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -69.44 -54.81 12.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.473 . . . . 72.2 110.848 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.559 ' HB3' HG23 ' A' ' 56' ' ' THR . 27.0 m-85 -81.22 -0.62 41.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 73.54 110.887 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 51.19 35.57 13.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 55.3 110.849 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.559 HG23 ' HB3' ' A' ' 54' ' ' PHE . 62.3 p -91.85 172.57 8.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.468 . . . . 72.33 111.133 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -114.54 86.44 2.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 71.32 110.898 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.526 HD11 ' CE1' ' A' ' 75' ' ' TYR . 51.3 mm -111.58 78.11 1.95 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.604 0.716 . . . . 75.3 111.147 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -174.25 0.87 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.672 2.248 . . . . 71.32 112.34 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -51.36 -40.35 58.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 63.41 110.863 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -56.61 -75.12 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 72.14 110.867 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -53.8 -27.57 30.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 73.41 110.912 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.66 -44.98 95.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 41.13 111.094 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -59.41 -20.67 56.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 74.32 110.91 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.34 -45.6 10.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 74.25 110.946 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.614 HD12 ' HA ' ' A' ' 72' ' ' ALA . 50.2 mm -71.82 84.41 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 74.31 111.17 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.523 ' O ' HG23 ' A' ' 68' ' ' THR . 10.8 t -126.81 21.94 6.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 70.42 111.156 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.793 HG22 ' HA ' ' A' ' 31' ' ' SER . 0.8 OUTLIER -161.31 152.54 18.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 75.1 111.126 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.9 t -51.71 -58.65 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 74.45 111.075 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -51.63 -40.58 60.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 73.21 110.942 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.87 -46.55 81.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 60.34 111.119 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.614 ' HA ' HD12 ' A' ' 66' ' ' ILE . . . -64.9 -54.78 25.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 61.33 111.073 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.47 HD12 HG21 ' A' ' 11' ' ' VAL . 1.6 tp -56.57 -32.58 37.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 64.05 111.177 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -68.35 -49.08 62.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 63.32 110.885 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.526 ' CE1' HD11 ' A' ' 58' ' ' ILE . 4.2 t80 -58.03 -59.95 4.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 75.14 110.909 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 67.1 t -53.23 -45.74 55.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 52.33 111.134 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -64.86 -29.16 70.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 73.23 110.896 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.4 t -78.58 -33.47 47.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 75.15 110.835 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 7.9 m80 -94.2 59.45 2.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 65.22 110.85 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 11.5 mm-40 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 71.12 110.879 -179.926 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.482 -0.247 . . . . 73.01 112.482 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.443 ' O ' HD12 ' A' ' 2' ' ' ILE . 1.1 pp -124.04 159.18 57.76 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.594 0.711 . . . . 73.25 111.157 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 0.19 6.03 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.628 2.219 . . . . 55.34 112.353 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 62.45 17.59 9.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 50.3 110.936 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.2 t -122.59 -8.32 8.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 63.01 110.896 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -92.25 -38.78 11.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 73.33 110.875 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.414 HG22 HD11 ' A' ' 73' ' ' ILE . 32.9 mt -63.99 -49.06 83.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 64.54 111.134 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -52.91 -47.83 67.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 71.33 110.917 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -62.46 -46.33 88.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 74.14 110.903 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.744 ' O ' HD12 ' A' ' 14' ' ' ILE . 0.3 OUTLIER -59.02 -63.41 1.31 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 74.54 110.851 -179.906 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.867 HG21 HD12 ' A' ' 73' ' ' ILE . 96.5 t -47.03 -41.28 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 62.25 111.091 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.565 ' O ' HG23 ' A' ' 16' ' ' VAL . 0.1 OUTLIER -65.27 -45.84 82.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 53.24 110.874 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 pttt -56.71 -32.86 65.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 74.21 110.878 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.744 HD12 ' O ' ' A' ' 10' ' ' ARG . 1.7 mp -72.49 -54.75 15.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 63.42 111.11 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.743 HD12 ' O ' ' A' ' 11' ' ' VAL . 3.2 mt -59.89 -27.62 38.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 74.14 111.13 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 12' ' ' LYS . 87.7 t -83.47 -32.83 9.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 75.31 111.164 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -83.19 -18.03 40.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.149 -0.478 . . . . 61.11 110.886 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 37.1 mm-40 -94.83 -51.52 4.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 70.31 110.932 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.59 HD21 ' OD1' ' A' ' 42' ' ' ASP . 58.2 mt -79.01 -61.86 1.88 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 74.24 110.882 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 127.22 -20.42 5.91 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.802 -0.713 . . . . 63.31 112.525 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.51 ' O ' HG13 ' A' ' 16' ' ' VAL . 19.2 m -62.31 -174.55 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.845 0.355 . . . . 74.2 111.119 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -98.44 140.65 32.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 63.24 110.875 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.611 ' O ' HG12 ' A' ' 26' ' ' VAL . 12.8 pt-20 -57.08 -24.11 51.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.436 . . . . 64.04 110.905 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.19 -24.36 37.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.11 -0.496 . . . . 64.12 111.113 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -80.44 -42.54 22.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 72.42 110.899 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.611 HG12 ' O ' ' A' ' 23' ' ' GLU . 10.2 p -51.56 147.98 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 72.43 111.081 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 60.3 mttt -119.5 131.89 55.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 64.34 110.907 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -63.19 -45.89 89.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 71.14 110.914 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -88.37 58.58 4.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 64.03 110.904 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.613 ' HB1' ' HB2' ' A' ' 35' ' ' ASP . . . -144.85 -179.7 6.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 70.4 111.123 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.751 ' HA ' HG22 ' A' ' 68' ' ' THR . 0.3 OUTLIER -118.04 160.7 21.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 62.12 110.878 -179.803 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.58 ' CE2' HD12 ' A' ' 46' ' ' LEU . 9.8 m-85 -75.73 -14.84 60.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 75.53 110.854 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.689 HG13 ' O ' ' A' ' 38' ' ' ALA . 5.4 t -120.88 2.3 6.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 74.3 111.16 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -107.48 -64.07 1.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 71.4 110.869 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.613 ' HB2' ' HB1' ' A' ' 30' ' ' ALA . 6.7 t0 -71.08 -45.61 63.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 43.2 110.84 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.56 HD23 ' HA ' ' A' ' 32' ' ' PHE . 0.8 OUTLIER -91.15 -27.14 18.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 73.03 110.935 -179.919 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.49 41.97 96.01 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.744 -0.741 . . . . 71.32 112.495 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.689 ' O ' HG13 ' A' ' 33' ' ' VAL . . . -89.39 174.83 7.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.795 0.331 . . . . 51.34 111.096 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -92.04 -175.82 4.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 71.34 110.84 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.4 m -61.15 -38.02 84.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 62.21 110.851 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.492 HD13 ' O ' ' A' ' 41' ' ' LEU . 0.3 OUTLIER -52.62 -34.31 50.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 72.34 110.943 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.59 ' OD1' HD21 ' A' ' 19' ' ' LEU . 29.3 t0 -64.86 -57.48 8.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 74.4 110.882 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.494 HG22 ' HD2' ' A' ' 32' ' ' PHE . 68.8 p -51.29 -52.83 41.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 70.45 111.134 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 60.9 t -57.62 -40.15 73.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 73.23 111.127 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -57.55 -46.54 83.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.142 -0.481 . . . . 72.02 110.872 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.58 HD12 ' CE2' ' A' ' 32' ' ' PHE . 27.8 mt -62.31 -48.39 80.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.204 -0.453 . . . . 72.1 110.936 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.602 HG13 HG21 ' A' ' 58' ' ' ILE . 87.7 t -51.29 -46.88 34.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 71.04 111.124 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 19.5 mtp -61.84 -49.55 75.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 71.13 110.933 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -53.71 -33.41 55.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 52.32 111.06 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 1.068 HD22 HG11 ' A' ' 76' ' ' VAL . 79.3 mt -71.38 -51.39 24.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 73.43 110.931 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -71.38 -8.78 56.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 64.33 110.882 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -98.42 -45.94 5.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 73.44 110.867 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -86.37 -53.68 4.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 63.1 110.897 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 -82.2 -3.72 55.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 70.21 110.87 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.8 t0 51.33 30.01 5.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.475 . . . . 73.2 110.889 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.0 t -80.64 141.72 34.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 52.43 111.135 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -80.49 90.75 5.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 73.13 110.945 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.602 HG21 HG13 ' A' ' 47' ' ' VAL . 46.6 mt -118.6 82.35 19.66 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.636 0.732 . . . . 73.54 111.153 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -170.5 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.693 2.262 . . . . 62.43 112.343 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -54.97 -51.77 65.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 62.44 110.916 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -53.48 -63.68 1.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 65.32 110.912 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -57.32 -23.38 48.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 74.14 110.915 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.14 -29.22 57.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 72.4 111.093 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -77.35 -32.92 55.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 60.41 110.909 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 52.5 pttt -81.08 -32.13 34.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 65.21 110.897 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 47.1 mm -91.23 83.58 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 72.54 111.126 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.1 t -123.21 19.39 9.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 63.43 111.069 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.751 HG22 ' HA ' ' A' ' 31' ' ' SER . 16.8 p -139.69 156.74 46.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 74.34 111.102 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 60.5 t -55.8 -61.47 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 75.2 111.177 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 10.8 tp60 -50.35 -42.29 52.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 72.53 110.92 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.71 -45.47 89.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 63.44 111.061 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.625 ' HB1' HD11 ' A' ' 50' ' ' LEU . . . -65.63 -56.02 14.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 73.44 111.115 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.867 HD12 HG21 ' A' ' 11' ' ' VAL . 1.4 tp -55.8 -34.72 37.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 75.03 111.128 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -70.91 -37.77 72.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 75.42 110.881 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -64.1 -59.15 4.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 73.21 110.88 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 1.068 HG11 HD22 ' A' ' 50' ' ' LEU . 18.7 m -58.79 -40.58 80.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 74.03 111.099 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -65.8 -30.98 71.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 72.55 110.855 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 30.7 t -84.8 -26.18 27.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 72.21 110.852 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 9.6 m80 -93.29 58.5 2.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 74.32 110.865 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 72.12 110.91 -179.949 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.494 -0.242 . . . . 34.23 112.494 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.429 HG22 ' H ' ' A' ' 4' ' ' LEU . 7.8 mt -125.12 131.09 24.01 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.672 0.749 . . . . 63.24 111.107 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 2.81 3.19 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.705 2.27 . . . . 72.34 112.313 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.429 ' H ' HG22 ' A' ' 2' ' ' ILE . 5.1 mt 67.82 20.9 9.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 72.45 110.923 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.7 t -116.38 -23.7 8.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 53.22 110.868 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -81.28 -43.59 18.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 54.42 110.864 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.509 ' O ' HG23 ' A' ' 11' ' ' VAL . 19.9 mt -52.4 -47.47 46.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 54.11 111.126 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -51.05 -46.61 61.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 74.12 110.876 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 47.5 tt0 -64.87 -44.63 89.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 53.43 110.933 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.758 ' O ' HD12 ' A' ' 14' ' ' ILE . 1.1 mtt180 -61.52 -60.54 3.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.128 -0.487 . . . . 74.33 110.894 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.848 HG21 HD12 ' A' ' 73' ' ' ILE . 44.1 t -48.88 -48.19 16.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 74.24 111.104 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.525 ' O ' HG23 ' A' ' 16' ' ' VAL . 0.2 OUTLIER -61.1 -43.72 98.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 75.44 110.917 179.9 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.4 ttpt -54.49 -41.63 69.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 73.02 110.888 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.758 HD12 ' O ' ' A' ' 10' ' ' ARG . 2.4 mp -66.66 -54.22 27.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 74.43 111.09 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.724 HD12 ' O ' ' A' ' 11' ' ' VAL . 3.5 mt -59.48 -29.51 42.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 65.14 111.146 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.572 HG22 ' O ' ' A' ' 21' ' ' VAL . 79.2 t -84.99 -25.22 6.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 73.5 111.151 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -89.75 -13.53 36.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 74.14 110.907 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.608 ' OE1' HD23 ' A' ' 46' ' ' LEU . 1.3 mt-30 -107.1 -56.39 2.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 74.14 110.897 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.731 HD21 ' OD1' ' A' ' 42' ' ' ASP . 39.4 mt -80.0 -28.7 39.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 71.32 110.912 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.67 -21.82 41.12 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.765 -0.731 . . . . 53.13 112.481 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.572 ' O ' HG22 ' A' ' 16' ' ' VAL . 17.4 m -53.95 162.82 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.769 0.319 . . . . 62.2 111.172 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -86.82 145.59 26.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.448 . . . . 72.12 110.865 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.515 ' O ' HG12 ' A' ' 26' ' ' VAL . 11.9 pt-20 -57.16 -23.62 48.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 70.14 110.862 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.19 -42.13 14.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 62.42 111.091 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -66.94 -39.82 87.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 71.45 110.825 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.515 HG12 ' O ' ' A' ' 23' ' ' GLU . 10.0 p -51.64 140.12 6.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 74.33 111.11 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -105.77 134.59 48.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 71.2 110.899 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -77.92 -34.82 51.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 63.05 110.845 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -93.24 42.31 1.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 72.54 110.874 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.619 ' HB1' ' CG ' ' A' ' 35' ' ' ASP . . . -137.26 157.78 45.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 64.53 111.088 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.403 ' CB ' HG22 ' A' ' 68' ' ' THR . 6.0 m -91.96 -171.7 2.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 63.34 110.84 -179.753 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.752 ' HA ' HD12 ' A' ' 36' ' ' LEU . 15.5 m-85 -99.67 -27.68 13.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 75.45 110.863 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.687 HG12 ' O ' ' A' ' 38' ' ' ALA . 12.6 m -120.67 -34.17 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 55.43 111.174 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.65 -25.1 61.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 64.3 110.89 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.619 ' CG ' ' HB1' ' A' ' 30' ' ' ALA . 24.2 t70 -114.24 -74.52 0.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 75.23 110.816 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.752 HD12 ' HA ' ' A' ' 32' ' ' PHE . 23.3 mt -51.89 -29.75 21.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 53.41 110.942 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 75.95 35.51 44.46 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.719 -0.753 . . . . 71.4 112.451 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.687 ' O ' HG12 ' A' ' 33' ' ' VAL . . . -87.1 -174.2 4.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.831 0.348 . . . . 71.24 111.083 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -104.62 171.55 7.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.429 . . . . 62.4 110.875 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.406 ' O ' HG23 ' A' ' 44' ' ' VAL . 29.0 t -54.68 -33.52 60.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 60.34 110.848 -179.755 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.54 HD13 ' O ' ' A' ' 41' ' ' LEU . 0.4 OUTLIER -58.5 -39.42 80.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 71.33 110.94 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.731 ' OD1' HD21 ' A' ' 19' ' ' LEU . 4.8 t0 -61.24 -56.96 14.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.158 -0.474 . . . . 62.54 110.889 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.61 HG22 ' HB2' ' A' ' 32' ' ' PHE . 74.9 p -50.8 -52.35 41.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.15 -0.477 . . . . 62.3 111.156 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.548 HG12 ' SD ' ' A' ' 48' ' ' MET . 72.5 t -56.79 -38.37 58.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.446 . . . . 74.32 111.1 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -60.69 -45.24 94.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 74.13 110.887 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.608 HD23 ' OE1' ' A' ' 18' ' ' GLN . 32.1 mt -66.85 -49.59 65.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 71.23 110.935 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 43' ' ' THR . 75.3 t -51.05 -42.78 25.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 64.52 111.14 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.548 ' SD ' HG12 ' A' ' 44' ' ' VAL . 5.2 mtp -70.08 -41.89 73.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 61.21 110.858 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.76 -26.36 67.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 75.33 111.071 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.725 HD11 ' HB1' ' A' ' 72' ' ' ALA . 81.1 mt -82.93 -51.08 7.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.251 -0.431 . . . . 71.21 110.905 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -68.48 -12.13 60.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 70.11 110.871 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -100.26 -49.16 4.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 73.32 110.92 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -76.82 -52.1 10.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 72.34 110.857 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.532 ' HB3' HG23 ' A' ' 56' ' ' THR . 30.6 m-85 -85.72 -0.69 55.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 74.32 110.912 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.0 t0 49.89 37.7 14.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.486 . . . . 75.41 110.838 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.871 HG21 HG12 ' A' ' 76' ' ' VAL . 44.8 p -88.53 129.32 35.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 71.12 111.155 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -69.98 84.17 0.5 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.225 -0.443 . . . . 73.4 110.905 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 49.4 mm -111.08 78.51 1.72 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.573 0.701 . . . . 74.51 111.125 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -170.92 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.709 2.273 . . . . 45.05 112.35 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -55.53 -42.88 75.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 73.54 110.86 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -58.44 -61.76 2.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 64.32 110.829 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.96 -14.58 60.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 72.31 110.87 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -80.38 -32.29 37.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 64.45 111.097 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.69 -18.02 58.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 72.21 110.887 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt -98.91 -35.26 10.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 63.41 110.913 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 40.8 mm -87.41 83.48 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 61.2 111.134 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 10.6 t -126.51 23.34 6.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 74.24 111.165 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.403 HG22 ' CB ' ' A' ' 31' ' ' SER . 19.8 p -144.96 160.29 41.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.201 -0.454 . . . . 63.2 111.106 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 48.8 t -60.45 -60.64 2.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 61.3 111.111 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -50.57 -37.5 40.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 71.03 110.899 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.82 -49.91 59.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 73.03 111.111 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.725 ' HB1' HD11 ' A' ' 50' ' ' LEU . . . -62.11 -53.09 60.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 61.23 111.119 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.848 HD12 HG21 ' A' ' 11' ' ' VAL . 1.4 tp -58.46 -35.91 56.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 74.35 111.152 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -67.56 -37.28 82.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 52.34 110.87 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -67.46 -65.21 0.72 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 74.12 110.918 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.871 HG12 HG21 ' A' ' 56' ' ' THR . 21.4 m -50.94 -39.93 19.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.106 -0.497 . . . . 74.34 111.199 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 32.7 t-20 -65.31 -42.43 93.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 72.41 110.913 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 46.9 t -73.11 -22.77 60.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 70.42 110.848 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 11.0 m80 -110.24 67.73 0.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 73.23 110.848 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 6.7 mp0 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 63.45 110.895 -179.921 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.467 -0.253 . . . . 64.54 112.467 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.444 HG23 ' HD2' ' A' ' 3' ' ' PRO . 5.1 mp -102.58 133.07 20.69 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.662 0.744 . . . . 71.4 111.134 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.444 ' HD2' HG23 ' A' ' 2' ' ' ILE . 53.6 Cg_endo -69.78 178.26 4.76 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.659 2.24 . . . . 73.21 112.352 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -96.88 28.4 3.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 73.12 110.909 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.2 m -130.53 -50.73 1.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 65.22 110.889 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -50.21 -36.52 31.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.078 -0.51 . . . . 63.3 110.878 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.655 ' O ' HG23 ' A' ' 11' ' ' VAL . 69.6 mt -71.49 -47.2 59.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 71.23 111.119 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -59.43 -47.25 86.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 71.14 110.894 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -63.82 -39.15 93.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 72.43 110.853 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.592 ' O ' HD12 ' A' ' 14' ' ' ILE . 9.5 mtp180 -67.59 -57.7 5.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 65.32 110.907 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 7' ' ' ILE . 62.1 t -49.39 -60.82 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 71.44 111.177 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.648 ' O ' HG23 ' A' ' 16' ' ' VAL . 41.2 mmtm -50.22 -47.4 54.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 74.11 110.905 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.0 ttpt -49.2 -58.04 5.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 64.12 110.882 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.755 HG22 ' NE2' ' A' ' 18' ' ' GLN . 3.3 mt -52.56 -56.94 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 55.52 111.064 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.596 HG13 HD22 ' A' ' 46' ' ' LEU . 2.0 mp -53.39 -33.11 20.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 73.55 111.148 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 12' ' ' LYS . 74.7 t -75.29 -27.11 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 61.43 111.111 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -80.15 -27.15 39.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 73.3 110.908 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.755 ' NE2' HG22 ' A' ' 14' ' ' ILE . 3.3 mt-30 -83.33 -60.49 2.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 75.24 110.895 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 58.8 mt -70.34 -28.68 65.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 63.13 110.885 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.89 15.17 76.02 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.792 -0.718 . . . . 64.31 112.475 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.404 ' O ' HG13 ' A' ' 16' ' ' VAL . 32.7 m -90.93 -179.94 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.802 0.334 . . . . 73.31 111.109 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -77.87 128.48 34.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 72.53 110.886 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -52.44 -29.4 24.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 63.24 110.877 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.63 -43.76 88.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 75.51 111.091 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -58.26 -51.75 68.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 55.14 110.906 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 56.4 t -51.7 106.13 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 75.23 111.157 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 48.1 mttp -95.93 143.1 27.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 72.53 110.907 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -63.14 -29.11 70.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 64.21 110.918 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -98.29 29.32 3.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 74.45 110.885 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.35 141.59 48.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 75.44 111.111 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.703 ' CB ' HG22 ' A' ' 68' ' ' THR . 8.8 t -90.1 167.29 12.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 74.11 110.898 -179.77 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.639 ' HB2' HG22 ' A' ' 43' ' ' THR . 6.8 m-85 -84.56 -29.27 26.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 74.43 110.909 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 5.5 m -121.38 -32.36 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 74.31 111.097 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -72.51 -27.44 62.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 72.31 110.86 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -113.87 -74.59 0.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 72.43 110.888 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.529 HD12 ' HA ' ' A' ' 32' ' ' PHE . 21.2 mt -55.5 -26.88 45.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 74.45 110.925 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.24 48.19 54.06 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.703 -0.761 . . . . 51.4 112.503 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -82.36 -80.72 0.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.758 0.313 . . . . 61.13 111.078 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 178.98 179.83 0.39 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 75.22 110.857 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 41.8 m -71.3 -42.41 68.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 72.11 110.849 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.7 tp -53.64 -32.73 52.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.13 -0.486 . . . . 71.21 110.896 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -65.87 -56.2 13.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 73.34 110.857 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.639 HG22 ' HB2' ' A' ' 32' ' ' PHE . 81.2 p -51.56 -55.25 20.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 74.23 111.164 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.544 HG22 ' SD ' ' A' ' 48' ' ' MET . 7.2 p -57.46 -36.87 54.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 62.22 111.165 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -59.15 -45.19 91.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 71.21 110.849 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.596 HD22 HG13 ' A' ' 15' ' ' ILE . 25.3 mt -64.59 -50.29 67.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 71.34 110.948 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.512 HG13 ' CG2' ' A' ' 58' ' ' ILE . 93.2 t -50.59 -44.12 24.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 72.1 111.126 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.544 ' SD ' HG22 ' A' ' 44' ' ' VAL . 35.5 mtp -67.4 -41.1 85.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 54.51 110.861 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.731 ' HB1' HG21 ' A' ' 14' ' ' ILE . . . -58.92 -30.44 67.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.273 -0.422 . . . . 44.13 111.109 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.726 HD22 HG21 ' A' ' 76' ' ' VAL . 89.1 mt -78.75 -58.02 3.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 74.1 110.928 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.497 ' HB3' HD12 ' A' ' 58' ' ' ILE . 0.2 OUTLIER -59.58 -19.17 46.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 62.41 110.888 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 78.7 tt0 -92.59 -60.59 1.79 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 61.22 110.899 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -63.95 -58.48 6.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.482 . . . . 63.33 110.879 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -75.36 -6.49 50.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 75.02 110.908 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.1 t0 61.61 26.77 16.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.09 -0.505 . . . . 74.2 110.86 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -78.93 174.5 11.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 62.32 111.101 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -117.76 88.42 2.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 72.4 110.884 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.512 ' CG2' HG13 ' A' ' 47' ' ' VAL . 3.0 mp -117.44 77.38 10.29 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.605 0.717 . . . . 54.02 111.085 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -169.56 0.33 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.681 2.254 . . . . 71.23 112.341 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -52.96 -48.27 67.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 72.01 110.862 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -54.43 -68.33 0.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 70.5 110.883 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.406 ' HB3' HG23 ' A' ' 58' ' ' ILE . 0.5 OUTLIER -51.91 -37.88 54.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 75.11 110.876 -179.913 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.09 -47.13 72.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 60.14 111.1 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -55.07 -25.73 32.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 64.22 110.865 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.3 mtpt -81.14 -46.16 15.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 62.1 110.884 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 30.6 mm -75.67 96.25 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.223 -0.444 . . . . 72.34 111.147 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 54.1 p -117.3 -22.04 8.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 72.24 111.152 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.703 HG22 ' CB ' ' A' ' 31' ' ' SER . 17.7 p -124.93 -177.27 3.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 74.43 111.099 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 42.9 t -70.47 -49.25 54.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 74.5 111.123 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.8 -45.83 64.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 75.33 110.882 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.8 -43.98 97.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 74.03 111.119 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.417 ' HB1' HD11 ' A' ' 50' ' ' LEU . . . -67.12 -60.17 2.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 71.13 111.083 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 5.6 tp -51.25 -31.15 11.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 75.41 111.178 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -72.08 -52.25 17.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 75.11 110.86 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -52.36 -55.56 20.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 75.22 110.922 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.726 HG21 HD22 ' A' ' 50' ' ' LEU . 80.7 t -59.58 -50.83 78.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 63.44 111.147 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -56.55 -26.61 55.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 64.03 110.905 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 9.3 t -88.13 -30.24 19.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 73.22 110.84 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 10.9 m80 -90.08 55.62 3.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 63.01 110.859 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 39.9 mm-40 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 64.01 110.914 -179.904 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.533 -0.227 . . . . 63.24 112.533 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 24.2 mm 64.88 132.42 0.03 OUTLIER Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.619 0.723 . . . . 74.33 111.114 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -178.25 2.25 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.649 2.233 . . . . 71.42 112.367 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -96.0 34.71 1.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 64.13 110.887 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 m -129.86 -39.82 1.39 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 75.14 110.87 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -65.66 -54.15 31.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 73.31 110.892 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.532 HG23 ' CZ ' ' A' ' 54' ' ' PHE . 13.5 mt -51.2 -36.58 16.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 72.45 111.185 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -60.55 -55.83 28.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.101 -0.5 . . . . 73.12 110.9 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -60.31 -38.29 83.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 72.31 110.857 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.754 ' O ' HD12 ' A' ' 14' ' ' ILE . 0.0 OUTLIER -65.77 -64.47 0.85 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 71.3 110.836 -179.879 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -49.73 -31.44 6.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 74.42 111.165 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.596 ' O ' HG23 ' A' ' 16' ' ' VAL . 0.2 OUTLIER -69.19 -49.65 54.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 73.51 110.902 179.899 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt -56.09 -44.87 79.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 55.12 110.922 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.754 HD12 ' O ' ' A' ' 10' ' ' ARG . 2.6 mp -61.04 -58.93 5.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 72.25 111.157 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 29.4 mt -51.75 -31.18 12.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 74.32 111.126 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.692 HG13 ' O ' ' A' ' 21' ' ' VAL . 83.3 t -81.33 -31.29 11.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 75.13 111.109 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -81.9 -16.45 50.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 74.32 110.838 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -96.33 -39.6 9.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 74.33 110.872 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.504 HD13 HD13 ' A' ' 36' ' ' LEU . 73.7 mt -90.34 -27.83 19.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 74.34 110.879 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.4 19.12 79.92 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.736 -0.745 . . . . 45.52 112.473 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.692 ' O ' HG13 ' A' ' 16' ' ' VAL . 19.9 m -102.25 -178.88 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.823 0.344 . . . . 73.22 111.156 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -79.55 131.9 36.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 64.2 110.869 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.466 ' HB3' HG21 ' A' ' 16' ' ' VAL . 12.6 pt-20 -54.15 -28.19 38.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 75.23 110.897 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.02 -44.11 81.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 43.3 111.117 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -60.72 -29.97 69.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 75.41 110.889 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 96.1 t -59.22 101.05 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 54.11 111.139 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 44.0 mmtt -90.13 128.03 36.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 73.25 110.882 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -54.83 -42.81 72.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 72.11 110.87 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -91.42 59.2 3.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 73.53 110.887 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -153.81 141.08 19.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 73.23 111.076 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.604 ' CB ' HG22 ' A' ' 68' ' ' THR . 0.8 OUTLIER -83.99 161.77 20.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 72.22 110.837 -179.784 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.753 ' HA ' HD12 ' A' ' 36' ' ' LEU . 12.9 m-85 -69.67 -23.23 63.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.484 . . . . 74.43 110.885 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 46.8 t -127.94 -48.43 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 45.2 111.148 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -52.09 -30.3 25.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.478 . . . . 63.3 110.869 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -112.15 -71.74 0.74 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 73.12 110.848 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.753 HD12 ' HA ' ' A' ' 32' ' ' PHE . 38.5 mt -51.5 -47.73 63.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 73.24 110.921 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 98.36 20.45 20.11 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.717 -0.754 . . . . 65.22 112.489 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.566 ' HB1' ' CG ' ' A' ' 42' ' ' ASP . . . -67.98 -169.31 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.74 0.305 . . . . 53.22 111.115 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -111.82 169.93 8.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 71.53 110.825 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -53.08 -43.07 66.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 74.14 110.835 -179.774 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.2 tp -53.27 -34.47 57.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.132 -0.485 . . . . 74.31 110.906 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.566 ' CG ' ' HB1' ' A' ' 38' ' ' ALA . 2.1 m-20 -64.35 -57.51 9.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 70.53 110.904 179.818 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.525 HG22 ' HB2' ' A' ' 32' ' ' PHE . 74.4 p -51.59 -56.33 14.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 45.41 111.122 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 46.8 t -54.38 -40.17 47.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 53.05 111.12 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -57.38 -49.53 75.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 64.33 110.872 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.554 HD12 ' CE2' ' A' ' 32' ' ' PHE . 30.7 mt -58.98 -49.79 76.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.478 . . . . 74.21 110.896 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 95.0 t -50.24 -48.58 24.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 71.11 111.154 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 15.7 mtp -58.8 -48.28 81.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.467 . . . . 73.35 110.89 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.77 -29.87 65.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 65.25 111.134 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.551 HD22 HG11 ' A' ' 76' ' ' VAL . 96.4 mt -73.35 -42.64 61.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 31.31 110.936 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -80.77 -9.22 59.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 74.42 110.934 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -104.37 -24.77 13.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.487 . . . . 73.44 110.876 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -106.25 -46.03 4.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 75.14 110.895 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.532 ' CZ ' HG23 ' A' ' 7' ' ' ILE . 31.7 m-85 -96.95 0.87 49.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 72.54 110.862 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 50.55 34.28 9.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 75.03 110.851 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' THR . . . . . 1.04 HG21 HG12 ' A' ' 76' ' ' VAL . 30.2 p -86.34 119.74 26.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 71.42 111.13 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 20.5 mp0 -69.27 85.12 0.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 74.55 110.907 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 53.6 mt -109.2 85.45 3.41 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.624 0.726 . . . . 73.31 111.098 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 179.57 3.62 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.696 2.264 . . . . 43.45 112.302 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -54.58 -42.61 71.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 63.03 110.865 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -56.63 -57.89 10.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 61.04 110.896 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -74.68 -5.73 44.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 62.41 110.91 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -83.66 -35.45 24.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.483 . . . . 75.3 111.104 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -70.73 -23.57 62.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 74.43 110.924 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -90.74 -33.64 15.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 73.41 110.851 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 46.0 mm -90.41 85.12 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 74.11 111.136 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 64.0 p -131.4 22.69 4.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 54.44 111.129 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.604 HG22 ' CB ' ' A' ' 31' ' ' SER . 12.3 p -140.55 158.12 44.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 64.44 111.146 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 37.4 t -55.31 -61.83 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.23 -0.441 . . . . 72.43 111.106 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -51.49 -44.37 62.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 75.55 110.906 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.9 -42.99 99.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 73.32 111.074 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.31 -59.0 3.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 63.43 111.097 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 3.4 tp -52.19 -33.57 16.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.28 -0.418 . . . . 72.23 111.095 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -70.97 -46.17 62.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 65.42 110.85 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -55.96 -56.35 21.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.456 . . . . 75.11 110.945 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 1.04 HG12 HG21 ' A' ' 56' ' ' THR . 22.7 m -61.59 -38.85 81.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 71.23 111.144 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -68.04 -23.65 65.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 72.32 110.886 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 43.2 t -91.78 -31.1 15.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 53.32 110.847 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 18.0 m80 -93.89 52.56 1.67 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 73.34 110.851 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 55.22 110.948 -179.95 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.446 -0.262 . . . . 54.33 112.446 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.449 HG22 ' H ' ' A' ' 4' ' ' LEU . 19.2 mm 65.52 131.98 0.03 OUTLIER Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.666 0.746 . . . . 73.21 111.11 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 6.77 1.2 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.692 2.261 . . . . 74.22 112.309 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.449 ' H ' HG22 ' A' ' 2' ' ' ILE . 0.7 OUTLIER 62.17 18.7 10.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 60.21 110.92 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.2 m -118.63 -11.61 9.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 63.21 110.893 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -92.08 -52.7 4.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 74.3 110.873 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.528 ' O ' HG23 ' A' ' 11' ' ' VAL . 49.7 mt -57.74 -34.65 48.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 72.1 111.158 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -60.98 -56.54 19.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 73.24 110.911 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -64.63 -34.96 79.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 73.44 110.92 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.665 ' O ' HD12 ' A' ' 14' ' ' ILE . 3.1 mtp180 -67.49 -63.84 0.98 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 73.12 110.897 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.746 ' O ' HD12 ' A' ' 15' ' ' ILE . 98.0 t -50.93 -57.68 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 71.11 111.124 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.645 ' O ' HG23 ' A' ' 16' ' ' VAL . 24.4 mmtp -51.26 -49.01 62.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.47 . . . . 71.12 110.895 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.8 ttmt -48.83 -57.63 6.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 72.44 110.93 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.665 HD12 ' O ' ' A' ' 10' ' ' ARG . 3.3 mt -50.73 -57.76 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 63.45 111.18 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.746 HD12 ' O ' ' A' ' 11' ' ' VAL . 3.0 mt -54.01 -29.65 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 74.03 111.164 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 12' ' ' LYS . 73.5 t -80.3 -27.07 11.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 55.45 111.106 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -91.6 -9.72 43.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 71.43 110.892 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -104.35 -61.64 1.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 72.34 110.896 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.6 mp -72.84 -45.95 55.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 73.44 110.931 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 117.68 -32.08 5.49 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.727 -0.749 . . . . 63.52 112.477 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.4 ' O ' HG13 ' A' ' 16' ' ' VAL . 34.2 m -51.44 161.51 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.834 0.35 . . . . 34.42 111.138 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -83.81 146.33 28.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 65.01 110.863 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.477 ' HB3' HG21 ' A' ' 16' ' ' VAL . 7.7 pt-20 -62.61 -17.67 60.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 63.34 110.874 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -88.1 -60.65 1.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 25.0 111.061 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -51.93 -39.05 58.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 62.55 110.867 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.461 HG12 ' O ' ' A' ' 23' ' ' GLU . 8.6 p -51.93 150.44 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 75.03 111.134 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? -116.92 136.18 53.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 71.42 110.875 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -70.23 -38.14 75.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 62.31 110.897 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -90.56 46.89 1.37 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 62.24 110.869 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -139.66 157.33 45.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 64.31 111.09 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.468 ' OG ' HG22 ' A' ' 68' ' ' THR . 10.6 t -92.88 -175.52 3.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 73.2 110.892 -179.806 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.799 ' HA ' HD12 ' A' ' 36' ' ' LEU . 16.0 m-85 -96.54 -35.76 10.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 70.33 110.918 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.711 HG23 ' O ' ' A' ' 38' ' ' ALA . 8.0 p -121.04 -34.58 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 44.04 111.092 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -66.6 -23.38 66.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 70.43 110.874 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -117.6 -74.61 0.6 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 74.02 110.841 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.799 HD12 ' HA ' ' A' ' 32' ' ' PHE . 10.3 mt -51.58 -37.31 49.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 42.53 110.932 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 89.33 27.0 24.11 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.765 -0.731 . . . . 71.3 112.507 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.711 ' O ' HG23 ' A' ' 33' ' ' VAL . . . -69.01 -169.13 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.79 0.329 . . . . 60.44 111.111 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -106.08 -176.75 3.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.269 -0.423 . . . . 74.22 110.832 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.9 m -67.31 -48.55 67.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 74.23 110.886 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.18 -33.2 51.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.082 -0.508 . . . . 43.44 110.891 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.15 -63.25 1.37 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 74.24 110.87 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.753 HG22 ' HB2' ' A' ' 32' ' ' PHE . 50.6 p -51.55 -50.76 59.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 51.54 111.133 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 63.5 t -59.76 -35.92 62.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 73.11 111.129 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -63.04 -41.73 99.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 63.21 110.908 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.482 HD12 ' CE2' ' A' ' 32' ' ' PHE . 36.2 mt -66.35 -46.32 77.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 75.24 110.922 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.588 HG13 HG21 ' A' ' 58' ' ' ILE . 84.8 t -55.59 -56.54 11.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 72.03 111.117 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 26.6 ptm -58.83 -36.7 74.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 73.43 110.891 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.8 -40.5 88.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 60.14 111.105 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 41.0 mt -68.85 -59.62 2.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 60.34 110.894 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -56.24 -21.42 23.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 73.13 110.872 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -87.24 -62.75 1.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 75.35 110.901 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.26 -62.03 1.97 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 74.21 110.87 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -66.32 -13.83 61.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 73.1 110.887 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.5 t70 61.2 38.21 16.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 72.35 110.853 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.6 p -93.68 164.89 12.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.455 . . . . 72.11 111.143 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -96.75 83.85 3.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 54.11 110.932 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.588 HG21 HG13 ' A' ' 47' ' ' VAL . 51.7 mm -111.52 79.25 2.25 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.631 0.729 . . . . 73.21 111.154 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -170.48 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.705 2.27 . . . . 54.13 112.339 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -53.63 -50.51 65.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 74.32 110.853 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -52.12 -67.33 0.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 75.02 110.881 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -55.48 -26.02 40.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 71.23 110.86 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.81 -27.01 60.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 73.34 111.094 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -79.63 -35.02 40.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 74.33 110.842 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 10.9 ptmm? -79.91 -31.96 40.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 65.33 110.903 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 41.4 mm -91.17 86.4 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 73.44 111.12 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 10.1 t -126.27 12.74 7.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.203 -0.453 . . . . 74.24 111.12 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.468 HG22 ' OG ' ' A' ' 31' ' ' SER . 20.0 p -139.48 156.44 46.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 62.21 111.151 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 57.8 t -54.92 -59.52 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 64.22 111.144 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -51.15 -39.78 57.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 73.23 110.911 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.79 -46.33 79.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 71.01 111.104 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.87 -53.74 41.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 72.51 111.114 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 2.1 tp -57.45 -33.7 44.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 71.1 111.104 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -68.98 -43.75 74.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 62.12 110.839 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -61.03 -60.64 3.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 73.53 110.938 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 77.4 t -52.83 -48.69 49.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 74.51 111.156 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -65.33 -24.96 67.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 72.13 110.914 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.3 t -78.29 -44.19 26.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 74.4 110.81 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 3.3 m80 -82.84 56.72 3.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 72.42 110.84 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 75.41 110.956 -179.985 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.479 -0.248 . . . . 60.24 112.479 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.444 HG23 ' HD2' ' A' ' 3' ' ' PRO . 5.2 mp -105.43 133.09 20.34 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.589 0.709 . . . . 65.0 111.135 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.444 ' HD2' HG23 ' A' ' 2' ' ' ILE . 53.7 Cg_endo -69.78 173.52 10.86 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.667 2.244 . . . . 70.4 112.38 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.6 mt -95.85 26.62 3.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 64.22 110.889 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.6 t -115.69 -20.79 9.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 43.54 110.878 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -91.89 -40.27 11.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 74.12 110.924 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.66 ' O ' HG23 ' A' ' 11' ' ' VAL . 78.7 mt -61.79 -40.43 86.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 73.5 111.133 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.32 -47.11 79.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 75.24 110.886 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -66.43 -38.68 87.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 63.04 110.875 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.0 mmm-85 -66.41 -60.1 3.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 65.43 110.865 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.745 ' O ' HD12 ' A' ' 15' ' ' ILE . 32.1 t -50.72 -59.85 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 61.31 111.144 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.641 ' O ' HG23 ' A' ' 16' ' ' VAL . 36.8 mmtm -50.75 -46.75 59.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 54.11 110.917 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.6 ttpp -50.8 -48.33 59.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 75.54 110.925 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mp -60.2 -57.54 11.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 74.44 111.122 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.745 HD12 ' O ' ' A' ' 11' ' ' VAL . 2.6 mp -51.66 -33.95 15.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 73.23 111.143 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 12' ' ' LYS . 89.9 t -77.42 -38.86 27.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.174 -0.466 . . . . 72.44 111.131 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -71.91 -24.2 61.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 74.3 110.91 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 -84.63 -46.66 11.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 72.23 110.917 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -85.43 -65.39 1.02 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 71.0 110.918 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 127.17 -17.33 6.27 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.746 -0.74 . . . . 61.31 112.463 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.632 ' O ' HG13 ' A' ' 16' ' ' VAL . 23.0 m -66.17 -176.64 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.807 0.337 . . . . 73.42 111.139 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -91.65 132.64 36.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 55.15 110.861 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.616 ' HB3' HG21 ' A' ' 16' ' ' VAL . 1.6 pp20? -55.97 -26.4 48.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 65.3 110.892 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.89 -52.63 41.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 51.1 111.082 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -54.79 -26.86 37.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 62.2 110.875 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.474 HG22 HD11 ' A' ' 36' ' ' LEU . 65.7 t -82.54 116.74 27.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 65.22 111.166 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.587 ' O ' HG21 ' A' ' 69' ' ' VAL . 28.3 mtmm -97.04 175.55 6.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 73.32 110.931 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -77.95 -30.14 50.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 75.43 110.858 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -103.43 47.98 0.87 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 52.42 110.849 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.46 ' HB1' ' CG ' ' A' ' 35' ' ' ASP . . . -111.8 167.16 10.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 65.43 111.119 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.522 ' HA ' HG22 ' A' ' 68' ' ' THR . 3.5 m -105.38 161.24 14.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 63.13 110.889 -179.806 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.794 ' CE2' HD12 ' A' ' 46' ' ' LEU . 3.4 m-30 -87.45 8.36 25.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 75.51 110.87 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.657 HG13 ' O ' ' A' ' 38' ' ' ALA . 96.9 t -149.59 -41.2 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 73.51 111.129 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -70.38 -42.12 72.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 73.31 110.887 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.46 ' CG ' ' HB1' ' A' ' 30' ' ' ALA . 0.6 OUTLIER -81.71 -67.5 0.78 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.482 . . . . 72.31 110.904 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.474 HD11 HG22 ' A' ' 26' ' ' VAL . 2.5 mm? -63.27 -69.63 0.26 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 61.44 110.903 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 136.24 -5.59 3.91 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.778 -0.725 . . . . 74.1 112.477 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.657 ' O ' HG13 ' A' ' 33' ' ' VAL . . . -60.23 -169.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.751 0.31 . . . . 74.31 111.113 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -133.41 -78.43 0.48 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 54.34 110.884 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 43.2 t -133.19 -40.83 0.9 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 72.34 110.893 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.9 mt -51.17 -32.72 24.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.085 -0.507 . . . . 52.12 110.923 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -68.92 -58.33 4.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 72.25 110.916 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.688 ' O ' HG23 ' A' ' 47' ' ' VAL . 68.1 p -47.35 -52.51 16.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 64.25 111.146 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.2 p -62.83 -36.76 76.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 63.12 111.168 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.8 -56.1 23.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.134 -0.485 . . . . 61.13 110.932 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.794 HD12 ' CE2' ' A' ' 32' ' ' PHE . 9.6 mt -55.37 -46.74 76.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 61.15 110.895 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.688 HG23 ' O ' ' A' ' 43' ' ' THR . 81.9 t -51.49 -57.6 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 70.42 111.111 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.19 -45.53 65.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 63.22 110.939 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.75 -35.26 70.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 71.43 111.062 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.595 HD22 HG21 ' A' ' 76' ' ' VAL . 86.8 mt -72.5 -59.54 2.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 64.15 110.915 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.695 ' HB3' HD12 ' A' ' 58' ' ' ILE . 10.5 pt-20 -56.98 -20.53 24.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 62.54 110.897 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -87.3 -61.23 1.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 74.42 110.879 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -65.95 -61.73 1.89 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 63.33 110.896 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -66.77 -13.3 61.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 72.21 110.9 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.0 t70 63.84 34.24 12.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.122 -0.49 . . . . 73.24 110.829 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.5 HG22 ' HB3' ' A' ' 79' ' ' HIS . 2.3 p -90.73 176.36 6.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 73.43 111.114 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 67.8 mt-10 -118.07 86.5 2.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.453 . . . . 64.41 110.848 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.695 HD12 ' HB3' ' A' ' 51' ' ' GLU . 2.0 mp -109.65 84.25 3.12 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.671 0.748 . . . . 70.54 111.133 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.408 ' O ' ' HB2' ' A' ' 63' ' ' ALA . 53.0 Cg_endo -69.76 -170.16 0.37 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.741 2.294 . . . . 72.55 112.298 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -66.85 -47.94 70.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.448 . . . . 73.42 110.844 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -54.3 -46.64 72.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 71.3 110.892 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -78.08 -22.84 48.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 64.22 110.879 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.408 ' HB2' ' O ' ' A' ' 59' ' ' PRO . . . -65.97 -41.09 91.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 71.4 111.107 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.94 -22.4 48.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 60.13 110.88 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.8 mtpt -81.58 -31.71 32.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 71.23 110.917 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 45.6 mm -84.85 94.46 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 71.05 111.153 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 44.4 p -139.75 13.58 2.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 61.24 111.128 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.522 HG22 ' HA ' ' A' ' 31' ' ' SER . 40.2 p -151.79 155.08 37.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 54.54 111.161 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.587 HG21 ' O ' ' A' ' 27' ' ' LYS . 35.6 t -51.56 -59.89 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 55.23 111.167 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -51.59 -45.07 63.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 73.04 110.922 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.35 -44.47 97.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 63.33 111.11 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.57 -59.45 3.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 70.34 111.108 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.488 HD12 HG21 ' A' ' 11' ' ' VAL . 6.0 tp -51.71 -30.95 12.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 51.04 111.112 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -70.73 -53.25 16.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 73.32 110.884 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -52.66 -55.55 21.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 74.43 110.912 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.595 HG21 HD22 ' A' ' 50' ' ' LEU . 44.3 t -58.13 -48.95 83.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 71.15 111.156 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -58.55 -32.02 68.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 63.31 110.837 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 28.1 t -81.85 -28.24 33.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 73.02 110.866 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.5 ' HB3' HG22 ' A' ' 56' ' ' THR . 22.6 m80 -97.22 57.0 1.41 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 73.42 110.889 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 41.1 mm-40 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 74.32 110.943 -179.939 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.516 -0.234 . . . . 41.43 112.516 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.424 HG23 ' HD2' ' A' ' 3' ' ' PRO . 60.6 mt -64.69 133.04 95.59 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.597 0.713 . . . . 72.23 111.113 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.424 ' HD2' HG23 ' A' ' 2' ' ' ILE . 54.3 Cg_endo -69.68 177.32 5.63 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.686 2.257 . . . . 74.1 112.373 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -95.91 31.87 2.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 65.45 110.916 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.2 p -126.79 -45.33 1.61 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 73.3 110.83 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -52.92 -60.26 3.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 60.14 110.903 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.648 ' O ' HG22 ' A' ' 11' ' ' VAL . 9.2 mt -55.36 -40.42 57.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 75.14 111.143 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 75.7 tt0 -51.88 -55.84 17.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 64.11 110.886 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -65.75 -25.96 67.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 75.32 110.933 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.72 ' O ' HD12 ' A' ' 14' ' ' ILE . 6.4 mtp180 -72.04 -66.58 0.62 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 62.15 110.909 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.712 HG23 ' HD3' ' A' ' 12' ' ' LYS . 14.2 m -50.38 -42.69 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 74.01 111.108 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.712 ' HD3' HG23 ' A' ' 11' ' ' VAL . 1.1 mptp? -62.18 -51.19 68.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 74.13 110.891 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.5 ttmt -50.08 -46.27 53.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 74.34 110.852 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.72 HD12 ' O ' ' A' ' 10' ' ' ARG . 3.0 mt -61.54 -63.16 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 75.43 111.109 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.637 HD12 ' O ' ' A' ' 11' ' ' VAL . 5.7 mt -50.03 -31.6 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 70.32 111.146 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.713 HG13 ' O ' ' A' ' 21' ' ' VAL . 74.0 t -77.81 -36.04 21.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 64.15 111.143 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -75.52 -29.18 59.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 75.5 110.859 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 36.8 mm-40 -79.56 -53.68 6.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 75.43 110.94 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -73.08 -62.59 1.41 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 73.5 110.905 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 116.84 16.14 6.47 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.739 -0.743 . . . . 71.15 112.509 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.713 ' O ' HG13 ' A' ' 16' ' ' VAL . 24.5 m -97.2 175.04 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.838 0.351 . . . . 64.44 111.148 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -77.91 127.82 32.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.467 . . . . 75.33 110.886 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.545 ' HB3' HG21 ' A' ' 16' ' ' VAL . 12.4 pt-20 -51.9 -31.82 29.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 60.41 110.929 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.3 -39.82 91.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 51.54 111.126 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -61.66 -50.03 74.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 75.5 110.936 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.8 t -59.82 113.76 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 75.0 111.134 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.8 mtmm -112.06 168.33 9.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 74.13 110.891 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -68.48 -20.61 64.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 72.53 110.866 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -99.98 21.21 13.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 44.03 110.887 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.459 ' HB3' HG21 ' A' ' 69' ' ' VAL . . . -100.11 157.11 16.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 61.45 111.129 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.634 ' HA ' HG22 ' A' ' 68' ' ' THR . 22.7 t -102.71 173.98 6.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 73.21 110.846 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.443 ' CE2' HD12 ' A' ' 46' ' ' LEU . 3.5 m-30 -89.91 -27.45 19.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 74.14 110.908 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.614 HG13 ' O ' ' A' ' 38' ' ' ALA . 95.0 t -126.15 -45.11 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.13 -0.486 . . . . 64.21 111.137 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.97 -33.31 62.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 52.42 110.884 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -108.04 -66.43 1.04 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 72.04 110.903 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.501 HD13 ' O ' ' A' ' 31' ' ' SER . 7.5 mp -52.08 -54.21 33.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 75.1 110.908 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 112.15 15.13 10.1 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.736 -0.745 . . . . 31.23 112.483 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.614 ' O ' HG13 ' A' ' 33' ' ' VAL . . . -57.25 172.8 0.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.773 0.321 . . . . 52.15 111.111 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -136.28 -76.52 0.43 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 74.55 110.877 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.597 ' O ' HG22 ' A' ' 44' ' ' VAL . 1.3 m -138.63 -48.46 0.52 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 65.41 110.857 -179.78 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.1 mt -68.83 -32.84 72.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 74.01 110.909 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.427 ' HB2' ' HB1' ' A' ' 38' ' ' ALA . 5.7 m-20 -68.41 -52.71 29.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 63.44 110.8 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -57.48 -55.51 33.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 71.12 111.129 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.597 HG22 ' O ' ' A' ' 40' ' ' SER . 35.0 m -57.99 -35.56 52.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 63.33 111.126 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -61.22 -46.12 91.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 73.22 110.865 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.443 HD12 ' CE2' ' A' ' 32' ' ' PHE . 49.5 mt -62.57 -48.62 78.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 73.24 110.877 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.559 HG13 ' CG2' ' A' ' 58' ' ' ILE . 98.4 t -51.83 -49.01 38.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 64.02 111.126 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 31.7 mtp -60.59 -47.07 87.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 65.42 110.888 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.85 -33.74 62.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 65.43 111.155 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 80.1 mt -70.92 -54.64 10.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 73.35 110.893 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -65.55 -13.22 58.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 75.44 110.848 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -94.1 -51.97 4.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 75.44 110.929 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -76.66 -56.76 4.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 75.1 110.894 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -75.81 -6.09 49.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 54.14 110.866 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 53.81 27.6 7.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 61.33 110.87 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.1 t -87.08 169.86 12.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 51.42 111.167 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 48.3 mm-40 -105.19 112.44 25.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 75.12 110.887 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.559 ' CG2' HG13 ' A' ' 47' ' ' VAL . 61.2 mt -135.74 84.07 33.81 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.605 0.717 . . . . 71.41 111.092 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -173.53 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.688 2.259 . . . . 63.3 112.342 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -53.15 -50.7 64.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 61.11 110.844 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -52.38 -63.63 1.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 72.24 110.901 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -60.93 -18.33 56.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 73.53 110.931 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -81.77 -24.14 36.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 72.0 111.125 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -84.04 -26.32 29.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 62.1 110.933 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.5 pttp -83.95 -34.95 24.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.09 -0.505 . . . . 71.41 110.919 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.428 HD11 ' HB2' ' A' ' 75' ' ' TYR . 31.3 mm -77.09 88.87 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 63.11 111.143 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.488 ' O ' HG23 ' A' ' 68' ' ' THR . 63.4 p -136.6 30.0 2.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 74.23 111.135 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.634 HG22 ' HA ' ' A' ' 31' ' ' SER . 1.1 p -158.58 147.4 18.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 73.3 111.147 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.459 HG21 ' HB3' ' A' ' 30' ' ' ALA . 39.5 t -50.0 -60.32 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 61.4 111.096 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.7 tp60 -51.17 -42.06 60.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 64.23 110.931 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.2 -44.3 92.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.482 . . . . 62.02 111.097 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.5 -56.09 12.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 53.34 111.061 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 6.5 tp -54.53 -32.69 25.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 74.45 111.183 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -71.38 -49.21 44.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.486 . . . . 73.03 110.878 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.428 ' HB2' HD11 ' A' ' 66' ' ' ILE . 5.6 t80 -54.52 -57.93 9.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 72.32 110.881 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 67.7 t -57.84 -52.04 62.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 64.0 111.104 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -52.79 -30.84 35.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 73.1 110.865 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 38.6 m -84.5 -32.2 24.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 64.15 110.875 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 20.7 m80 -95.04 57.63 2.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 65.35 110.905 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 62.21 110.9 -179.903 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 N-CA-C 112.5 -0.24 . . . . 62.43 112.5 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.461 ' H ' HD12 ' A' ' 2' ' ' ILE . 1.5 mp -89.04 131.31 41.47 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.615 0.722 . . . . 63.32 111.077 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 0.31 5.85 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.659 2.239 . . . . 74.22 112.331 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.9 mt 67.23 16.33 10.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 75.33 110.945 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.9 t -116.28 -23.06 8.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 51.54 110.927 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -73.24 -50.96 19.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.089 -0.505 . . . . 53.53 110.873 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.657 ' O ' HG23 ' A' ' 11' ' ' VAL . 65.8 mt -54.09 -51.7 44.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 71.11 111.15 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -50.07 -44.47 51.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.482 . . . . 72.24 110.863 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -66.2 -53.61 35.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 53.34 110.857 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.725 ' O ' HD12 ' A' ' 14' ' ' ILE . 3.0 mmm-85 -54.64 -58.08 8.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 74.35 110.865 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 7' ' ' ILE . 40.4 t -49.53 -58.86 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 72.21 111.106 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.695 ' O ' HG23 ' A' ' 16' ' ' VAL . 0.1 OUTLIER -54.12 -42.75 69.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 71.01 110.884 179.894 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.8 ttpt -51.45 -52.02 49.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 63.12 110.905 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.725 HD12 ' O ' ' A' ' 10' ' ' ARG . 2.7 mp -59.08 -54.23 37.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 64.52 111.138 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.451 HD11 HG12 ' A' ' 11' ' ' VAL . 5.8 mt -52.19 -28.85 11.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 53.24 111.094 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 12' ' ' LYS . 88.6 t -78.35 -43.63 26.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 74.41 111.128 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -71.27 -24.38 62.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.452 . . . . 73.15 110.894 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -82.17 -53.6 5.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 71.41 110.878 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.65 HD11 ' CG ' ' A' ' 42' ' ' ASP . 8.3 mp -83.99 -63.69 1.3 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 73.21 110.904 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 128.23 -15.7 6.1 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.729 -0.748 . . . . 74.41 112.481 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.441 ' O ' HG13 ' A' ' 16' ' ' VAL . 29.1 m -68.14 -175.17 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.868 0.366 . . . . 71.04 111.081 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.653 ' O ' HG23 ' A' ' 26' ' ' VAL . 2.2 t70 -93.88 137.44 33.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 54.05 110.897 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -60.16 -32.81 71.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 70.3 110.922 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.1 -62.89 1.49 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 54.1 111.107 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -52.73 -29.21 25.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 73.41 110.914 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 22' ' ' ASP . 60.8 t -72.82 85.24 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 74.12 111.157 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 46.3 mtmt -60.48 170.0 1.54 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 64.44 110.904 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -86.51 -27.24 24.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 53.3 110.871 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -94.33 37.84 1.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 63.21 110.865 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -119.4 -178.27 3.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 55.1 111.13 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.632 ' O ' HD23 ' A' ' 36' ' ' LEU . 43.5 t -132.07 163.55 28.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 64.1 110.838 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.574 ' HB2' HG22 ' A' ' 43' ' ' THR . 10.4 m-85 -71.22 -36.7 71.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 73.31 110.891 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.541 HG13 ' O ' ' A' ' 38' ' ' ALA . 84.7 t -126.99 -40.24 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 65.43 111.15 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -52.86 -28.86 24.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 73.15 110.856 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -122.14 -62.31 1.4 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 71.24 110.919 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.632 HD23 ' O ' ' A' ' 31' ' ' SER . 3.1 mm? -51.62 -30.41 21.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 74.01 110.905 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 80.44 17.42 73.66 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.761 -0.733 . . . . 70.21 112.474 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.541 ' O ' HG13 ' A' ' 33' ' ' VAL . . . -70.91 -169.98 0.4 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.816 0.341 . . . . 62.05 111.078 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -108.01 162.68 13.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 70.53 110.873 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.93 -36.86 50.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 74.42 110.839 -179.745 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.497 HD13 ' O ' ' A' ' 41' ' ' LEU . 0.3 OUTLIER -51.78 -30.48 23.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 70.22 110.891 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.65 ' CG ' HD11 ' A' ' 19' ' ' LEU . 18.2 t0 -70.15 -58.17 4.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 74.23 110.888 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.713 ' O ' HG23 ' A' ' 47' ' ' VAL . 63.0 p -51.1 -36.23 39.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 73.44 111.13 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 73.3 t -68.96 -56.01 13.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 74.32 111.151 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -57.04 -31.21 64.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 70.22 110.9 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 82.5 mt -70.65 -47.21 61.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 75.11 110.903 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 43' ' ' THR . 87.0 t -57.52 -50.2 77.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 72.11 111.133 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 23.8 ptm -63.59 -36.34 83.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 63.11 110.897 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.72 -41.07 94.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 44.31 111.094 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 31.5 mt -68.49 -59.57 3.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 44.1 110.919 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -54.82 -23.82 20.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 72.23 110.867 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -85.14 -60.77 1.94 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 75.4 110.842 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -63.79 -62.66 1.51 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 64.04 110.859 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.405 ' CE1' HG11 ' A' ' 76' ' ' VAL . 12.7 m-85 -64.58 -15.56 61.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 72.11 110.877 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 61.89 45.91 7.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.499 . . . . 72.5 110.878 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 20.3 p -105.14 166.67 10.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 73.15 111.139 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 80.8 mt-10 -97.29 84.16 3.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.437 . . . . 72.03 110.904 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.636 HG21 HG13 ' A' ' 47' ' ' VAL . 51.0 mm -109.85 82.67 2.47 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.601 0.715 . . . . 71.12 111.166 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 176.59 6.6 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.672 2.248 . . . . 64.12 112.341 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -55.72 -42.71 75.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 73.04 110.9 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -56.29 -57.05 13.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 72.11 110.87 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -75.52 -5.21 44.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 72.44 110.885 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -84.73 -34.35 22.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 62.01 111.127 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 -70.84 -28.88 64.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 74.42 110.895 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.3 ptpt -82.68 -34.54 27.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 72.21 110.878 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 46.7 mm -91.81 80.75 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 73.05 111.101 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 55.3 p -126.49 19.04 7.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 51.44 111.165 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.583 HG22 ' OG ' ' A' ' 31' ' ' SER . 19.3 p -140.39 158.86 43.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 52.42 111.14 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 27.6 t -54.89 -61.02 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 70.14 111.145 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -51.77 -41.46 61.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 73.32 110.921 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.23 -46.33 87.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 70.54 111.084 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.08 -57.69 7.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 50.54 111.078 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 1.7 tp -53.39 -32.64 20.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 74.51 111.136 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -69.7 -50.8 40.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 73.21 110.871 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -53.83 -59.87 4.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 63.5 110.93 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.405 HG11 ' CE1' ' A' ' 54' ' ' PHE . 29.0 t -55.11 -48.98 75.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.093 -0.503 . . . . 72.52 111.096 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -60.23 -26.14 66.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 74.01 110.858 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.1 p -86.45 -27.97 23.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 72.3 110.85 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 13.6 m80 -98.38 62.48 1.47 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 53.11 110.89 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 73.32 110.91 -179.922 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.453 -0.259 . . . . 72.24 112.453 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.436 HG23 ' HD2' ' A' ' 3' ' ' PRO . 50.5 mm -81.88 133.2 52.24 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.632 0.73 . . . . 72.55 111.111 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.436 ' HD2' HG23 ' A' ' 2' ' ' ILE . 53.4 Cg_endo -69.86 173.34 11.2 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.676 2.251 . . . . 60.44 112.329 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.478 HD12 ' H ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -91.91 46.19 1.26 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 64.33 110.922 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.9 m -139.21 -42.73 0.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 63.12 110.876 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -60.67 -55.9 27.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 75.01 110.882 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.426 ' O ' HG23 ' A' ' 11' ' ' VAL . 7.5 mt -53.75 -42.4 51.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 73.15 111.131 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -52.02 -54.87 24.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 71.35 110.909 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.8 tp10 -63.27 -36.11 82.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 73.14 110.871 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.601 ' O ' HD12 ' A' ' 14' ' ' ILE . 1.4 tpp180 -64.52 -65.3 0.69 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.148 -0.478 . . . . 74.01 110.844 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.827 HG21 HD12 ' A' ' 73' ' ' ILE . 43.8 t -48.9 -46.65 16.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 63.32 111.131 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.594 ' O ' HG23 ' A' ' 16' ' ' VAL . 4.5 mptt -59.63 -42.41 92.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 74.23 110.928 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 30.4 ttmt -56.04 -48.56 75.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 64.14 110.888 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.601 HD12 ' O ' ' A' ' 10' ' ' ARG . 3.1 mp -60.36 -49.78 82.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 60.31 111.102 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.992 HG23 HD12 ' A' ' 19' ' ' LEU . 13.1 mt -60.71 -36.53 71.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 75.1 111.122 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 12' ' ' LYS . 99.0 t -78.23 -22.73 13.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 63.41 111.146 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -91.83 -14.03 30.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 71.24 110.904 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.728 ' OE1' HD23 ' A' ' 46' ' ' LEU . 2.3 mt-30 -112.21 -64.71 1.26 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 74.33 110.89 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.992 HD12 HG23 ' A' ' 15' ' ' ILE . 42.2 mt -67.35 -36.32 81.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 73.33 110.895 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.43 -26.93 22.69 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.702 -0.761 . . . . 74.45 112.498 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.529 ' O ' HG22 ' A' ' 16' ' ' VAL . 28.4 m -51.2 162.2 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.819 0.342 . . . . 72.33 111.131 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -85.06 145.62 27.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 74.31 110.895 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.458 ' O ' HG12 ' A' ' 26' ' ' VAL . 8.3 pt-20 -61.24 -19.04 61.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 64.02 110.86 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.51 -53.45 4.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 74.1 111.115 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -58.12 -39.63 79.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 74.51 110.872 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.458 HG12 ' O ' ' A' ' 23' ' ' GLU . 9.5 p -51.68 141.29 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 74.31 111.178 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 45.5 mttm -118.63 127.38 53.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 64.42 110.848 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -62.48 -22.31 66.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 73.1 110.883 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -94.87 27.24 3.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 70.42 110.892 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -119.19 -178.75 3.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 64.2 111.048 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.778 ' HB3' HG22 ' A' ' 68' ' ' THR . 0.8 OUTLIER -122.24 -170.11 2.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 72.11 110.911 -179.837 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.575 ' HD2' HG22 ' A' ' 43' ' ' THR . 9.8 m-85 -100.82 -44.49 5.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 73.42 110.887 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.622 HG12 ' O ' ' A' ' 38' ' ' ALA . 9.1 m -119.23 -33.13 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 73.32 111.108 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -64.39 -24.87 67.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 72.11 110.883 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -122.84 -65.61 1.09 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 44.01 110.857 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.751 HD23 ' O ' ' A' ' 31' ' ' SER . 4.0 mm? -56.92 -24.9 55.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 43.14 110.886 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 72.33 25.01 75.42 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.718 -0.753 . . . . 13.34 112.524 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.622 ' O ' HG12 ' A' ' 33' ' ' VAL . . . -66.38 -170.96 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.78 0.324 . . . . 70.12 111.09 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -107.44 165.46 11.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.192 -0.458 . . . . 71.04 110.868 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 51.0 m -52.0 -41.25 62.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 53.42 110.838 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.7 tp -56.66 -33.6 66.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.187 -0.461 . . . . 74.1 110.9 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.453 ' CG ' ' HB1' ' A' ' 38' ' ' ALA . 1.8 m-20 -64.87 -56.94 10.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 74.42 110.85 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.575 HG22 ' HD2' ' A' ' 32' ' ' PHE . 7.8 p -52.5 -55.5 21.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 75.4 111.166 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.7 m -57.57 -34.33 46.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 63.22 111.066 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -61.21 -48.19 82.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 75.54 110.856 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.728 HD23 ' OE1' ' A' ' 18' ' ' GLN . 42.2 mt -63.07 -45.61 91.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 70.02 110.899 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 43' ' ' THR . 60.9 t -53.01 -50.79 43.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 71.14 111.138 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -47.54 85.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 53.01 110.851 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.474 ' HB1' HG12 ' A' ' 14' ' ' ILE . . . -54.99 -34.07 63.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 61.25 111.1 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.727 HD22 HG11 ' A' ' 76' ' ' VAL . 80.6 mt -70.65 -51.74 25.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 74.41 110.922 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -70.64 -10.33 59.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 64.14 110.905 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -96.73 -46.13 6.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.462 . . . . 73.14 110.889 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -85.77 -55.57 3.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 75.02 110.904 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -79.64 -2.91 44.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 71.03 110.918 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 50.99 34.17 10.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.088 -0.506 . . . . 73.15 110.847 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.804 HG21 HG12 ' A' ' 76' ' ' VAL . 3.7 p -69.6 -17.79 63.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 73.24 111.165 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 54.64 24.91 5.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 63.42 110.896 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.434 HD11 ' CD1' ' A' ' 75' ' ' TYR . 36.2 mm -44.26 104.15 0.37 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.625 0.726 . . . . 62.51 111.125 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -169.32 0.32 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.724 2.282 . . . . 74.24 112.31 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -68.48 -53.44 23.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 73.0 110.883 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -51.76 -47.9 63.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 61.14 110.863 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -70.79 -37.81 73.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 61.31 110.919 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -52.15 -45.59 65.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.102 -0.499 . . . . 63.13 111.113 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -56.73 -24.92 53.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 73.44 110.88 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.0 mtpp -79.97 -45.65 18.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 73.13 110.883 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.79 HD12 ' HA ' ' A' ' 72' ' ' ALA . 47.2 mm -72.94 77.58 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 72.13 111.147 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 26.1 p -110.03 -15.78 13.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 54.12 111.15 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.778 HG22 ' HB3' ' A' ' 31' ' ' SER . 47.7 p -122.5 -176.55 3.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.241 -0.436 . . . . 73.42 111.13 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.42 ' O ' HG22 ' A' ' 73' ' ' ILE . 62.1 t -78.68 -57.89 4.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 53.12 111.128 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -50.25 -38.78 42.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 73.43 110.908 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.31 -51.09 62.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 71.3 111.06 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.79 ' HA ' HD12 ' A' ' 66' ' ' ILE . . . -61.9 -57.91 9.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 53.3 111.12 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.827 HD12 HG21 ' A' ' 11' ' ' VAL . 1.2 tp -52.86 -35.77 22.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 44.44 111.107 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -67.87 -39.3 83.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.481 . . . . 63.4 110.87 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.434 ' CD1' HD11 ' A' ' 58' ' ' ILE . 2.0 t80 -65.18 -65.19 0.7 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 74.23 110.905 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.804 HG12 HG21 ' A' ' 56' ' ' THR . 17.4 m -51.03 -42.45 24.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 72.53 111.147 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.416 ' N ' HG23 ' A' ' 76' ' ' VAL . 27.1 t-20 -62.63 -39.72 94.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 73.35 110.92 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 17.6 t -75.3 -25.84 58.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 63.31 110.87 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 14.3 m80 -105.91 61.75 0.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 70.04 110.876 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 75.2 110.9 -179.938 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.0 m . . . . . 0 CA--C 1.527 0.058 0 CA-C-O 120.892 0.377 . . . . 52.210000000000001 110.837 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -84.09 -50.05 8.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.478 . . . . 75.200000000000003 110.896 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.645 ' O ' HG23 ' A' ' 11' ' ' VAL . 50.2 mt -58.5 -39.83 76.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 73.409999999999997 111.113 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -56.03 -54.88 39.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 72.400000000000006 110.891 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -64.85 -37.94 89.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 74.019999999999996 110.926 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.733 ' O ' HD12 ' A' ' 14' ' ' ILE . 2.9 mmm180 -62.6 -63.36 1.25 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 71.329999999999998 110.877 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 7' ' ' ILE . 39.8 t -50.33 -49.3 23.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 72.219999999999999 111.122 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.683 ' O ' HG23 ' A' ' 16' ' ' VAL . 0.4 OUTLIER -59.28 -44.32 92.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 74.409999999999997 110.882 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.7 ttmm -51.96 -53.43 41.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 71.349999999999994 110.86 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.733 HD12 ' O ' ' A' ' 10' ' ' ARG . 2.5 mp -58.18 -54.33 33.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 74.310000000000002 111.136 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 57.0 mt -51.07 -30.44 9.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 61.210000000000001 111.143 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.683 HG23 ' O ' ' A' ' 12' ' ' LYS . 97.6 t -78.7 -37.46 20.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 53.520000000000003 111.136 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -73.9 -25.49 60.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 73.5 110.918 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 -83.44 -49.15 9.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 71.420000000000002 110.909 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.766 HD11 HD23 ' A' ' 36' ' ' LEU . 63.3 mt -85.79 -62.69 1.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 74.129999999999995 110.902 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 112.11 17.73 8.16 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.754 -0.736 . . . . 53.329999999999998 112.493 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 19.7 m -106.87 -174.31 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.843 0.354 . . . . 72.140000000000001 111.127 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -80.89 124.73 29.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 72.420000000000002 110.831 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -54.89 -26.86 38.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 71.319999999999993 110.852 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.93 -54.72 34.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 72.040000000000006 111.116 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -51.93 -30.59 25.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 62.25 110.913 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 61.2 t -67.73 104.2 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 75.420000000000002 111.161 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.0 mmmt -77.53 146.63 36.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 74.340000000000003 110.929 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -70.97 -44.46 65.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 65.0 110.877 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -70.18 -25.88 63.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 70.129999999999995 110.874 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.416 ' HB1' ' CB ' ' A' ' 35' ' ' ASP . . . -71.26 165.75 23.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 64.409999999999997 111.136 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.66 ' OG ' HG22 ' A' ' 68' ' ' THR . 9.3 t -105.68 -172.48 2.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 73.0 110.843 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.719 ' HA ' HD22 ' A' ' 36' ' ' LEU . 14.9 m-85 -86.32 -21.73 27.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 63.210000000000001 110.878 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.655 HG12 ' O ' ' A' ' 38' ' ' ALA . 17.8 m -119.35 -36.22 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 72.530000000000001 111.143 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -51.81 -66.61 0.35 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 73.549999999999997 110.906 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.416 ' CB ' ' HB1' ' A' ' 30' ' ' ALA . 8.4 t70 -91.23 -52.81 4.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 73.5 110.862 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.766 HD23 HD11 ' A' ' 19' ' ' LEU . 6.6 mp -51.71 -37.62 51.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 75.319999999999993 110.915 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 78.51 20.99 70.49 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.685 -0.769 . . . . 53.100000000000001 112.456 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.655 ' O ' HG12 ' A' ' 33' ' ' VAL . . . -78.84 -175.2 4.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.835 0.35 . . . . 45.119999999999997 111.091 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -114.63 177.31 4.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 55.25 110.872 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.518 ' O ' HG23 ' A' ' 44' ' ' VAL . 1.4 m -52.46 -30.95 32.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 74.439999999999998 110.882 -179.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.8 tp -60.17 -42.87 95.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 55.340000000000003 110.921 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -58.29 -56.69 18.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 74.219999999999999 110.872 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.559 HG22 ' HD2' ' A' ' 32' ' ' PHE . 73.8 p -51.39 -55.71 17.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 73.030000000000001 111.101 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 40' ' ' SER . 61.5 t -54.54 -38.7 42.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 53.109999999999999 111.126 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.47 -46.1 89.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.475 . . . . 75.329999999999998 110.886 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.565 HD12 ' CE2' ' A' ' 32' ' ' PHE . 25.7 mt -65.29 -38.8 91.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 74.340000000000003 110.884 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.613 HG13 HG21 ' A' ' 58' ' ' ILE . 99.2 t -57.24 -58.82 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 71.219999999999999 111.128 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 18.0 ptm -57.59 -43.1 84.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 61.310000000000002 110.911 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.42 -35.33 69.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 73.420000000000002 111.068 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.671 HD22 HG21 ' A' ' 76' ' ' VAL . 57.7 mt -69.81 -53.8 16.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 64.5 110.909 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -66.78 -13.11 61.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 73.430000000000007 110.849 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -94.02 -48.62 6.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 74.129999999999995 110.877 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -81.57 -59.08 2.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.487 . . . . 73.120000000000005 110.865 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.622 ' HB3' HG23 ' A' ' 56' ' ' THR . 27.8 m-85 -72.9 -8.41 55.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 55.329999999999998 110.904 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.5 t70 53.62 38.4 28.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 64.439999999999998 110.863 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.622 HG23 ' HB3' ' A' ' 54' ' ' PHE . 58.8 p -91.46 163.8 14.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 43.329999999999998 111.129 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -94.7 84.94 4.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 73.099999999999994 110.885 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.613 HG21 HG13 ' A' ' 47' ' ' VAL . 50.4 mm -111.76 77.84 1.99 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.661 0.743 . . . . 73.349999999999994 111.122 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -170.65 0.41 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.719 2.279 . . . . 64.340000000000003 112.359 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -54.88 -49.71 70.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 65.340000000000003 110.917 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -55.37 -63.95 1.0 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 73.030000000000001 110.875 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -56.98 -23.32 45.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 73.109999999999999 110.901 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -77.69 -28.13 50.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 44.219999999999999 111.099 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -79.32 -29.58 42.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 74.340000000000003 110.87 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.9 pttt -84.97 -32.61 22.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 70.319999999999993 110.891 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 41.3 mm -91.14 81.18 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 73.150000000000006 111.121 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.2 t -123.58 12.79 9.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 73.140000000000001 111.153 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.66 HG22 ' OG ' ' A' ' 31' ' ' SER . 19.2 p -135.19 155.29 50.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 70.519999999999996 111.153 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.43 HG22 ' HE1' ' A' ' 32' ' ' PHE . 67.2 t -54.06 -60.61 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 71.400000000000006 111.179 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -51.31 -40.89 59.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 72.409999999999997 110.892 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.07 -46.9 82.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 74.209999999999994 111.123 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.84 -56.25 14.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 74.430000000000007 111.105 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.414 HD12 HG21 ' A' ' 11' ' ' VAL . 4.5 tp -54.93 -32.95 27.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 65.340000000000003 111.13 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -69.46 -47.44 63.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 74.230000000000004 110.899 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -57.65 -61.38 2.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 75.299999999999997 110.908 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.671 HG21 HD22 ' A' ' 50' ' ' LEU . 75.2 t -53.17 -51.82 35.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.5 . . . . 53.43 111.129 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.418 ' HA ' HD13 ' A' ' 7' ' ' ILE . 19.7 t-20 -56.71 -32.12 65.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 73.420000000000002 110.883 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 34.5 t -80.51 -26.85 37.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 63.030000000000001 110.862 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 17.4 m80 -103.51 64.28 0.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.5 . . . . 74.409999999999997 110.827 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 62.109999999999999 110.856 -179.905 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.6 p . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.858 0.361 . . . . 75.140000000000001 110.854 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -85.42 -31.96 22.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.075 -0.512 . . . . 73.310000000000002 110.872 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.607 ' O ' HG23 ' A' ' 11' ' ' VAL . 6.6 mt -66.49 -48.14 81.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 71.400000000000006 111.121 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -51.19 -48.03 62.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 72.400000000000006 110.878 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -65.51 -49.38 69.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 75.109999999999999 110.89 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.652 ' O ' HD12 ' A' ' 14' ' ' ILE . 1.0 OUTLIER -55.82 -59.89 4.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 74.409999999999997 110.918 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.932 HG21 HD12 ' A' ' 73' ' ' ILE . 43.2 t -50.11 -59.57 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 70.230000000000004 111.09 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.666 ' HG3' HG11 ' A' ' 26' ' ' VAL . 0.9 OUTLIER -51.66 -46.4 63.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 73.420000000000002 110.855 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -49.77 -51.89 35.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 72.310000000000002 110.882 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.652 HD12 ' O ' ' A' ' 10' ' ' ARG . 3.3 mt -57.9 -58.68 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 54.219999999999999 111.112 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.732 HD12 ' O ' ' A' ' 11' ' ' VAL . 3.1 mt -52.92 -30.89 16.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 74.540000000000006 111.149 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.673 HG13 ' O ' ' A' ' 21' ' ' VAL . 78.1 t -80.03 -29.59 12.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 74.049999999999997 111.108 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -83.0 -20.14 35.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 74.25 110.863 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -91.02 -56.93 2.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 63.32 110.924 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.634 HD11 ' CG ' ' A' ' 42' ' ' ASP . 8.6 mp -76.63 -59.73 2.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 71.040000000000006 110.85 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 127.44 -18.71 6.04 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.739 -0.743 . . . . 35.240000000000002 112.47 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.673 ' O ' HG13 ' A' ' 16' ' ' VAL . 31.3 m -58.9 -177.37 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.796 0.332 . . . . 53.43 111.119 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -98.31 143.9 28.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.461 . . . . 65.219999999999999 110.847 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.651 ' O ' HG12 ' A' ' 26' ' ' VAL . 6.1 pt-20 -62.22 -17.53 58.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 72.219999999999999 110.865 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.61 -21.81 25.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 61.340000000000003 111.09 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -96.28 25.02 5.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.451 . . . . 75.530000000000001 110.93 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.666 HG11 ' HG3' ' A' ' 12' ' ' LYS . 9.2 p -122.69 143.35 35.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 71.299999999999997 111.086 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.9 mttm -118.66 173.22 6.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 73.420000000000002 110.94 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.414 ' OD1' HG21 ' A' ' 73' ' ' ILE . 0.7 OUTLIER -92.94 -42.91 9.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 71.420000000000002 110.892 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -66.96 -23.04 65.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 71.329999999999998 110.899 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.16 177.69 1.0 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 64.549999999999997 111.072 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.744 ' OG ' HG22 ' A' ' 68' ' ' THR . 42.4 t -132.44 170.47 15.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 74.239999999999995 110.811 -179.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.538 ' HB2' HG22 ' A' ' 43' ' ' THR . 11.1 m-30 -73.35 -35.42 66.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.09 -0.504 . . . . 70.409999999999997 110.834 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.529 HG22 ' C ' ' A' ' 38' ' ' ALA . 89.3 t -130.36 -39.3 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 63.409999999999997 111.121 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -51.59 -30.25 20.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 62.43 110.867 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -120.42 -61.58 1.56 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 63.049999999999997 110.891 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.665 HD23 ' O ' ' A' ' 31' ' ' SER . 3.2 mm? -51.77 -39.65 58.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 75.030000000000001 110.863 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 91.7 15.34 55.02 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.719 -0.753 . . . . 73.109999999999999 112.46 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.529 ' C ' HG22 ' A' ' 33' ' ' VAL . . . -67.85 -169.62 0.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.771 0.32 . . . . 72.430000000000007 111.127 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 42.7 p30 -111.5 165.17 12.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 45.240000000000002 110.877 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.642 ' O ' HG23 ' A' ' 44' ' ' VAL . 3.0 m -52.0 -31.6 30.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 53.5 110.825 -179.758 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.4 tp -58.97 -33.68 70.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.168 -0.469 . . . . 75.549999999999997 110.913 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.634 ' CG ' HD11 ' A' ' 19' ' ' LEU . 8.9 t0 -69.16 -46.51 67.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 72.430000000000007 110.824 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.65 ' O ' HG23 ' A' ' 47' ' ' VAL . 59.7 p -63.05 -32.27 73.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 44.009999999999998 111.169 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 40' ' ' SER . 86.3 t -70.95 -52.69 25.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 74.230000000000004 111.114 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -59.75 -32.8 70.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 73.400000000000006 110.875 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 60.2 mt -69.72 -56.99 5.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 73.319999999999993 110.915 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 43' ' ' THR . 97.2 t -50.9 -42.27 23.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 60.420000000000002 111.141 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 2.4 mmm -66.88 -44.21 81.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 73.150000000000006 110.816 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.25 -30.47 66.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 73.340000000000003 111.1 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.636 HD22 HG11 ' A' ' 76' ' ' VAL . 52.9 mt -76.1 -55.37 5.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 74.209999999999994 110.906 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -61.03 -18.09 55.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 24.039999999999999 110.91 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 28.1 tp10 -95.15 -56.41 2.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 72.409999999999997 110.886 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -66.52 -57.39 7.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 61.210000000000001 110.876 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -76.54 -5.3 47.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 71.219999999999999 110.896 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.1 t0 50.66 49.19 21.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 71.219999999999999 110.869 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.2 t -108.71 134.37 51.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 64.319999999999993 111.167 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -63.04 111.96 2.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 63.409999999999997 110.864 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.62 HG21 HG13 ' A' ' 47' ' ' VAL . 43.1 mm -131.64 78.05 71.71 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.653 0.74 . . . . 72.030000000000001 111.146 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -171.21 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.615 2.21 . . . . 75.420000000000002 112.372 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -54.73 -54.09 46.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 72.430000000000007 110.873 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -51.92 -64.07 0.93 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 74.049999999999997 110.91 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -55.88 -25.35 42.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 75.120000000000005 110.869 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.56 -26.11 54.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 73.099999999999994 111.09 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -82.61 -27.75 31.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.248 -0.433 . . . . 73.420000000000002 110.907 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.1 ptmt -87.43 -32.89 19.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 72.109999999999999 110.917 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 32.0 mm -87.46 90.66 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 52.219999999999999 111.127 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.8 t -134.49 16.28 3.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.167 -0.47 . . . . 61.210000000000001 111.123 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.744 HG22 ' OG ' ' A' ' 31' ' ' SER . 49.4 p -137.59 178.12 7.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 73.329999999999998 111.152 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.496 ' O ' HG22 ' A' ' 73' ' ' ILE . 61.0 t -74.81 -61.53 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 74.319999999999993 111.148 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 22.9 tp60 -50.99 -39.19 55.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 71.420000000000002 110.931 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.89 -48.08 72.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 70.319999999999993 111.094 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.506 ' HB1' HD11 ' A' ' 50' ' ' LEU . . . -65.56 -58.81 4.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 74.549999999999997 111.119 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.932 HD12 HG21 ' A' ' 11' ' ' VAL . 1.7 tp -51.32 -37.1 17.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 74.319999999999993 111.154 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -67.26 -44.02 80.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 73.219999999999999 110.902 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -59.93 -64.85 0.8 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 72.129999999999995 110.926 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.636 HG11 HD22 ' A' ' 50' ' ' LEU . 20.3 m -51.92 -40.03 27.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 73.219999999999999 111.132 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -61.71 -45.68 92.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.168 -0.469 . . . . 51.109999999999999 110.901 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 39.6 t -70.78 -28.74 64.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 62.520000000000003 110.848 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 20.4 m80 -99.08 62.52 1.28 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 64.420000000000002 110.854 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 72.400000000000006 110.923 -179.924 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.0 m . . . . . 0 N--CA 1.458 -0.035 0 CA-C-O 120.92 0.39 . . . . 61.119999999999997 110.904 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -54.87 -56.88 14.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.067 -0.515 . . . . 33.039999999999999 110.907 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.65 ' O ' HG23 ' A' ' 11' ' ' VAL . 48.4 mt -54.76 -40.46 51.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 60.420000000000002 111.128 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -53.83 -60.94 2.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.484 . . . . 65.099999999999994 110.921 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -59.27 -41.45 88.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 74.230000000000004 110.906 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -58.67 -65.57 0.64 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 73.019999999999996 110.86 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 7' ' ' ILE . 42.0 t -48.19 -41.15 10.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 62.439999999999998 111.128 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.559 ' O ' HG23 ' A' ' 16' ' ' VAL . 0.1 OUTLIER -59.35 -41.34 89.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 71.450000000000003 110.874 179.932 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.9 ttmt -65.0 -36.36 84.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 70.319999999999993 110.92 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 13.6 mm -63.56 -48.89 84.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 34.119999999999997 111.144 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.446 HG23 HD13 ' A' ' 19' ' ' LEU . 5.2 mt -67.1 -38.79 81.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 61.350000000000001 111.143 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 12' ' ' LYS . 94.1 t -73.34 -23.64 19.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 35.240000000000002 111.132 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -87.06 -26.12 23.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 74.129999999999995 110.897 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -89.6 -66.08 0.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 73.219999999999999 110.918 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.559 ' CD2' HD13 ' A' ' 36' ' ' LEU . 10.7 mp -57.42 -48.34 79.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 75.239999999999995 110.873 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 108.67 -15.54 34.64 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.715 -0.755 . . . . 55.340000000000003 112.473 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.491 ' O ' HG13 ' A' ' 16' ' ' VAL . 33.7 m -58.28 -175.99 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.804 0.335 . . . . 72.439999999999998 111.143 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -96.11 144.24 26.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 73.030000000000001 110.86 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.623 ' O ' HG12 ' A' ' 26' ' ' VAL . 12.4 pt-20 -63.26 -16.49 60.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 62.210000000000001 110.868 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.93 -18.54 43.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 64.340000000000003 111.079 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -99.42 43.02 1.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 74.329999999999998 110.885 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.623 HG12 ' O ' ' A' ' 23' ' ' GLU . 8.1 p -131.06 153.51 39.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 71.099999999999994 111.127 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.533 ' HG2' ' HB2' ' A' ' 30' ' ' ALA . 0.7 OUTLIER -154.83 159.53 40.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 73.430000000000007 110.89 179.916 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -80.14 -1.89 42.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 75.510000000000005 110.916 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -114.49 22.38 13.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 72.540000000000006 110.873 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.533 ' HB2' ' HG2' ' A' ' 27' ' ' LYS . . . -109.98 157.13 19.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 72.340000000000003 111.067 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.1 t -91.96 -169.96 2.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 75.349999999999994 110.865 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.663 ' CE2' HD13 ' A' ' 46' ' ' LEU . 3.2 m-30 -103.4 -32.88 9.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 73.439999999999998 110.88 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.691 HG23 ' O ' ' A' ' 38' ' ' ALA . 9.3 p -127.48 -36.25 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 73.129999999999995 111.113 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -64.31 -28.1 69.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 72.099999999999994 110.882 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -110.02 -68.73 0.91 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 72.450000000000003 110.919 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.559 HD13 ' CD2' ' A' ' 19' ' ' LEU . 34.8 mt -51.68 -29.95 20.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 71.340000000000003 110.909 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 78.32 18.18 76.63 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.76 -0.733 . . . . 74.329999999999998 112.486 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.691 ' O ' HG23 ' A' ' 33' ' ' VAL . . . -66.36 -169.66 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.78 0.324 . . . . 61.100000000000001 111.086 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -131.23 177.32 7.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 71.329999999999998 110.853 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.61 ' O ' HG23 ' A' ' 44' ' ' VAL . 5.1 m -51.84 -34.31 39.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 53.240000000000002 110.822 -179.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.4 tp -64.46 -43.11 95.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 75.25 110.915 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.612 ' CB ' ' HB1' ' A' ' 38' ' ' ALA . 4.4 m-20 -63.27 -53.82 46.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 63.119999999999997 110.863 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -51.76 -55.28 20.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 74.329999999999998 111.156 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 40' ' ' SER . 57.3 t -56.12 -44.44 78.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 73.030000000000001 111.133 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.51 -39.79 73.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 53.210000000000001 110.864 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.663 HD13 ' CE2' ' A' ' 32' ' ' PHE . 37.4 mt -66.03 -50.09 65.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 61.420000000000002 110.893 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.62 HG13 ' CG2' ' A' ' 58' ' ' ILE . 96.7 t -51.38 -56.1 6.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 61.439999999999998 111.125 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 21.7 ptp -59.8 -37.31 78.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 44.43 110.865 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.65 -33.56 72.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 72.109999999999999 111.109 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.458 ' HB2' HD12 ' A' ' 58' ' ' ILE . 95.3 mt -75.27 -57.35 3.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 72.230000000000004 110.923 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -59.47 -19.57 48.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 71.409999999999997 110.914 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -93.14 -59.71 1.97 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 61.240000000000002 110.892 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -64.18 -59.38 4.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 64.109999999999999 110.911 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -74.14 -7.53 52.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 73.019999999999996 110.876 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 59.15 35.2 23.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.12 -0.491 . . . . 71.329999999999998 110.827 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 31.6 p -92.52 176.22 6.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 71.329999999999998 111.102 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -112.98 84.59 2.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 71.030000000000001 110.9 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.62 ' CG2' HG13 ' A' ' 47' ' ' VAL . 50.8 mt -110.35 82.48 2.73 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.634 0.731 . . . . 74.120000000000005 111.137 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 -170.42 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.638 2.226 . . . . 74.349999999999994 112.339 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -65.5 -37.65 87.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 71.420000000000002 110.838 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -61.12 -51.76 67.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 74.299999999999997 110.868 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.64 -28.99 62.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 64.340000000000003 110.874 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.12 -44.51 97.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 52.119999999999997 111.103 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.73 -21.93 43.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 75.400000000000006 110.933 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.8 mtmt -84.74 -50.11 7.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 71.099999999999994 110.904 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.616 HD12 ' HA ' ' A' ' 72' ' ' ALA . 43.7 mm -63.93 92.77 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 74.219999999999999 111.123 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.521 HG23 HG23 ' A' ' 68' ' ' THR . 8.9 t -138.64 15.5 2.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 74.329999999999998 111.131 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.521 HG23 HG23 ' A' ' 67' ' ' THR . 70.9 p -150.39 153.12 35.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.242 -0.435 . . . . 75.209999999999994 111.165 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.51 HG21 ' O ' ' A' ' 27' ' ' LYS . 30.0 t -53.51 -49.28 55.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 71.200000000000003 111.139 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.09 -46.25 91.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 74.129999999999995 110.895 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.24 -38.57 89.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 55.520000000000003 111.084 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.616 ' HA ' HD12 ' A' ' 66' ' ' ILE . . . -71.89 -57.99 3.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 75.510000000000005 111.121 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.436 HD12 HG22 ' A' ' 7' ' ' ILE . 2.4 tp -53.78 -30.6 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 71.409999999999997 111.178 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -73.4 -53.45 10.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 63.049999999999997 110.812 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.564 ' HB2' HD11 ' A' ' 66' ' ' ILE . 12.0 t80 -51.81 -53.83 35.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 74.219999999999999 110.932 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 66.5 t -60.84 -52.94 55.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 63.109999999999999 111.163 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -55.21 -26.66 40.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 53.450000000000003 110.924 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.7 t -88.91 -26.99 21.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 45.43 110.876 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 21.7 m80 -96.36 56.68 1.6 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.5 . . . . 75.519999999999996 110.849 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 72.510000000000005 110.888 -179.931 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.8 p . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.864 0.364 . . . . 75.439999999999998 110.862 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -69.9 -46.93 64.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 64.439999999999998 110.881 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.72 ' O ' HG23 ' A' ' 11' ' ' VAL . 63.5 mt -52.17 -53.35 19.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 75.420000000000002 111.132 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -52.21 -59.24 4.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 73.299999999999997 110.913 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -53.57 -47.04 70.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.49 . . . . 72.129999999999995 110.866 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.736 ' O ' HD12 ' A' ' 14' ' ' ILE . 14.7 mmm180 -57.81 -52.05 67.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 73.25 110.9 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.747 ' O ' HD12 ' A' ' 15' ' ' ILE . 98.7 t -48.47 -56.82 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 73.439999999999998 111.103 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.659 ' O ' HG23 ' A' ' 16' ' ' VAL . 62.3 mmtt -52.26 -48.96 64.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 75.540000000000006 110.89 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.1 ttmt -51.59 -54.37 28.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 75.329999999999998 110.932 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.736 HD12 ' O ' ' A' ' 10' ' ' ARG . 2.9 mt -51.44 -60.45 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 71.319999999999993 111.119 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.747 HD12 ' O ' ' A' ' 11' ' ' VAL . 3.1 mt -51.83 -29.06 10.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 71.120000000000005 111.143 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 12' ' ' LYS . 78.6 t -79.35 -33.23 15.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 65.219999999999999 111.115 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -80.01 -29.24 39.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 72.140000000000001 110.884 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -80.6 -51.75 8.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 75.0 110.935 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.681 HD11 HD23 ' A' ' 36' ' ' LEU . 65.8 mt -81.53 -51.79 7.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 72.439999999999998 110.88 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.09 -16.87 27.38 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.76 -0.733 . . . . 53.32 112.523 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.469 ' O ' HG13 ' A' ' 16' ' ' VAL . 18.7 m -70.33 -175.02 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.773 0.32 . . . . 55.310000000000002 111.143 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -93.59 137.1 33.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 74.120000000000005 110.863 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -54.17 -35.84 62.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 74.219999999999999 110.9 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.47 -58.76 5.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 55.539999999999999 111.071 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -53.04 -39.6 63.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 71.25 110.847 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 62.0 t -66.69 114.1 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 73.25 111.128 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.7 mtmm -92.24 151.24 20.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 62.32 110.843 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -67.99 -31.2 70.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 53.340000000000003 110.907 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -96.32 28.21 3.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 71.019999999999996 110.911 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.506 ' HB1' ' CB ' ' A' ' 35' ' ' ASP . . . -115.01 139.6 49.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 63.200000000000003 111.084 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.604 ' HA ' HG22 ' A' ' 68' ' ' THR . 1.5 t -83.44 162.49 20.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 63.340000000000003 110.903 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.697 ' HA ' HD22 ' A' ' 36' ' ' LEU . 7.6 m-85 -75.77 -17.3 59.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 75.439999999999998 110.875 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.467 HG22 ' O ' ' A' ' 38' ' ' ALA . 25.1 t -123.7 -46.77 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 74.439999999999998 111.186 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -57.47 -67.65 0.31 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 70.099999999999994 110.889 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.506 ' CB ' ' HB1' ' A' ' 30' ' ' ALA . 2.9 m-20 -76.23 -63.16 1.39 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 74.010000000000005 110.855 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.697 HD22 ' HA ' ' A' ' 32' ' ' PHE . 6.8 mp -51.74 -74.85 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 64.239999999999995 110.929 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 119.89 32.32 1.2 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.755 -0.736 . . . . 72.25 112.44 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.51 ' HB1' ' HB2' ' A' ' 42' ' ' ASP . . . -97.91 172.25 7.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.834 0.35 . . . . 72.049999999999997 111.077 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -93.88 177.7 5.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 60.340000000000003 110.869 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.0 m -52.31 -39.25 60.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 63.109999999999999 110.839 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.45 HD13 ' O ' ' A' ' 41' ' ' LEU . 0.2 OUTLIER -51.63 -32.66 30.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 70.340000000000003 110.922 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.51 ' HB2' ' HB1' ' A' ' 38' ' ' ALA . 35.7 t0 -66.45 -56.26 11.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 70.319999999999993 110.854 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.562 HG22 ' HD2' ' A' ' 32' ' ' PHE . 82.8 p -51.71 -56.14 15.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 72.140000000000001 111.139 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.7 p -56.2 -38.83 56.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 72.439999999999998 111.12 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -57.72 -48.96 78.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 75.439999999999998 110.888 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.608 HD12 ' CE2' ' A' ' 32' ' ' PHE . 24.1 mt -60.43 -48.17 82.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 73.0 110.889 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.753 ' HA ' HD12 ' A' ' 50' ' ' LEU . 99.8 t -50.49 -49.73 23.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 62.439999999999998 111.103 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 44.4 mtp -59.29 -48.87 80.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 62.329999999999998 110.914 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.82 -32.0 59.88 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.236 -0.438 . . . . 75.329999999999998 111.072 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.753 HD12 ' HA ' ' A' ' 47' ' ' VAL . 11.8 mt -72.46 -46.3 55.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 54.329999999999998 110.963 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -78.46 -5.47 52.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 73.019999999999996 110.848 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -107.02 -24.68 11.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 73.030000000000001 110.921 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -108.29 -50.02 3.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 64.209999999999994 110.876 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.42 ' CD2' HG11 ' A' ' 76' ' ' VAL . 21.5 m-85 -86.49 -1.29 57.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 74.120000000000005 110.861 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.5 t70 51.75 30.18 6.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.129 -0.487 . . . . 73.530000000000001 110.897 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.743 HG21 HG12 ' A' ' 76' ' ' VAL . 4.5 t -94.63 122.07 36.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 72.140000000000001 111.1 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -64.29 118.55 8.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 62.450000000000003 110.867 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.557 HG21 HG13 ' A' ' 47' ' ' VAL . 48.1 mt -137.92 82.36 25.81 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.612 0.72 . . . . 61.219999999999999 111.14 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -169.31 0.32 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.649 2.233 . . . . 73.540000000000006 112.352 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -67.23 -35.37 79.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 73.209999999999994 110.832 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -65.52 -44.27 87.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 73.040000000000006 110.912 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -80.84 -22.61 39.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.485 . . . . 74.409999999999997 110.908 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.94 -46.54 65.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 74.299999999999997 111.056 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -52.12 -29.59 22.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.286 -0.415 . . . . 73.109999999999999 110.878 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.7 mttp -73.65 -48.6 31.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 65.219999999999999 110.86 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.482 HD12 ' HA ' ' A' ' 72' ' ' ALA . 50.3 mm -62.66 112.82 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.277 -0.419 . . . . 74.430000000000007 111.131 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 31.9 p -129.95 -38.47 1.45 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 74.420000000000002 111.175 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.604 HG22 ' HA ' ' A' ' 31' ' ' SER . 17.9 p -116.94 170.99 8.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 71.340000000000003 111.161 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 23.8 t -57.43 -49.82 79.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 55.210000000000001 111.152 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.7 tp60 -51.18 -42.79 61.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 54.0 110.876 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.83 -44.0 97.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 63.43 111.08 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.482 ' HA ' HD12 ' A' ' 66' ' ' ILE . . . -68.0 -58.35 4.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 72.230000000000004 111.104 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 3.3 tp -52.13 -33.44 16.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 74.099999999999994 111.122 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -70.91 -46.74 61.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 70.230000000000004 110.846 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -55.54 -55.58 30.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 75.109999999999999 110.929 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.743 HG12 HG21 ' A' ' 56' ' ' THR . 23.9 m -62.54 -38.43 81.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.487 . . . . 64.219999999999999 111.105 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -66.22 -24.67 66.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 64.310000000000002 110.908 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.6 t -93.89 -27.73 16.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 72.439999999999998 110.858 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 9.8 m80 -89.42 58.91 4.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 62.119999999999997 110.91 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 63.219999999999999 110.9 -179.891 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.5 p . . . . . 0 N--CA 1.458 -0.043 0 CA-C-O 120.879 0.371 . . . . 61.329999999999998 110.868 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -59.75 -58.21 9.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.096 -0.502 . . . . 72.319999999999993 110.907 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.669 ' O ' HG23 ' A' ' 11' ' ' VAL . 60.6 mt -51.87 -38.91 23.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 75.209999999999994 111.155 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -59.46 -71.7 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 73.230000000000004 110.891 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -50.04 -31.49 13.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.13 -0.486 . . . . 72.430000000000007 110.862 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.722 ' O ' HD12 ' A' ' 14' ' ' ILE . 0.7 OUTLIER -68.1 -60.79 2.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 74.420000000000002 110.857 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 7' ' ' ILE . 94.2 t -48.31 -36.32 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 71.540000000000006 111.159 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.523 ' O ' HG23 ' A' ' 16' ' ' VAL . 38.3 mmtm -67.63 -55.24 14.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 71.239999999999995 110.905 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.8 ptmt -50.98 -32.71 21.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 70.239999999999995 110.925 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.722 HD12 ' O ' ' A' ' 10' ' ' ARG . 3.4 mt -76.16 -59.88 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 73.530000000000001 111.135 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.514 HD12 HG12 ' A' ' 11' ' ' VAL . 66.3 mt -55.39 -24.6 15.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 65.219999999999999 111.097 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 12' ' ' LYS . 74.6 t -85.74 -40.67 14.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 54.439999999999998 111.141 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -73.07 -18.24 61.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 72.239999999999995 110.898 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -96.81 -51.77 4.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 72.209999999999994 110.897 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.637 HD13 HD23 ' A' ' 36' ' ' LEU . 46.8 mt -78.58 -50.28 11.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 55.140000000000001 110.879 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 109.8 -22.91 22.93 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.787 -0.72 . . . . 74.219999999999999 112.505 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 20.3 m -64.56 -178.93 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.812 0.339 . . . . 71.200000000000003 111.121 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.69 ' O ' HG23 ' A' ' 26' ' ' VAL . 1.8 t70 -90.17 132.16 35.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 74.040000000000006 110.865 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -52.13 -31.02 29.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 51.200000000000003 110.889 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.28 -58.69 4.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 54.009999999999998 111.107 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -53.92 -27.88 33.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 73.030000000000001 110.878 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.69 HG23 ' O ' ' A' ' 22' ' ' ASP . 66.7 t -67.11 89.6 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 71.010000000000005 111.132 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -59.73 131.16 50.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 71.420000000000002 110.905 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -61.72 -42.92 99.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.452 . . . . 73.299999999999997 110.881 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -69.28 -23.96 63.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 65.109999999999999 110.869 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.489 ' HB1' ' CB ' ' A' ' 35' ' ' ASP . . . -71.89 166.58 21.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 75.310000000000002 111.146 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.666 ' OG ' HG22 ' A' ' 68' ' ' THR . 11.5 t -107.45 -175.79 2.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.243 -0.435 . . . . 63.210000000000001 110.88 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.637 ' HB2' HG22 ' A' ' 43' ' ' THR . 13.1 m-85 -80.48 -33.22 36.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 75.439999999999998 110.923 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.522 HG13 ' O ' ' A' ' 38' ' ' ALA . 63.9 t -126.19 -39.48 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 73.109999999999999 111.137 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -52.48 -29.46 24.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 64.209999999999994 110.866 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.489 ' CB ' ' HB1' ' A' ' 30' ' ' ALA . 1.0 OUTLIER -118.14 -66.12 1.11 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 62.43 110.874 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.637 HD23 HD13 ' A' ' 19' ' ' LEU . 8.1 mp -51.79 -37.49 51.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 71.420000000000002 110.906 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 89.99 15.91 56.96 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.699 -0.762 . . . . 33.420000000000002 112.485 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.522 ' O ' HG13 ' A' ' 33' ' ' VAL . . . -63.42 -169.49 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.816 0.341 . . . . 41.329999999999998 111.075 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -109.98 -176.55 3.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 72.129999999999995 110.822 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.6 t -65.59 -45.33 83.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 61.149999999999999 110.827 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.2 tp -51.78 -39.72 59.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.481 . . . . 73.439999999999998 110.896 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.502 ' CG ' ' HB1' ' A' ' 38' ' ' ALA . 2.1 m-20 -55.75 -60.42 3.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.236 -0.438 . . . . 63.200000000000003 110.85 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.637 HG22 ' HB2' ' A' ' 32' ' ' PHE . 82.1 p -51.46 -53.76 33.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 71.239999999999995 111.14 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 77.6 t -54.45 -45.37 70.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 53.149999999999999 111.141 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -53.93 -46.52 71.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 74.030000000000001 110.881 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.474 HD12 ' CE2' ' A' ' 32' ' ' PHE . 44.1 mt -60.51 -49.33 78.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 51.140000000000001 110.907 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.766 HG13 HG21 ' A' ' 58' ' ' ILE . 98.6 t -49.69 -50.25 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 73.209999999999994 111.14 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 67.1 mtp -59.87 -45.67 91.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 75.420000000000002 110.889 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.69 -33.16 63.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 72.420000000000002 111.142 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.544 HD22 HG21 ' A' ' 76' ' ' VAL . 83.4 mt -72.07 -50.3 29.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 71.200000000000003 110.874 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -73.25 -7.4 51.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 62.399999999999999 110.862 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 55.1 tt0 -101.13 -43.52 5.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 63.329999999999998 110.879 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -88.85 -50.99 5.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 74.319999999999993 110.912 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.46 ' CB ' HG23 ' A' ' 56' ' ' THR . 34.4 m-85 -85.67 -6.81 59.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 72.040000000000006 110.875 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 51.14 37.8 19.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 74.319999999999993 110.82 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.46 HG23 ' CB ' ' A' ' 54' ' ' PHE . 43.5 p -86.87 141.24 28.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 60.409999999999997 111.15 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -74.76 85.86 2.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 72.450000000000003 110.903 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.766 HG21 HG13 ' A' ' 47' ' ' VAL . 49.0 mm -110.19 80.23 1.82 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.628 0.728 . . . . 72.120000000000005 111.143 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -167.32 0.22 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.662 2.241 . . . . 64.230000000000004 112.361 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -63.48 -53.15 56.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 45.210000000000001 110.876 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -52.05 -48.1 64.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 73.519999999999996 110.939 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -73.02 -24.37 60.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 72.5 110.893 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.32 -24.35 59.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 74.420000000000002 111.084 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 -82.38 -29.88 30.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 71.549999999999997 110.88 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.6 ptmm? -86.64 -33.38 20.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 75.239999999999995 110.897 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 33.2 mm -89.75 77.53 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 72.319999999999993 111.125 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.3 t -124.32 13.22 8.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 74.439999999999998 111.142 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.666 HG22 ' OG ' ' A' ' 31' ' ' SER . 15.4 p -132.85 153.2 51.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 71.120000000000005 111.17 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 60.5 t -51.41 -60.7 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 74.049999999999997 111.172 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -51.84 -42.81 62.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 42.5 110.93 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.33 -45.4 93.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 40.030000000000001 111.101 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.94 -58.04 5.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 40.219999999999999 111.108 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 3.1 tp -53.73 -32.87 22.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 73.439999999999998 111.143 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -70.06 -50.53 40.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 72.510000000000005 110.859 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -54.3 -61.01 2.58 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.233 -0.439 . . . . 72.340000000000003 110.917 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.544 HG21 HD22 ' A' ' 50' ' ' LEU . 39.3 t -53.91 -51.19 47.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.501 . . . . 73.340000000000003 111.106 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -52.31 -35.73 51.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 55.340000000000003 110.887 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.6 t -80.42 -28.88 37.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 51.25 110.871 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 23.2 m80 -100.85 51.35 0.86 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 64.129999999999995 110.886 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.468 . . . . 74.230000000000004 110.903 -179.926 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.3 p . . . . . 0 N--CA 1.458 -0.051 0 CA-C-O 120.892 0.377 . . . . 63.299999999999997 110.884 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -55.63 -58.51 7.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 71.209999999999994 110.898 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.581 HG23 ' CZ ' ' A' ' 54' ' ' PHE . 6.8 mt -54.15 -42.2 54.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 55.509999999999998 111.077 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -50.8 -54.05 26.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 71.310000000000002 110.844 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.9 tp10 -64.1 -32.39 73.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 73.519999999999996 110.873 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.701 ' O ' HD12 ' A' ' 14' ' ' ILE . 0.0 OUTLIER -66.55 -66.14 0.59 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 74.510000000000005 110.891 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.464 HG13 ' N ' ' A' ' 12' ' ' LYS . 8.6 p -49.58 -43.43 18.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 71.510000000000005 111.103 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.611 ' O ' HG23 ' A' ' 16' ' ' VAL . 1.4 mptm? -62.28 -49.06 77.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 75.310000000000002 110.88 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -50.92 -48.18 60.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 75.099999999999994 110.906 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.701 HD12 ' O ' ' A' ' 10' ' ' ARG . 3.0 mt -61.84 -58.39 7.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 62.399999999999999 111.111 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.444 ' CD1' HG22 ' A' ' 11' ' ' VAL . 49.4 mt -51.35 -30.97 11.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 73.400000000000006 111.144 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 12' ' ' LYS . 81.2 t -80.57 -32.61 13.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 74.430000000000007 111.113 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -80.3 -18.93 47.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 34.439999999999998 110.872 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.3 mm100 -93.27 -58.48 2.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 65.019999999999996 110.943 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.729 HD11 ' OD1' ' A' ' 42' ' ' ASP . 10.6 mp -76.48 -49.03 17.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 74.540000000000006 110.871 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 109.36 -20.69 27.62 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.731 -0.747 . . . . 53.100000000000001 112.458 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 29.3 m -54.87 172.47 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.875 0.369 . . . . 72.209999999999994 111.1 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.627 ' O ' HG23 ' A' ' 26' ' ' VAL . 12.2 t0 -83.1 130.09 35.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 55.399999999999999 110.836 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.59 ' HB3' HG21 ' A' ' 16' ' ' VAL . 1.6 pp20? -51.97 -30.14 23.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 54.520000000000003 110.912 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.75 -58.84 4.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 45.329999999999998 111.094 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -54.77 -27.18 39.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 43.229999999999997 110.873 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 22' ' ' ASP . 65.7 t -69.45 87.75 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 72.430000000000007 111.113 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -69.79 145.83 51.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 62.140000000000001 110.859 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -66.43 -38.31 87.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.463 . . . . 61.229999999999997 110.875 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -90.81 52.62 2.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 71.239999999999995 110.885 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.543 ' HB1' ' CG ' ' A' ' 35' ' ' ASP . . . -142.85 139.12 30.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 63.100000000000001 111.092 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.457 ' CB ' HG22 ' A' ' 68' ' ' THR . 5.3 m -80.11 162.75 24.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 43.340000000000003 110.882 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.684 ' HA ' HD12 ' A' ' 36' ' ' LEU . 16.7 m-85 -72.57 -23.49 60.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 74.25 110.892 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.492 HG22 ' C ' ' A' ' 38' ' ' ALA . 60.3 t -127.15 -49.06 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 75.25 111.162 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -53.36 -28.58 29.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 74.310000000000002 110.917 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.543 ' CG ' ' HB1' ' A' ' 30' ' ' ALA . 26.5 t70 -110.49 -71.26 0.77 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 71.239999999999995 110.876 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.684 HD12 ' HA ' ' A' ' 32' ' ' PHE . 30.6 mt -53.9 -61.6 2.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 72.329999999999998 110.959 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 120.55 21.97 3.19 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.702 -0.761 . . . . 61.420000000000002 112.441 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.529 ' HB1' ' CB ' ' A' ' 42' ' ' ASP . . . -72.59 -174.54 1.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.761 0.315 . . . . 74.310000000000002 111.076 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -114.46 175.3 5.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 74.200000000000003 110.83 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 26.3 t -52.16 -42.76 63.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 60.32 110.832 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.7 tp -56.4 -32.0 64.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 73.239999999999995 110.904 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.729 ' OD1' HD11 ' A' ' 19' ' ' LEU . 5.4 t70 -66.68 -55.62 14.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 72.140000000000001 110.843 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.51 HG22 ' HD2' ' A' ' 32' ' ' PHE . 34.6 p -53.05 -54.67 31.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 60.310000000000002 111.094 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 27.7 m -57.47 -37.28 56.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 62.130000000000003 111.139 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -58.8 -48.38 81.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 72.140000000000001 110.852 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.548 HD12 ' CE2' ' A' ' 32' ' ' PHE . 26.9 mt -62.37 -46.16 89.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.45 . . . . 61.439999999999998 110.958 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.579 HG13 HG21 ' A' ' 58' ' ' ILE . 97.2 t -51.32 -49.29 31.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 74.239999999999995 111.089 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.6 mmt -62.42 -45.58 92.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 73.049999999999997 110.851 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.37 -29.3 63.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 61.229999999999997 111.115 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 77.9 mt -75.59 -55.59 5.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.457 . . . . 73.129999999999995 110.958 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -61.82 -17.32 55.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 72.430000000000007 110.831 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.5 tm-20 -95.28 -57.09 2.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 74.319999999999993 110.903 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -66.86 -55.81 13.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 73.099999999999994 110.855 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.581 ' CZ ' HG23 ' A' ' 7' ' ' ILE . 25.2 m-85 -79.32 -2.23 40.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 72.430000000000007 110.903 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 51.88 39.87 26.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 75.329999999999998 110.884 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.448 HG23 ' HB3' ' A' ' 54' ' ' PHE . 38.6 p -96.22 166.02 11.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 64.239999999999995 111.123 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -103.38 84.97 2.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 74.400000000000006 110.903 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.579 HG21 HG13 ' A' ' 47' ' ' VAL . 50.5 mm -111.4 79.48 2.25 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.61 0.719 . . . . 52.109999999999999 111.144 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -170.35 0.39 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.706 2.271 . . . . 72.299999999999997 112.311 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -54.52 -45.08 73.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 72.109999999999999 110.864 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -56.81 -63.98 1.03 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 75.129999999999995 110.844 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.12 -18.23 56.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 71.439999999999998 110.889 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.38 -31.57 48.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 74.319999999999993 111.085 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -75.09 -31.99 61.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 72.409999999999997 110.88 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.3 ptmt -82.8 -32.08 27.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 73.239999999999995 110.838 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 40.5 mm -92.78 82.62 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 74.209999999999994 111.1 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.0 t -125.18 21.19 8.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 64.420000000000002 111.135 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.457 HG22 ' CB ' ' A' ' 31' ' ' SER . 33.9 p -147.68 153.79 39.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 61.109999999999999 111.184 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 97.7 t -51.68 -60.56 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.439 . . . . 73.430000000000007 111.15 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -51.22 -40.36 58.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 75.310000000000002 110.905 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.1 -48.08 77.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 55.340000000000003 111.096 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.88 -56.48 15.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 72.420000000000002 111.077 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.441 HD13 HG11 ' A' ' 11' ' ' VAL . 5.4 tp -54.58 -32.86 25.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 75.409999999999997 111.127 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -69.19 -45.97 68.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.446 . . . . 75.140000000000001 110.795 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.42 ' CE1' HD11 ' A' ' 58' ' ' ILE . 3.0 t80 -59.6 -61.6 2.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 63.119999999999997 110.935 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 60.8 t -52.58 -50.26 41.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 61.119999999999997 111.143 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -58.08 -32.98 68.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 75.439999999999998 110.916 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 29.0 t -77.75 -32.44 52.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 63.340000000000003 110.89 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 13.0 m80 -99.79 33.58 2.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 73.439999999999998 110.875 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 70.040000000000006 110.972 -179.976 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 p . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.853 0.359 . . . . 63.350000000000001 110.867 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -68.47 -56.75 7.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.479 . . . . 72.219999999999999 110.908 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.659 ' O ' HG23 ' A' ' 11' ' ' VAL . 97.1 mt -51.57 -52.08 22.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 74.329999999999998 111.167 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -50.91 -53.28 34.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 62.329999999999998 110.906 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -58.83 -54.59 45.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 33.439999999999998 110.908 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.695 ' O ' HD12 ' A' ' 14' ' ' ILE . 3.8 mtp85 -51.52 -53.84 33.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 63.109999999999999 110.855 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.744 ' O ' HD12 ' A' ' 15' ' ' ILE . 95.1 t -48.65 -58.63 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 73.340000000000003 111.114 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.672 ' O ' HG23 ' A' ' 16' ' ' VAL . 39.0 mmtm -51.13 -47.21 62.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 61.109999999999999 110.889 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.7 ttpt -51.89 -56.14 15.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 70.430000000000007 110.889 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.695 HD12 ' O ' ' A' ' 10' ' ' ARG . 3.0 mt -50.68 -56.58 4.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.454 . . . . 74.329999999999998 111.108 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.744 HD12 ' O ' ' A' ' 11' ' ' VAL . 3.1 mt -54.82 -28.26 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 64.540000000000006 111.123 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.672 HG23 ' O ' ' A' ' 12' ' ' LYS . 79.4 t -82.16 -24.93 9.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 64.230000000000004 111.136 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -91.53 -15.83 28.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 73.200000000000003 110.883 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -96.26 -53.54 3.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 62.32 110.922 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -83.87 -36.98 23.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.236 -0.438 . . . . 74.129999999999995 110.886 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.09 -18.92 55.81 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.742 . . . . 72.310000000000002 112.496 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 20.4 m -58.8 178.65 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.837 0.351 . . . . 63.520000000000003 111.122 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.54 ' O ' HG23 ' A' ' 26' ' ' VAL . 20.0 m-20 -83.41 139.34 33.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 73.310000000000002 110.909 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.542 ' HB3' HG21 ' A' ' 16' ' ' VAL . 10.2 pt-20 -63.37 -24.84 68.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 71.340000000000003 110.878 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.92 -63.24 1.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 53.43 111.134 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -52.08 -29.89 23.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 71.109999999999999 110.902 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 22' ' ' ASP . 90.4 t -69.94 101.13 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 65.140000000000001 111.159 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 52.6 mttt -98.59 173.27 7.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 61.439999999999998 110.904 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -95.33 14.0 23.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 52.439999999999998 110.891 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -123.16 23.75 9.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 74.239999999999995 110.897 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -124.52 -175.02 3.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 65.340000000000003 111.124 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.758 ' O ' HD23 ' A' ' 36' ' ' LEU . 15.4 m -128.59 -169.8 2.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 75.340000000000003 110.846 -179.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.62 ' HD2' HG22 ' A' ' 43' ' ' THR . 6.6 m-85 -100.65 -40.92 7.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 73.430000000000007 110.915 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.678 HG23 ' O ' ' A' ' 38' ' ' ALA . 7.6 p -122.93 -34.74 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 71.140000000000001 111.126 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -60.52 -26.15 66.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 62.549999999999997 110.876 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -123.11 -65.77 1.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 64.129999999999995 110.898 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.758 HD23 ' O ' ' A' ' 31' ' ' SER . 3.7 mm? -51.83 -36.84 49.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 74.519999999999996 110.965 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.32 18.56 57.07 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.726 -0.749 . . . . 65.140000000000001 112.462 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.678 ' O ' HG23 ' A' ' 33' ' ' VAL . . . -63.95 -169.55 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.807 0.337 . . . . 55.299999999999997 111.076 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -108.42 -176.96 3.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 72.430000000000007 110.888 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.6 t -66.44 -38.03 86.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 75.329999999999998 110.888 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.9 tp -56.65 -35.2 68.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 50.219999999999999 110.953 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -61.99 -59.63 4.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 45.420000000000002 110.907 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.62 HG22 ' HD2' ' A' ' 32' ' ' PHE . 19.0 p -51.45 -53.06 40.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 63.340000000000003 111.153 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 57.7 t -57.67 -35.62 51.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 70.319999999999993 111.139 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -61.27 -49.87 75.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 75.25 110.93 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.557 HD12 ' CE2' ' A' ' 32' ' ' PHE . 23.0 mt -62.99 -46.3 88.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.096 -0.502 . . . . 73.030000000000001 110.905 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.789 HG13 HG21 ' A' ' 58' ' ' ILE . 91.2 t -51.2 -50.88 24.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 71.400000000000006 111.089 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 16.1 mtp -60.42 -49.37 77.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 73.530000000000001 110.878 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.43 -29.17 48.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 33.43 111.049 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.632 HD12 ' HA ' ' A' ' 47' ' ' VAL . 14.8 mt -75.66 -49.31 18.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 74.439999999999998 110.942 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -73.81 -7.02 50.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 73.510000000000005 110.86 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -104.6 -42.26 5.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 65.219999999999999 110.867 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -87.13 -45.72 10.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 72.099999999999994 110.875 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -94.52 -1.58 53.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 70.099999999999994 110.851 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 50.95 30.78 5.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 62.100000000000001 110.877 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.75 HG21 HG12 ' A' ' 76' ' ' VAL . 5.0 t -91.36 120.03 31.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 73.120000000000005 111.142 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -59.4 134.94 57.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.43 . . . . 75.200000000000003 110.879 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.789 HG21 HG13 ' A' ' 47' ' ' VAL . 32.6 mm -144.49 81.99 10.79 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.577 0.703 . . . . 63.210000000000001 111.15 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -165.84 0.17 Allowed 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.627 2.218 . . . . 71.540000000000006 112.376 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -69.72 -52.15 28.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 75.319999999999993 110.903 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -54.39 -32.4 57.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 75.230000000000004 110.914 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -89.59 -24.93 21.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 73.420000000000002 110.941 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.18 -25.58 61.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 73.099999999999994 111.139 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -80.25 -34.51 37.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 72.0 110.864 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.7 pttp -81.3 -32.84 32.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 73.109999999999999 110.895 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 48.6 mm -89.83 95.05 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 74.430000000000007 111.192 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 80.7 p -141.17 20.45 2.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 65.310000000000002 111.145 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.446 HG22 ' HB3' ' A' ' 31' ' ' SER . 17.7 p -144.84 167.8 21.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.182 -0.463 . . . . 74.439999999999998 111.118 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 67.8 t -61.45 -60.5 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 71.299999999999997 111.162 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 8.2 tp60 -50.7 -45.04 58.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 63.229999999999997 110.893 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.61 -42.9 97.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 73.310000000000002 111.107 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.02 -59.61 2.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 65.319999999999993 111.153 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.531 HD12 HG21 ' A' ' 11' ' ' VAL . 5.4 tp -52.36 -34.64 18.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 64.299999999999997 111.114 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -69.95 -46.01 66.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.45 . . . . 74.329999999999998 110.848 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.463 ' CZ ' HD13 ' A' ' 58' ' ' ILE . 4.8 t80 -56.74 -59.02 5.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 75.010000000000005 110.926 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.75 HG12 HG21 ' A' ' 56' ' ' THR . 21.3 m -58.96 -39.1 77.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 54.32 111.121 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -58.67 -38.82 79.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 71.040000000000006 110.893 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 65.0 p -81.39 -26.38 35.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 62.539999999999999 110.875 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 17.4 m80 -97.83 60.94 1.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 74.420000000000002 110.826 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 71.310000000000002 110.927 -179.937 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.4 t . . . . . 0 C--O 1.23 0.045 0 CA-C-O 120.895 0.379 . . . . 64.230000000000004 110.85 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -63.02 -50.78 69.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 72.120000000000005 110.882 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.673 ' O ' HG23 ' A' ' 11' ' ' VAL . 55.7 mt -51.33 -52.54 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 73.5 111.135 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -50.56 -54.75 20.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 55.240000000000002 110.907 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -58.76 -50.35 74.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 63.049999999999997 110.876 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -54.96 -62.92 1.34 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 65.239999999999995 110.898 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.706 ' O ' HD12 ' A' ' 15' ' ' ILE . 45.3 t -45.71 -55.14 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 65.340000000000003 111.157 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.573 ' O ' HG23 ' A' ' 16' ' ' VAL . 3.4 mmtp -50.2 -39.14 43.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 73.140000000000001 110.85 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.5 ttmt -66.36 -36.2 82.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 71.430000000000007 110.938 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 9.6 mm -63.11 -50.19 80.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 44.5 111.118 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.706 HD12 ' O ' ' A' ' 11' ' ' VAL . 3.6 mp -64.21 -37.62 80.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 74.540000000000006 111.117 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 12' ' ' LYS . 98.8 t -74.69 -23.63 17.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 51.32 111.132 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -89.29 -25.62 21.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 74.519999999999996 110.887 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -91.33 -65.1 1.04 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 73.019999999999996 110.913 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 58.2 mt -61.02 -49.17 78.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.464 . . . . 54.210000000000001 110.897 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.58 19.26 20.89 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.732 -0.747 . . . . 62.100000000000001 112.485 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.497 ' O ' HG13 ' A' ' 16' ' ' VAL . 26.8 m -107.31 -178.7 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.835 0.35 . . . . 63.420000000000002 111.104 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -88.7 141.19 28.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 64.239999999999995 110.844 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -52.17 -31.91 33.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 72.109999999999999 110.902 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.59 -30.09 19.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 52.0 111.098 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -68.48 -41.32 80.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 74.010000000000005 110.912 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.402 HG13 HG11 ' A' ' 69' ' ' VAL . 57.5 t -65.55 100.7 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 63.299999999999997 111.141 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.6 mttp -92.93 -0.14 57.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 71.230000000000004 110.894 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 20.8 m120 59.25 19.53 7.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 72.109999999999999 110.838 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -129.92 7.78 5.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 74.200000000000003 110.881 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.724 ' HB1' ' CB ' ' A' ' 35' ' ' ASP . . . -127.41 -177.17 3.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 62.43 111.054 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.58 ' HB3' HG22 ' A' ' 68' ' ' THR . 2.3 m -112.75 -177.56 3.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 71.019999999999996 110.837 -179.757 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.564 ' HB2' HG22 ' A' ' 43' ' ' THR . 11.4 m-85 -84.14 -33.64 24.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 73.439999999999998 110.861 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 38' ' ' ALA . 9.1 p -121.63 -33.83 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 62.539999999999999 111.165 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -63.39 -22.98 67.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 72.140000000000001 110.877 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.724 ' CB ' ' HB1' ' A' ' 30' ' ' ALA . 9.9 t70 -120.12 -74.01 0.63 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 74.409999999999997 110.894 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 44.1 mt -51.54 -33.89 34.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 63.32 110.875 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 85.52 21.09 55.16 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.723 -0.751 . . . . 73.439999999999998 112.496 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.693 ' O ' HG23 ' A' ' 33' ' ' VAL . . . -61.72 -169.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.823 0.344 . . . . 51.210000000000001 111.085 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -113.48 -179.23 3.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 72.200000000000003 110.876 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.434 ' O ' HG23 ' A' ' 44' ' ' VAL . 40.7 m -63.42 -38.08 89.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 64.019999999999996 110.862 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.0 tp -57.99 -34.92 70.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 53.530000000000001 110.941 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -66.71 -59.31 3.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 60.539999999999999 110.895 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.564 HG22 ' HB2' ' A' ' 32' ' ' PHE . 41.0 p -51.71 -52.87 45.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 72.420000000000002 111.15 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 40' ' ' SER . 58.1 t -58.37 -38.96 72.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 65.439999999999998 111.151 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -58.01 -46.47 85.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 73.120000000000005 110.892 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.557 HD12 ' CE2' ' A' ' 32' ' ' PHE . 30.6 mt -62.69 -49.41 75.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 75.140000000000001 110.923 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.69 HG13 HG21 ' A' ' 58' ' ' ILE . 98.0 t -51.24 -50.49 26.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 74.340000000000003 111.143 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.09 -41.07 95.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 74.140000000000001 110.903 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.63 -33.17 71.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 74.349999999999994 111.103 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.812 HD22 HG21 ' A' ' 76' ' ' VAL . 75.9 mt -72.84 -56.33 5.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 60.439999999999998 110.93 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.42 -12.98 57.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 73.109999999999999 110.918 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -94.37 -52.98 4.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 74.310000000000002 110.926 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.56 -57.25 3.96 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.17 -0.468 . . . . 71.140000000000001 110.905 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.575 ' HB3' HG23 ' A' ' 56' ' ' THR . 27.2 m-85 -75.18 -5.94 47.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 74.209999999999994 110.863 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 52.09 37.51 21.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 75.430000000000007 110.82 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.575 HG23 ' HB3' ' A' ' 54' ' ' PHE . 50.9 p -87.93 165.27 15.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 71.019999999999996 111.152 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -98.44 85.17 3.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 75.540000000000006 110.909 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.69 HG21 HG13 ' A' ' 47' ' ' VAL . 51.4 mm -111.62 77.8 1.89 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.6 0.714 . . . . 74.120000000000005 111.146 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -170.15 0.37 Allowed 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.732 2.288 . . . . 71.230000000000004 112.343 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -53.74 -48.98 69.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 71.129999999999995 110.883 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 82.0 mt-10 -54.42 -66.84 0.33 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 74.019999999999996 110.904 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -55.28 -25.65 35.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 74.299999999999997 110.85 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.31 -28.48 61.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 22.440000000000001 111.102 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -79.01 -33.98 44.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 74.329999999999998 110.892 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -81.06 -32.65 33.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 75.540000000000006 110.908 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.4 HD11 ' HD2' ' A' ' 75' ' ' TYR . 30.6 mm -90.06 85.23 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 54.539999999999999 111.167 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.0 t -128.07 19.75 6.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 55.200000000000003 111.175 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.58 HG22 ' HB3' ' A' ' 31' ' ' SER . 16.9 p -139.74 175.87 9.21 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.185 -0.462 . . . . 73.450000000000003 111.129 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.402 HG11 HG13 ' A' ' 26' ' ' VAL . 16.4 t -73.19 -63.33 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 62.409999999999997 111.126 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.422 ' HA ' HG22 ' A' ' 73' ' ' ILE . 6.3 tp-100 -50.81 -39.19 52.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 60.530000000000001 110.863 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.02 -43.83 94.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 54.229999999999997 111.104 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.91 -57.23 5.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 73.150000000000006 111.107 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.666 HD12 HG21 ' A' ' 11' ' ' VAL . 6.5 tp -53.91 -33.89 24.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 75.409999999999997 111.11 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -69.52 -50.22 47.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 63.350000000000001 110.877 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.4 ' CE1' HD11 ' A' ' 58' ' ' ILE . 2.4 t80 -54.11 -62.42 1.67 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 73.239999999999995 110.877 -179.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.812 HG21 HD22 ' A' ' 50' ' ' LEU . 85.2 t -52.69 -50.57 40.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.49 . . . . 74.099999999999994 111.179 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.652 ' HA ' HD13 ' A' ' 7' ' ' ILE . 23.9 t-20 -58.62 -26.5 63.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 71.239999999999995 110.855 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.9 t -83.88 -35.62 23.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 61.009999999999998 110.87 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 17.1 m80 -96.95 54.59 1.27 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.082 -0.508 . . . . 63.350000000000001 110.856 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 71.120000000000005 110.949 -179.956 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 m . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.869 0.366 . . . . 65.329999999999998 110.826 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -61.4 -55.04 35.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 64.329999999999998 110.873 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.633 ' O ' HG23 ' A' ' 11' ' ' VAL . 31.5 mt -51.59 -43.37 32.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 71.319999999999993 111.175 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -52.13 -58.46 6.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.463 . . . . 74.5 110.926 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 23.2 tp10 -60.03 -41.75 92.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 74.310000000000002 110.881 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.9 mmp_? -59.35 -65.89 0.6 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 65.299999999999997 110.876 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.731 ' O ' HD12 ' A' ' 15' ' ' ILE . 39.9 t -45.79 -47.5 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 55.030000000000001 111.139 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.68 ' O ' HG23 ' A' ' 16' ' ' VAL . 2.1 mptp? -51.67 -52.77 45.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 73.530000000000001 110.886 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.3 ttmm -54.04 -38.64 65.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.424 . . . . 72.329999999999998 110.901 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 11.8 mm -59.62 -64.32 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 74.329999999999998 111.127 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.731 HD12 ' O ' ' A' ' 11' ' ' VAL . 3.3 mp -51.32 -28.82 8.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 74.310000000000002 111.104 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.68 HG23 ' O ' ' A' ' 12' ' ' LYS . 78.4 t -72.78 -54.53 15.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 51.109999999999999 111.133 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -60.29 -24.78 65.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 72.340000000000003 110.88 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.0 mm100 -82.84 -48.42 10.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 70.310000000000002 110.954 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.598 HD21 ' HB3' ' A' ' 36' ' ' LEU . 8.9 mp -89.17 -75.46 0.44 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 73.409999999999997 110.931 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 137.4 -17.04 3.56 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.738 -0.744 . . . . 52.43 112.489 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 22.7 m -60.11 -179.15 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.835 0.35 . . . . 64.430000000000007 111.125 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.55 127.76 34.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 71.329999999999998 110.863 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.41 -29.92 26.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 62.210000000000001 110.888 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.74 -45.9 84.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 64.030000000000001 111.111 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -60.85 -29.98 69.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 74.430000000000007 110.892 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 24.5 t -66.84 118.4 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 62.119999999999997 111.13 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.9 mtmt -104.25 165.97 10.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 75.140000000000001 110.887 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -77.04 -26.86 54.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 73.400000000000006 110.871 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -95.75 25.53 4.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 74.120000000000005 110.856 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.63 156.56 16.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 24.440000000000001 111.098 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.541 ' HA ' HG22 ' A' ' 68' ' ' THR . 8.3 t -91.29 -169.61 2.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 53.32 110.864 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.605 ' HD2' HG22 ' A' ' 43' ' ' THR . 3.3 m-30 -108.0 -22.59 12.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 74.040000000000006 110.867 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 19.1 m -135.13 -39.73 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.472 . . . . 51.119999999999997 111.128 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -64.58 -27.14 68.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 62.229999999999997 110.902 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -109.55 -44.2 3.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 62.43 110.862 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.598 ' HB3' HD21 ' A' ' 19' ' ' LEU . 14.7 mt -77.0 -4.37 43.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 72.129999999999995 110.945 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 61.75 15.8 49.24 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.684 -0.77 . . . . 71.040000000000006 112.506 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -80.98 -170.69 2.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.821 0.343 . . . . 74.430000000000007 111.077 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -135.13 -77.78 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 74.439999999999998 110.849 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.621 ' O ' HG23 ' A' ' 44' ' ' VAL . 2.8 m -133.1 -40.76 0.91 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 73.299999999999997 110.88 -179.753 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.587 HD12 ' N ' ' A' ' 42' ' ' ASP . 3.2 pp -51.64 -31.15 24.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 65.120000000000005 110.931 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.587 ' N ' HD12 ' A' ' 41' ' ' LEU . 4.3 t70 -69.16 -65.52 0.7 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 71.200000000000003 110.886 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.605 HG22 ' HD2' ' A' ' 32' ' ' PHE . 42.4 p -49.29 -40.94 36.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 71.340000000000003 111.109 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 40' ' ' SER . 79.3 t -61.99 -50.06 81.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 52.310000000000002 111.102 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.05 -38.28 90.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 74.230000000000004 110.855 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.419 HD22 HG13 ' A' ' 15' ' ' ILE . 57.6 mt -67.64 -59.23 3.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.184 -0.462 . . . . 52.420000000000002 110.931 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.607 HG13 ' CG2' ' A' ' 58' ' ' ILE . 89.3 t -50.42 -43.55 22.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 54.130000000000003 111.142 179.783 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 7.9 mtt -70.57 -41.37 72.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 75.310000000000002 110.868 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.54 -25.57 66.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 43.32 111.107 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 84.3 mt -83.9 -55.69 4.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 64.109999999999999 110.915 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -59.41 -20.49 55.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 73.099999999999994 110.888 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 -92.5 -56.83 2.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 74.329999999999998 110.917 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 25.8 tp10 -66.55 -61.62 1.89 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 74.439999999999998 110.951 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.494 ' HB3' HG23 ' A' ' 56' ' ' THR . 17.3 m-85 -70.5 -10.92 60.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 61.229999999999997 110.885 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 59.46 41.2 19.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 60.310000000000002 110.836 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.494 HG23 ' HB3' ' A' ' 54' ' ' PHE . 76.0 p -99.17 166.91 11.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 75.409999999999997 111.087 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -101.63 85.57 2.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 64.209999999999994 110.879 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.607 ' CG2' HG13 ' A' ' 47' ' ' VAL . 48.1 mm -111.33 79.07 2.04 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.616 0.722 . . . . 61.200000000000003 111.146 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -170.91 0.42 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.71 2.274 . . . . 71.439999999999998 112.327 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -54.57 -47.12 73.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 72.099999999999994 110.851 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -55.38 -63.91 1.01 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 74.010000000000005 110.87 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -60.59 -19.12 56.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 73.349999999999994 110.874 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.28 -29.12 47.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 64.319999999999993 111.101 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -78.76 -34.74 45.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 65.349999999999994 110.886 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.1 pttt -76.39 -36.03 58.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 74.319999999999993 110.904 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 38.6 mm -84.18 82.83 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 73.510000000000005 111.145 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 44.0 p -124.49 21.97 8.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 64.349999999999994 111.127 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.541 HG22 ' HA ' ' A' ' 31' ' ' SER . 40.1 p -152.15 151.8 31.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 75.030000000000001 111.085 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 42.3 t -51.26 -58.25 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 75.040000000000006 111.119 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.26 -44.94 61.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 75.109999999999999 110.884 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.11 -47.59 85.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 63.119999999999997 111.149 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.76 -59.33 4.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 74.200000000000003 111.119 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 2.7 tp -53.12 -32.37 18.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 74.319999999999993 111.078 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -70.48 -41.47 72.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 64.5 110.869 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.402 ' CE1' HD11 ' A' ' 58' ' ' ILE . 4.6 t80 -61.38 -57.73 11.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 71.219999999999999 110.927 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 58.2 t -59.59 -37.87 72.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 71.430000000000007 111.1 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -75.05 -18.53 60.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 63.450000000000003 110.867 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 46.9 t -92.81 -22.68 19.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 73.120000000000005 110.866 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 5.5 m80 -97.23 -39.05 9.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 75.310000000000002 110.86 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 64.200000000000003 110.91 -179.934 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 N--CA 1.458 -0.056 0 CA-C-O 120.873 0.368 . . . . 62.240000000000002 110.885 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -71.53 -55.84 7.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 75.140000000000001 110.921 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.453 ' O ' HG23 ' A' ' 11' ' ' VAL . 24.4 mt -52.39 -44.9 44.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 64.099999999999994 111.117 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -50.85 -63.91 0.98 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 70.140000000000001 110.888 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -56.64 -37.03 70.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 73.219999999999999 110.938 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.759 ' O ' HD12 ' A' ' 14' ' ' ILE . 9.6 tpp180 -60.02 -67.14 0.42 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 71.420000000000002 110.827 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.971 HG21 HD12 ' A' ' 73' ' ' ILE . 39.8 t -48.85 -55.31 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 74.040000000000006 111.129 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.596 ' O ' HG23 ' A' ' 16' ' ' VAL . 37.7 mmtm -50.59 -39.49 49.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 61.310000000000002 110.923 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.3 ttpt -61.03 -50.45 73.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 73.209999999999994 110.9 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.759 HD12 ' O ' ' A' ' 10' ' ' ARG . 2.8 mp -61.05 -46.23 97.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 70.439999999999998 111.154 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.532 ' CD1' HG12 ' A' ' 11' ' ' VAL . 50.1 mt -60.21 -32.84 51.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 74.140000000000001 111.164 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.678 HG13 ' O ' ' A' ' 21' ' ' VAL . 92.6 t -84.09 -24.42 7.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 75.329999999999998 111.112 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -87.5 -17.39 32.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 70.430000000000007 110.873 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -98.29 -47.49 5.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 64.209999999999994 110.919 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.738 HD21 ' CG ' ' A' ' 42' ' ' ASP . 58.1 mt -87.97 -43.24 11.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 73.150000000000006 110.952 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.3 -17.67 43.38 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.743 -0.742 . . . . 74.439999999999998 112.469 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.678 ' O ' HG13 ' A' ' 16' ' ' VAL . 18.4 m -60.62 -173.33 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.817 0.341 . . . . 73.230000000000004 111.139 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -98.62 144.08 28.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 64.420000000000002 110.847 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -70.27 -10.84 60.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 70.25 110.894 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.16 -37.41 18.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 55.32 111.116 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -76.65 -36.08 57.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 71.209999999999994 110.964 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 9.7 p -62.98 136.51 25.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.093 -0.503 . . . . 71.209999999999994 111.145 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 68.6 mmtt -103.98 -174.82 2.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 72.019999999999996 110.908 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.414 ' HA ' HG11 ' A' ' 69' ' ' VAL . 7.8 m120 -109.68 -43.55 4.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 75.430000000000007 110.883 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -66.79 -34.1 77.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 74.329999999999998 110.91 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.679 ' HB1' ' HB2' ' A' ' 35' ' ' ASP . . . -65.3 162.0 18.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 51.219999999999999 111.092 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.626 ' HB3' HG22 ' A' ' 68' ' ' THR . 1.1 m -104.82 -179.34 3.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 73.230000000000004 110.872 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.574 ' HB2' HG22 ' A' ' 43' ' ' THR . 11.9 m-85 -76.91 -25.68 53.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 61.439999999999998 110.902 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.564 HG12 ' O ' ' A' ' 38' ' ' ALA . 15.7 m -127.71 -39.35 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 73.530000000000001 111.159 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -51.8 -34.38 39.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 64.349999999999994 110.868 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.679 ' HB2' ' HB1' ' A' ' 30' ' ' ALA . 1.5 m-20 -117.79 -60.58 1.79 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 64.540000000000006 110.829 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.591 HD23 ' CD1' ' A' ' 19' ' ' LEU . 7.3 mp -54.91 -26.57 36.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 64.439999999999998 110.891 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 70.07 22.52 77.27 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.75 -0.738 . . . . 71.120000000000005 112.499 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.564 ' O ' HG12 ' A' ' 33' ' ' VAL . . . -70.55 -170.02 0.37 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.789 0.328 . . . . 33.399999999999999 111.116 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -113.47 170.18 8.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 72.340000000000003 110.834 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.563 ' O ' HG23 ' A' ' 44' ' ' VAL . 1.0 OUTLIER -52.98 -33.71 52.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 70.239999999999995 110.866 -179.763 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.3 tp -59.28 -40.13 85.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 63.420000000000002 110.936 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.738 ' CG ' HD21 ' A' ' 19' ' ' LEU . 4.5 t0 -60.65 -56.8 16.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 74.040000000000006 110.869 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.603 ' O ' HG23 ' A' ' 47' ' ' VAL . 62.6 p -51.17 -53.31 35.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 51.439999999999998 111.155 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 40' ' ' SER . 48.1 t -55.48 -38.44 49.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.229 -0.441 . . . . 71.129999999999995 111.114 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -60.85 -46.26 91.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 71.25 110.898 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 32.1 mt -65.71 -47.74 74.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 72.239999999999995 110.916 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.732 HG13 HG21 ' A' ' 58' ' ' ILE . 61.2 t -51.07 -48.39 30.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 63.32 111.102 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.03 -50.81 69.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 61.149999999999999 110.892 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.95 -25.9 32.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 51.32 111.1 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.735 HD22 HG11 ' A' ' 76' ' ' VAL . 65.2 mt -78.07 -52.59 8.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 73.329999999999998 110.904 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.28 -12.97 61.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 73.230000000000004 110.845 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -99.05 -48.62 4.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 62.020000000000003 110.893 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -77.56 -54.7 6.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 73.439999999999998 110.865 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -80.82 -4.95 56.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 74.439999999999998 110.939 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 50.86 41.56 26.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 33.210000000000001 110.877 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.7 t -101.74 129.13 47.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 75.209999999999994 111.167 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -62.66 115.51 4.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 73.109999999999999 110.861 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.732 HG21 HG13 ' A' ' 47' ' ' VAL . 38.7 mm -134.49 78.19 57.39 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.612 0.72 . . . . 71.420000000000002 111.151 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -176.3 1.46 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.684 2.256 . . . . 51.299999999999997 112.334 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -52.72 -49.1 66.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 75.340000000000003 110.884 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -53.48 -68.39 0.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 72.209999999999994 110.863 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -54.83 -26.17 33.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 64.310000000000002 110.844 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.23 -29.04 63.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 72.230000000000004 111.102 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -77.68 -34.05 53.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 64.209999999999994 110.894 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.9 ptmt -82.83 -32.78 27.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 74.019999999999996 110.883 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 38.7 mm -89.85 85.82 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 42.530000000000001 111.173 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 39.8 p -129.71 23.21 5.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 55.530000000000001 111.169 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.626 HG22 ' HB3' ' A' ' 31' ' ' SER . 19.3 p -141.6 171.69 13.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.186 -0.461 . . . . 72.310000000000002 111.126 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.477 HG22 ' HE1' ' A' ' 32' ' ' PHE . 92.3 t -70.26 -62.44 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.259 -0.428 . . . . 73.200000000000003 111.155 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -50.08 -39.01 41.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 73.430000000000007 110.899 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.95 -47.97 72.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 73.230000000000004 111.122 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.52 -55.03 27.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 73.140000000000001 111.053 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.971 HD12 HG21 ' A' ' 11' ' ' VAL . 1.2 tp -55.6 -35.85 40.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 63.119999999999997 111.136 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -69.05 -37.68 78.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 50.219999999999999 110.865 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -64.96 -62.93 1.26 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 64.25 110.946 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.735 HG11 HD22 ' A' ' 50' ' ' LEU . 17.0 m -54.34 -41.71 54.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 70.340000000000003 111.08 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -68.5 -28.62 67.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 52.530000000000001 110.911 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.1 t -81.08 -32.86 33.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 55.140000000000001 110.857 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 8.3 m80 -92.77 60.1 3.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 75.109999999999999 110.832 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 70.450000000000003 110.9 -179.915 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.3 p . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.845 0.355 . . . . 65.010000000000005 110.837 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -57.74 -57.95 10.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 63.310000000000002 110.9 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.63 ' O ' HG23 ' A' ' 11' ' ' VAL . 44.1 mt -57.09 -36.77 52.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 74.109999999999999 111.125 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -55.92 -54.95 38.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 75.430000000000007 110.843 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 49.9 tt0 -62.98 -36.21 82.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 73.510000000000005 110.862 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.682 ' O ' HD12 ' A' ' 14' ' ' ILE . 6.6 mtp85 -65.08 -63.52 1.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 63.020000000000003 110.895 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.744 ' O ' HD12 ' A' ' 15' ' ' ILE . 38.3 t -49.87 -57.55 2.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 73.140000000000001 111.138 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.619 ' O ' HG23 ' A' ' 16' ' ' VAL . 20.2 mmtp -50.55 -47.92 57.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 72.409999999999997 110.9 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.8 ttpt -50.17 -55.39 15.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 75.409999999999997 110.905 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.682 HD12 ' O ' ' A' ' 10' ' ' ARG . 2.9 mp -52.73 -59.19 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 71.549999999999997 111.084 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.744 HD12 ' O ' ' A' ' 11' ' ' VAL . 2.9 mp -52.89 -36.03 22.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 62.409999999999997 111.169 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.686 HG21 ' HB3' ' A' ' 23' ' ' GLU . 72.2 t -74.1 -25.08 19.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 54.030000000000001 111.14 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.9 mm-40 -87.55 -25.03 23.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 72.239999999999995 110.915 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -87.39 -65.35 1.02 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 75.310000000000002 110.946 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -55.77 -47.48 76.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 73.030000000000001 110.875 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 107.28 -16.87 37.98 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.769 -0.729 . . . . 55.119999999999997 112.485 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.429 ' O ' HG13 ' A' ' 16' ' ' VAL . 26.0 m -66.61 173.34 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.863 0.364 . . . . 61.32 111.094 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.66 139.69 31.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 63.020000000000003 110.89 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.686 ' HB3' HG21 ' A' ' 16' ' ' VAL . 2.6 pp20? -61.24 -18.17 57.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 75.230000000000004 110.9 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.2 -25.44 31.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 72.019999999999996 111.077 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -98.06 34.32 1.96 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 52.520000000000003 110.922 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.654 HG12 ' O ' ' A' ' 23' ' ' GLU . 7.8 p -134.39 150.55 30.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 51.340000000000003 111.15 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.0 mttm -133.35 169.48 16.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 63.229999999999997 110.922 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -83.15 -24.98 32.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.268 -0.423 . . . . 72.219999999999999 110.896 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -81.27 -8.48 59.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 74.209999999999994 110.898 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.24 -169.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 73.099999999999994 111.112 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.793 ' HA ' HG22 ' A' ' 68' ' ' THR . 19.0 m -132.19 -176.45 4.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 61.399999999999999 110.826 -179.775 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.764 ' CE2' HD12 ' A' ' 46' ' ' LEU . 3.1 m-30 -100.12 -12.68 19.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 74.219999999999999 110.881 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 38' ' ' ALA . 4.0 p -157.72 -45.0 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 62.530000000000001 111.102 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.43 ' N ' HG13 ' A' ' 33' ' ' VAL . 10.7 t70 -55.68 -27.03 47.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 73.450000000000003 110.842 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -110.67 -61.74 1.63 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 61.0 110.892 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.748 HD23 ' O ' ' A' ' 31' ' ' SER . 3.2 mm? -51.23 -63.43 1.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 71.340000000000003 110.906 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 126.68 3.04 6.62 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.729 -0.748 . . . . 73.329999999999998 112.494 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.654 ' O ' HG23 ' A' ' 33' ' ' VAL . . . -60.8 -168.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.818 0.342 . . . . 62.240000000000002 111.092 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -131.05 -79.09 0.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 71.439999999999998 110.833 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.441 ' O ' HG22 ' A' ' 44' ' ' VAL . 1.4 t -140.83 -43.75 0.39 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 72.409999999999997 110.83 -179.731 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -53.43 -28.38 29.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 62.229999999999997 110.92 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.444 ' HB3' ' HB1' ' A' ' 38' ' ' ALA . 5.1 t70 -70.37 -60.18 2.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 72.510000000000005 110.874 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.704 ' O ' HG23 ' A' ' 47' ' ' VAL . 3.0 p -48.7 -51.12 30.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.14 -0.482 . . . . 61.310000000000002 111.147 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.441 HG22 ' O ' ' A' ' 40' ' ' SER . 30.7 m -62.86 -38.05 80.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 41.119999999999997 111.123 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -60.13 -53.29 59.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 65.209999999999994 110.849 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.764 HD12 ' CE2' ' A' ' 32' ' ' PHE . 16.2 mt -57.24 -48.31 79.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 72.430000000000007 110.907 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.704 HG23 ' O ' ' A' ' 43' ' ' THR . 97.8 t -50.93 -48.66 28.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 64.430000000000007 111.101 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 3.4 mtt -61.77 -46.88 87.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 75.230000000000004 110.832 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.38 -29.64 61.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 54.100000000000001 111.08 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 81.8 mt -74.87 -54.91 6.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 73.219999999999999 110.935 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -64.09 -15.13 58.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 72.420000000000002 110.909 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -96.28 -55.71 2.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 74.129999999999995 110.888 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -69.44 -54.81 12.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.473 . . . . 72.200000000000003 110.848 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.559 ' HB3' HG23 ' A' ' 56' ' ' THR . 27.0 m-85 -81.22 -0.62 41.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 73.540000000000006 110.887 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 51.19 35.57 13.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 55.299999999999997 110.849 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.559 HG23 ' HB3' ' A' ' 54' ' ' PHE . 62.3 p -91.85 172.57 8.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.468 . . . . 72.329999999999998 111.133 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -114.54 86.44 2.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 71.319999999999993 110.898 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.526 HD11 ' CE1' ' A' ' 75' ' ' TYR . 51.3 mm -111.58 78.11 1.95 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.604 0.716 . . . . 75.299999999999997 111.147 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -174.25 0.87 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.672 2.248 . . . . 71.319999999999993 112.34 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -51.36 -40.35 58.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 63.409999999999997 110.863 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -56.61 -75.12 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 72.140000000000001 110.867 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -53.8 -27.57 30.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 73.409999999999997 110.912 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.66 -44.98 95.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 41.130000000000003 111.094 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -59.41 -20.67 56.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 74.319999999999993 110.91 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.34 -45.6 10.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 74.25 110.946 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.614 HD12 ' HA ' ' A' ' 72' ' ' ALA . 50.2 mm -71.82 84.41 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 74.310000000000002 111.17 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.523 ' O ' HG23 ' A' ' 68' ' ' THR . 10.8 t -126.81 21.94 6.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 70.420000000000002 111.156 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.793 HG22 ' HA ' ' A' ' 31' ' ' SER . 0.8 OUTLIER -161.31 152.54 18.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 75.099999999999994 111.126 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.9 t -51.71 -58.65 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 74.450000000000003 111.075 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -51.63 -40.58 60.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 73.209999999999994 110.942 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.87 -46.55 81.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 60.340000000000003 111.119 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.614 ' HA ' HD12 ' A' ' 66' ' ' ILE . . . -64.9 -54.78 25.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 61.329999999999998 111.073 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.47 HD12 HG21 ' A' ' 11' ' ' VAL . 1.6 tp -56.57 -32.58 37.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 64.049999999999997 111.177 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -68.35 -49.08 62.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 63.32 110.885 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.526 ' CE1' HD11 ' A' ' 58' ' ' ILE . 4.2 t80 -58.03 -59.95 4.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 75.140000000000001 110.909 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 67.1 t -53.23 -45.74 55.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 52.329999999999998 111.134 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -64.86 -29.16 70.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 73.230000000000004 110.896 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.4 t -78.58 -33.47 47.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 75.150000000000006 110.835 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 7.9 m80 -94.2 59.45 2.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 65.219999999999999 110.85 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 11.5 mm-40 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 71.120000000000005 110.879 -179.926 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.2 t . . . . . 0 N--CA 1.458 -0.068 0 CA-C-O 120.88 0.372 . . . . 63.009999999999998 110.896 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -92.25 -38.78 11.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 73.329999999999998 110.875 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.414 HG22 HD11 ' A' ' 73' ' ' ILE . 32.9 mt -63.99 -49.06 83.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 64.540000000000006 111.134 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -52.91 -47.83 67.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 71.329999999999998 110.917 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -62.46 -46.33 88.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 74.140000000000001 110.903 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.744 ' O ' HD12 ' A' ' 14' ' ' ILE . 0.3 OUTLIER -59.02 -63.41 1.31 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 74.540000000000006 110.851 -179.906 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.867 HG21 HD12 ' A' ' 73' ' ' ILE . 96.5 t -47.03 -41.28 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 62.25 111.091 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.565 ' O ' HG23 ' A' ' 16' ' ' VAL . 0.1 OUTLIER -65.27 -45.84 82.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 53.240000000000002 110.874 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 pttt -56.71 -32.86 65.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 74.209999999999994 110.878 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.744 HD12 ' O ' ' A' ' 10' ' ' ARG . 1.7 mp -72.49 -54.75 15.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 63.420000000000002 111.11 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.743 HD12 ' O ' ' A' ' 11' ' ' VAL . 3.2 mt -59.89 -27.62 38.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 74.140000000000001 111.13 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 12' ' ' LYS . 87.7 t -83.47 -32.83 9.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 75.310000000000002 111.164 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -83.19 -18.03 40.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.149 -0.478 . . . . 61.109999999999999 110.886 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 37.1 mm-40 -94.83 -51.52 4.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 70.310000000000002 110.932 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.59 HD21 ' OD1' ' A' ' 42' ' ' ASP . 58.2 mt -79.01 -61.86 1.88 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 74.239999999999995 110.882 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 127.22 -20.42 5.91 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.802 -0.713 . . . . 63.310000000000002 112.525 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.51 ' O ' HG13 ' A' ' 16' ' ' VAL . 19.2 m -62.31 -174.55 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.845 0.355 . . . . 74.200000000000003 111.119 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -98.44 140.65 32.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 63.240000000000002 110.875 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.611 ' O ' HG12 ' A' ' 26' ' ' VAL . 12.8 pt-20 -57.08 -24.11 51.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.436 . . . . 64.040000000000006 110.905 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.19 -24.36 37.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.11 -0.496 . . . . 64.120000000000005 111.113 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -80.44 -42.54 22.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 72.420000000000002 110.899 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.611 HG12 ' O ' ' A' ' 23' ' ' GLU . 10.2 p -51.56 147.98 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 72.430000000000007 111.081 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 60.3 mttt -119.5 131.89 55.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 64.340000000000003 110.907 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -63.19 -45.89 89.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 71.140000000000001 110.914 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -88.37 58.58 4.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 64.030000000000001 110.904 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.613 ' HB1' ' HB2' ' A' ' 35' ' ' ASP . . . -144.85 -179.7 6.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 70.400000000000006 111.123 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.751 ' HA ' HG22 ' A' ' 68' ' ' THR . 0.3 OUTLIER -118.04 160.7 21.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 62.119999999999997 110.878 -179.803 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.58 ' CE2' HD12 ' A' ' 46' ' ' LEU . 9.8 m-85 -75.73 -14.84 60.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 75.530000000000001 110.854 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.689 HG13 ' O ' ' A' ' 38' ' ' ALA . 5.4 t -120.88 2.3 6.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 74.299999999999997 111.16 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -107.48 -64.07 1.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 71.400000000000006 110.869 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.613 ' HB2' ' HB1' ' A' ' 30' ' ' ALA . 6.7 t0 -71.08 -45.61 63.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 43.200000000000003 110.84 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.56 HD23 ' HA ' ' A' ' 32' ' ' PHE . 0.8 OUTLIER -91.15 -27.14 18.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 73.030000000000001 110.935 -179.919 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.49 41.97 96.01 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.744 -0.741 . . . . 71.319999999999993 112.495 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.689 ' O ' HG13 ' A' ' 33' ' ' VAL . . . -89.39 174.83 7.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.795 0.331 . . . . 51.340000000000003 111.096 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -92.04 -175.82 4.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 71.340000000000003 110.84 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.4 m -61.15 -38.02 84.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 62.210000000000001 110.851 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.492 HD13 ' O ' ' A' ' 41' ' ' LEU . 0.3 OUTLIER -52.62 -34.31 50.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 72.340000000000003 110.943 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.59 ' OD1' HD21 ' A' ' 19' ' ' LEU . 29.3 t0 -64.86 -57.48 8.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 74.400000000000006 110.882 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.494 HG22 ' HD2' ' A' ' 32' ' ' PHE . 68.8 p -51.29 -52.83 41.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 70.450000000000003 111.134 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 60.9 t -57.62 -40.15 73.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 73.230000000000004 111.127 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -57.55 -46.54 83.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.142 -0.481 . . . . 72.019999999999996 110.872 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.58 HD12 ' CE2' ' A' ' 32' ' ' PHE . 27.8 mt -62.31 -48.39 80.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.204 -0.453 . . . . 72.099999999999994 110.936 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.602 HG13 HG21 ' A' ' 58' ' ' ILE . 87.7 t -51.29 -46.88 34.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 71.040000000000006 111.124 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 19.5 mtp -61.84 -49.55 75.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 71.129999999999995 110.933 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -53.71 -33.41 55.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 52.32 111.06 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 1.068 HD22 HG11 ' A' ' 76' ' ' VAL . 79.3 mt -71.38 -51.39 24.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 73.430000000000007 110.931 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -71.38 -8.78 56.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 64.329999999999998 110.882 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -98.42 -45.94 5.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 73.439999999999998 110.867 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -86.37 -53.68 4.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 63.100000000000001 110.897 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 -82.2 -3.72 55.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 70.209999999999994 110.87 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.8 t0 51.33 30.01 5.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.475 . . . . 73.200000000000003 110.889 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.0 t -80.64 141.72 34.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 52.43 111.135 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -80.49 90.75 5.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 73.129999999999995 110.945 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.602 HG21 HG13 ' A' ' 47' ' ' VAL . 46.6 mt -118.6 82.35 19.66 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.636 0.732 . . . . 73.540000000000006 111.153 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -170.5 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.693 2.262 . . . . 62.43 112.343 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -54.97 -51.77 65.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 62.439999999999998 110.916 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -53.48 -63.68 1.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 65.319999999999993 110.912 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -57.32 -23.38 48.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 74.140000000000001 110.915 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.14 -29.22 57.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 72.400000000000006 111.093 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -77.35 -32.92 55.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 60.409999999999997 110.909 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 52.5 pttt -81.08 -32.13 34.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 65.209999999999994 110.897 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 47.1 mm -91.23 83.58 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 72.540000000000006 111.126 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.1 t -123.21 19.39 9.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 63.43 111.069 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.751 HG22 ' HA ' ' A' ' 31' ' ' SER . 16.8 p -139.69 156.74 46.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 74.340000000000003 111.102 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 60.5 t -55.8 -61.47 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 75.200000000000003 111.177 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 10.8 tp60 -50.35 -42.29 52.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 72.530000000000001 110.92 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.71 -45.47 89.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 63.439999999999998 111.061 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.625 ' HB1' HD11 ' A' ' 50' ' ' LEU . . . -65.63 -56.02 14.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 73.439999999999998 111.115 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.867 HD12 HG21 ' A' ' 11' ' ' VAL . 1.4 tp -55.8 -34.72 37.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 75.030000000000001 111.128 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -70.91 -37.77 72.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 75.420000000000002 110.881 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -64.1 -59.15 4.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 73.209999999999994 110.88 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 1.068 HG11 HD22 ' A' ' 50' ' ' LEU . 18.7 m -58.79 -40.58 80.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 74.030000000000001 111.099 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -65.8 -30.98 71.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 72.549999999999997 110.855 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 30.7 t -84.8 -26.18 27.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 72.209999999999994 110.852 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 9.6 m80 -93.29 58.5 2.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 74.319999999999993 110.865 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 72.120000000000005 110.91 -179.949 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.7 t . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.868 0.366 . . . . 53.219999999999999 110.868 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -81.28 -43.59 18.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 54.420000000000002 110.864 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.509 ' O ' HG23 ' A' ' 11' ' ' VAL . 19.9 mt -52.4 -47.47 46.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 54.109999999999999 111.126 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -51.05 -46.61 61.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 74.120000000000005 110.876 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 47.5 tt0 -64.87 -44.63 89.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 53.43 110.933 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.758 ' O ' HD12 ' A' ' 14' ' ' ILE . 1.1 mtt180 -61.52 -60.54 3.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.128 -0.487 . . . . 74.329999999999998 110.894 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.848 HG21 HD12 ' A' ' 73' ' ' ILE . 44.1 t -48.88 -48.19 16.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 74.239999999999995 111.104 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.525 ' O ' HG23 ' A' ' 16' ' ' VAL . 0.2 OUTLIER -61.1 -43.72 98.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 75.439999999999998 110.917 179.9 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.4 ttpt -54.49 -41.63 69.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 73.019999999999996 110.888 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.758 HD12 ' O ' ' A' ' 10' ' ' ARG . 2.4 mp -66.66 -54.22 27.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 74.430000000000007 111.09 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.724 HD12 ' O ' ' A' ' 11' ' ' VAL . 3.5 mt -59.48 -29.51 42.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 65.140000000000001 111.146 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.572 HG22 ' O ' ' A' ' 21' ' ' VAL . 79.2 t -84.99 -25.22 6.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 73.5 111.151 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -89.75 -13.53 36.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 74.140000000000001 110.907 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.608 ' OE1' HD23 ' A' ' 46' ' ' LEU . 1.3 mt-30 -107.1 -56.39 2.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 74.140000000000001 110.897 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.731 HD21 ' OD1' ' A' ' 42' ' ' ASP . 39.4 mt -80.0 -28.7 39.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 71.319999999999993 110.912 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.67 -21.82 41.12 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.765 -0.731 . . . . 53.130000000000003 112.481 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.572 ' O ' HG22 ' A' ' 16' ' ' VAL . 17.4 m -53.95 162.82 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.769 0.319 . . . . 62.200000000000003 111.172 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -86.82 145.59 26.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.448 . . . . 72.120000000000005 110.865 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.515 ' O ' HG12 ' A' ' 26' ' ' VAL . 11.9 pt-20 -57.16 -23.62 48.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 70.140000000000001 110.862 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.19 -42.13 14.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 62.420000000000002 111.091 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -66.94 -39.82 87.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 71.450000000000003 110.825 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.515 HG12 ' O ' ' A' ' 23' ' ' GLU . 10.0 p -51.64 140.12 6.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 74.329999999999998 111.11 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -105.77 134.59 48.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 71.200000000000003 110.899 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -77.92 -34.82 51.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 63.049999999999997 110.845 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -93.24 42.31 1.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 72.540000000000006 110.874 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.619 ' HB1' ' CG ' ' A' ' 35' ' ' ASP . . . -137.26 157.78 45.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 64.530000000000001 111.088 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.403 ' CB ' HG22 ' A' ' 68' ' ' THR . 6.0 m -91.96 -171.7 2.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 63.340000000000003 110.84 -179.753 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.752 ' HA ' HD12 ' A' ' 36' ' ' LEU . 15.5 m-85 -99.67 -27.68 13.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 75.450000000000003 110.863 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.687 HG12 ' O ' ' A' ' 38' ' ' ALA . 12.6 m -120.67 -34.17 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 55.43 111.174 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.65 -25.1 61.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 64.299999999999997 110.89 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.619 ' CG ' ' HB1' ' A' ' 30' ' ' ALA . 24.2 t70 -114.24 -74.52 0.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 75.230000000000004 110.816 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.752 HD12 ' HA ' ' A' ' 32' ' ' PHE . 23.3 mt -51.89 -29.75 21.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 53.409999999999997 110.942 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 75.95 35.51 44.46 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.719 -0.753 . . . . 71.400000000000006 112.451 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.687 ' O ' HG12 ' A' ' 33' ' ' VAL . . . -87.1 -174.2 4.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.831 0.348 . . . . 71.239999999999995 111.083 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -104.62 171.55 7.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.429 . . . . 62.399999999999999 110.875 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.406 ' O ' HG23 ' A' ' 44' ' ' VAL . 29.0 t -54.68 -33.52 60.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 60.340000000000003 110.848 -179.755 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.54 HD13 ' O ' ' A' ' 41' ' ' LEU . 0.4 OUTLIER -58.5 -39.42 80.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 71.329999999999998 110.94 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.731 ' OD1' HD21 ' A' ' 19' ' ' LEU . 4.8 t0 -61.24 -56.96 14.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.158 -0.474 . . . . 62.539999999999999 110.889 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.61 HG22 ' HB2' ' A' ' 32' ' ' PHE . 74.9 p -50.8 -52.35 41.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.15 -0.477 . . . . 62.299999999999997 111.156 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.548 HG12 ' SD ' ' A' ' 48' ' ' MET . 72.5 t -56.79 -38.37 58.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.446 . . . . 74.319999999999993 111.1 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -60.69 -45.24 94.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 74.129999999999995 110.887 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.608 HD23 ' OE1' ' A' ' 18' ' ' GLN . 32.1 mt -66.85 -49.59 65.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 71.230000000000004 110.935 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 43' ' ' THR . 75.3 t -51.05 -42.78 25.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 64.519999999999996 111.14 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.548 ' SD ' HG12 ' A' ' 44' ' ' VAL . 5.2 mtp -70.08 -41.89 73.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 61.210000000000001 110.858 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.76 -26.36 67.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 75.329999999999998 111.071 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.725 HD11 ' HB1' ' A' ' 72' ' ' ALA . 81.1 mt -82.93 -51.08 7.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.251 -0.431 . . . . 71.209999999999994 110.905 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -68.48 -12.13 60.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 70.109999999999999 110.871 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -100.26 -49.16 4.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 73.319999999999993 110.92 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -76.82 -52.1 10.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 72.340000000000003 110.857 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.532 ' HB3' HG23 ' A' ' 56' ' ' THR . 30.6 m-85 -85.72 -0.69 55.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 74.319999999999993 110.912 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.0 t0 49.89 37.7 14.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.486 . . . . 75.409999999999997 110.838 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.871 HG21 HG12 ' A' ' 76' ' ' VAL . 44.8 p -88.53 129.32 35.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 71.120000000000005 111.155 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -69.98 84.17 0.5 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.225 -0.443 . . . . 73.400000000000006 110.905 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 49.4 mm -111.08 78.51 1.72 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.573 0.701 . . . . 74.510000000000005 111.125 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -170.92 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.709 2.273 . . . . 45.049999999999997 112.35 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -55.53 -42.88 75.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 73.540000000000006 110.86 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -58.44 -61.76 2.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 64.319999999999993 110.829 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.96 -14.58 60.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 72.310000000000002 110.87 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -80.38 -32.29 37.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 64.450000000000003 111.097 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.69 -18.02 58.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 72.209999999999994 110.887 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt -98.91 -35.26 10.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 63.409999999999997 110.913 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 40.8 mm -87.41 83.48 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 61.200000000000003 111.134 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 10.6 t -126.51 23.34 6.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 74.239999999999995 111.165 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.403 HG22 ' CB ' ' A' ' 31' ' ' SER . 19.8 p -144.96 160.29 41.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.201 -0.454 . . . . 63.200000000000003 111.106 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 48.8 t -60.45 -60.64 2.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 61.299999999999997 111.111 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -50.57 -37.5 40.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 71.030000000000001 110.899 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.82 -49.91 59.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 73.030000000000001 111.111 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.725 ' HB1' HD11 ' A' ' 50' ' ' LEU . . . -62.11 -53.09 60.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 61.229999999999997 111.119 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.848 HD12 HG21 ' A' ' 11' ' ' VAL . 1.4 tp -58.46 -35.91 56.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 74.349999999999994 111.152 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -67.56 -37.28 82.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 52.340000000000003 110.87 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -67.46 -65.21 0.72 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 74.120000000000005 110.918 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.871 HG12 HG21 ' A' ' 56' ' ' THR . 21.4 m -50.94 -39.93 19.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.106 -0.497 . . . . 74.340000000000003 111.199 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 32.7 t-20 -65.31 -42.43 93.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 72.409999999999997 110.913 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 46.9 t -73.11 -22.77 60.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 70.420000000000002 110.848 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 11.0 m80 -110.24 67.73 0.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 73.230000000000004 110.848 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 6.7 mp0 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 63.450000000000003 110.895 -179.921 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.2 m . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.931 0.396 . . . . 65.219999999999999 110.889 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -50.21 -36.52 31.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.078 -0.51 . . . . 63.299999999999997 110.878 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.655 ' O ' HG23 ' A' ' 11' ' ' VAL . 69.6 mt -71.49 -47.2 59.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 71.230000000000004 111.119 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -59.43 -47.25 86.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 71.140000000000001 110.894 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -63.82 -39.15 93.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 72.430000000000007 110.853 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.592 ' O ' HD12 ' A' ' 14' ' ' ILE . 9.5 mtp180 -67.59 -57.7 5.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 65.319999999999993 110.907 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 7' ' ' ILE . 62.1 t -49.39 -60.82 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 71.439999999999998 111.177 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.648 ' O ' HG23 ' A' ' 16' ' ' VAL . 41.2 mmtm -50.22 -47.4 54.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 74.109999999999999 110.905 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.0 ttpt -49.2 -58.04 5.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 64.120000000000005 110.882 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.755 HG22 ' NE2' ' A' ' 18' ' ' GLN . 3.3 mt -52.56 -56.94 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 55.520000000000003 111.064 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.596 HG13 HD22 ' A' ' 46' ' ' LEU . 2.0 mp -53.39 -33.11 20.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 73.549999999999997 111.148 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 12' ' ' LYS . 74.7 t -75.29 -27.11 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 61.43 111.111 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -80.15 -27.15 39.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 73.299999999999997 110.908 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.755 ' NE2' HG22 ' A' ' 14' ' ' ILE . 3.3 mt-30 -83.33 -60.49 2.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 75.239999999999995 110.895 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 58.8 mt -70.34 -28.68 65.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 63.130000000000003 110.885 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.89 15.17 76.02 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.792 -0.718 . . . . 64.310000000000002 112.475 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.404 ' O ' HG13 ' A' ' 16' ' ' VAL . 32.7 m -90.93 -179.94 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.802 0.334 . . . . 73.310000000000002 111.109 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -77.87 128.48 34.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 72.530000000000001 110.886 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -52.44 -29.4 24.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 63.240000000000002 110.877 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.63 -43.76 88.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 75.510000000000005 111.091 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -58.26 -51.75 68.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 55.140000000000001 110.906 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 56.4 t -51.7 106.13 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 75.230000000000004 111.157 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 48.1 mttp -95.93 143.1 27.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 72.530000000000001 110.907 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -63.14 -29.11 70.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 64.209999999999994 110.918 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -98.29 29.32 3.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 74.450000000000003 110.885 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.35 141.59 48.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 75.439999999999998 111.111 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.703 ' CB ' HG22 ' A' ' 68' ' ' THR . 8.8 t -90.1 167.29 12.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 74.109999999999999 110.898 -179.77 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.639 ' HB2' HG22 ' A' ' 43' ' ' THR . 6.8 m-85 -84.56 -29.27 26.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 74.430000000000007 110.909 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 5.5 m -121.38 -32.36 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 74.310000000000002 111.097 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -72.51 -27.44 62.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 72.310000000000002 110.86 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -113.87 -74.59 0.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 72.430000000000007 110.888 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.529 HD12 ' HA ' ' A' ' 32' ' ' PHE . 21.2 mt -55.5 -26.88 45.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 74.450000000000003 110.925 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.24 48.19 54.06 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.703 -0.761 . . . . 51.399999999999999 112.503 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -82.36 -80.72 0.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.758 0.313 . . . . 61.130000000000003 111.078 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 178.98 179.83 0.39 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 75.219999999999999 110.857 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 41.8 m -71.3 -42.41 68.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 72.109999999999999 110.849 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.7 tp -53.64 -32.73 52.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.13 -0.486 . . . . 71.209999999999994 110.896 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -65.87 -56.2 13.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 73.340000000000003 110.857 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.639 HG22 ' HB2' ' A' ' 32' ' ' PHE . 81.2 p -51.56 -55.25 20.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 74.230000000000004 111.164 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.544 HG22 ' SD ' ' A' ' 48' ' ' MET . 7.2 p -57.46 -36.87 54.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 62.219999999999999 111.165 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -59.15 -45.19 91.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 71.209999999999994 110.849 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.596 HD22 HG13 ' A' ' 15' ' ' ILE . 25.3 mt -64.59 -50.29 67.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 71.340000000000003 110.948 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.512 HG13 ' CG2' ' A' ' 58' ' ' ILE . 93.2 t -50.59 -44.12 24.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 72.099999999999994 111.126 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.544 ' SD ' HG22 ' A' ' 44' ' ' VAL . 35.5 mtp -67.4 -41.1 85.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 54.509999999999998 110.861 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.731 ' HB1' HG21 ' A' ' 14' ' ' ILE . . . -58.92 -30.44 67.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.273 -0.422 . . . . 44.130000000000003 111.109 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.726 HD22 HG21 ' A' ' 76' ' ' VAL . 89.1 mt -78.75 -58.02 3.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 74.099999999999994 110.928 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.497 ' HB3' HD12 ' A' ' 58' ' ' ILE . 0.2 OUTLIER -59.58 -19.17 46.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 62.409999999999997 110.888 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 78.7 tt0 -92.59 -60.59 1.79 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 61.219999999999999 110.899 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -63.95 -58.48 6.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.482 . . . . 63.329999999999998 110.879 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -75.36 -6.49 50.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 75.019999999999996 110.908 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.1 t0 61.61 26.77 16.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.09 -0.505 . . . . 74.200000000000003 110.86 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -78.93 174.5 11.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 62.32 111.101 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -117.76 88.42 2.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 72.400000000000006 110.884 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.512 ' CG2' HG13 ' A' ' 47' ' ' VAL . 3.0 mp -117.44 77.38 10.29 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.605 0.717 . . . . 54.020000000000003 111.085 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -169.56 0.33 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.681 2.254 . . . . 71.230000000000004 112.341 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -52.96 -48.27 67.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 72.010000000000005 110.862 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -54.43 -68.33 0.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 70.5 110.883 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.406 ' HB3' HG23 ' A' ' 58' ' ' ILE . 0.5 OUTLIER -51.91 -37.88 54.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 75.109999999999999 110.876 -179.913 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.09 -47.13 72.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 60.140000000000001 111.1 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -55.07 -25.73 32.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 64.219999999999999 110.865 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.3 mtpt -81.14 -46.16 15.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 62.100000000000001 110.884 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 30.6 mm -75.67 96.25 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.223 -0.444 . . . . 72.340000000000003 111.147 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 54.1 p -117.3 -22.04 8.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 72.239999999999995 111.152 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.703 HG22 ' CB ' ' A' ' 31' ' ' SER . 17.7 p -124.93 -177.27 3.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 74.430000000000007 111.099 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 42.9 t -70.47 -49.25 54.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 74.5 111.123 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.8 -45.83 64.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 75.329999999999998 110.882 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.8 -43.98 97.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 74.030000000000001 111.119 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.417 ' HB1' HD11 ' A' ' 50' ' ' LEU . . . -67.12 -60.17 2.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 71.129999999999995 111.083 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 5.6 tp -51.25 -31.15 11.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 75.409999999999997 111.178 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -72.08 -52.25 17.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 75.109999999999999 110.86 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -52.36 -55.56 20.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 75.219999999999999 110.922 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.726 HG21 HD22 ' A' ' 50' ' ' LEU . 80.7 t -59.58 -50.83 78.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 63.439999999999998 111.147 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -56.55 -26.61 55.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 64.030000000000001 110.905 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 9.3 t -88.13 -30.24 19.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 73.219999999999999 110.84 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 10.9 m80 -90.08 55.62 3.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 63.009999999999998 110.859 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 39.9 mm-40 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 64.010000000000005 110.914 -179.904 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 m . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.913 0.387 . . . . 75.140000000000001 110.87 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -65.66 -54.15 31.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 73.310000000000002 110.892 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.532 HG23 ' CZ ' ' A' ' 54' ' ' PHE . 13.5 mt -51.2 -36.58 16.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 72.450000000000003 111.185 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -60.55 -55.83 28.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.101 -0.5 . . . . 73.120000000000005 110.9 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -60.31 -38.29 83.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 72.310000000000002 110.857 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.754 ' O ' HD12 ' A' ' 14' ' ' ILE . 0.0 OUTLIER -65.77 -64.47 0.85 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 71.299999999999997 110.836 -179.879 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -49.73 -31.44 6.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 74.420000000000002 111.165 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.596 ' O ' HG23 ' A' ' 16' ' ' VAL . 0.2 OUTLIER -69.19 -49.65 54.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 73.510000000000005 110.902 179.899 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt -56.09 -44.87 79.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 55.119999999999997 110.922 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.754 HD12 ' O ' ' A' ' 10' ' ' ARG . 2.6 mp -61.04 -58.93 5.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 72.25 111.157 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 29.4 mt -51.75 -31.18 12.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 74.319999999999993 111.126 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.692 HG13 ' O ' ' A' ' 21' ' ' VAL . 83.3 t -81.33 -31.29 11.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 75.129999999999995 111.109 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -81.9 -16.45 50.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 74.319999999999993 110.838 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -96.33 -39.6 9.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 74.329999999999998 110.872 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.504 HD13 HD13 ' A' ' 36' ' ' LEU . 73.7 mt -90.34 -27.83 19.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 74.340000000000003 110.879 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.4 19.12 79.92 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.736 -0.745 . . . . 45.520000000000003 112.473 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.692 ' O ' HG13 ' A' ' 16' ' ' VAL . 19.9 m -102.25 -178.88 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.823 0.344 . . . . 73.219999999999999 111.156 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -79.55 131.9 36.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 64.200000000000003 110.869 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.466 ' HB3' HG21 ' A' ' 16' ' ' VAL . 12.6 pt-20 -54.15 -28.19 38.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 75.230000000000004 110.897 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.02 -44.11 81.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 43.299999999999997 111.117 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -60.72 -29.97 69.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 75.409999999999997 110.889 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 96.1 t -59.22 101.05 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 54.109999999999999 111.139 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 44.0 mmtt -90.13 128.03 36.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 73.25 110.882 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -54.83 -42.81 72.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 72.109999999999999 110.87 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -91.42 59.2 3.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 73.530000000000001 110.887 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -153.81 141.08 19.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 73.230000000000004 111.076 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.604 ' CB ' HG22 ' A' ' 68' ' ' THR . 0.8 OUTLIER -83.99 161.77 20.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 72.219999999999999 110.837 -179.784 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.753 ' HA ' HD12 ' A' ' 36' ' ' LEU . 12.9 m-85 -69.67 -23.23 63.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.484 . . . . 74.430000000000007 110.885 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 46.8 t -127.94 -48.43 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 45.200000000000003 111.148 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -52.09 -30.3 25.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.478 . . . . 63.299999999999997 110.869 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -112.15 -71.74 0.74 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 73.120000000000005 110.848 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.753 HD12 ' HA ' ' A' ' 32' ' ' PHE . 38.5 mt -51.5 -47.73 63.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 73.239999999999995 110.921 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 98.36 20.45 20.11 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.717 -0.754 . . . . 65.219999999999999 112.489 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.566 ' HB1' ' CG ' ' A' ' 42' ' ' ASP . . . -67.98 -169.31 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.74 0.305 . . . . 53.219999999999999 111.115 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -111.82 169.93 8.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 71.530000000000001 110.825 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -53.08 -43.07 66.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 74.140000000000001 110.835 -179.774 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.2 tp -53.27 -34.47 57.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.132 -0.485 . . . . 74.310000000000002 110.906 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.566 ' CG ' ' HB1' ' A' ' 38' ' ' ALA . 2.1 m-20 -64.35 -57.51 9.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 70.530000000000001 110.904 179.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.525 HG22 ' HB2' ' A' ' 32' ' ' PHE . 74.4 p -51.59 -56.33 14.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 45.409999999999997 111.122 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 46.8 t -54.38 -40.17 47.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 53.049999999999997 111.12 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -57.38 -49.53 75.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 64.329999999999998 110.872 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.554 HD12 ' CE2' ' A' ' 32' ' ' PHE . 30.7 mt -58.98 -49.79 76.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.478 . . . . 74.209999999999994 110.896 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 95.0 t -50.24 -48.58 24.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 71.109999999999999 111.154 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 15.7 mtp -58.8 -48.28 81.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.467 . . . . 73.349999999999994 110.89 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.77 -29.87 65.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 65.25 111.134 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.551 HD22 HG11 ' A' ' 76' ' ' VAL . 96.4 mt -73.35 -42.64 61.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 31.309999999999999 110.936 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -80.77 -9.22 59.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 74.420000000000002 110.934 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -104.37 -24.77 13.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.487 . . . . 73.439999999999998 110.876 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -106.25 -46.03 4.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 75.140000000000001 110.895 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.532 ' CZ ' HG23 ' A' ' 7' ' ' ILE . 31.7 m-85 -96.95 0.87 49.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 72.540000000000006 110.862 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 50.55 34.28 9.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 75.030000000000001 110.851 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 1.04 HG21 HG12 ' A' ' 76' ' ' VAL . 30.2 p -86.34 119.74 26.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 71.420000000000002 111.13 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 20.5 mp0 -69.27 85.12 0.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 74.549999999999997 110.907 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 53.6 mt -109.2 85.45 3.41 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.624 0.726 . . . . 73.310000000000002 111.098 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 179.57 3.62 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.696 2.264 . . . . 43.450000000000003 112.302 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -54.58 -42.61 71.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 63.030000000000001 110.865 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -56.63 -57.89 10.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 61.039999999999999 110.896 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -74.68 -5.73 44.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 62.409999999999997 110.91 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -83.66 -35.45 24.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.483 . . . . 75.299999999999997 111.104 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -70.73 -23.57 62.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 74.430000000000007 110.924 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -90.74 -33.64 15.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 73.409999999999997 110.851 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 46.0 mm -90.41 85.12 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 74.109999999999999 111.136 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 64.0 p -131.4 22.69 4.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 54.439999999999998 111.129 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.604 HG22 ' CB ' ' A' ' 31' ' ' SER . 12.3 p -140.55 158.12 44.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 64.439999999999998 111.146 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 37.4 t -55.31 -61.83 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.23 -0.441 . . . . 72.430000000000007 111.106 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 -51.49 -44.37 62.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 75.549999999999997 110.906 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.9 -42.99 99.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 73.319999999999993 111.074 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.31 -59.0 3.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 63.43 111.097 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 3.4 tp -52.19 -33.57 16.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.28 -0.418 . . . . 72.230000000000004 111.095 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -70.97 -46.17 62.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 65.420000000000002 110.85 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -55.96 -56.35 21.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.456 . . . . 75.109999999999999 110.945 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 1.04 HG12 HG21 ' A' ' 56' ' ' THR . 22.7 m -61.59 -38.85 81.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 71.230000000000004 111.144 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -68.04 -23.65 65.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 72.319999999999993 110.886 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 43.2 t -91.78 -31.1 15.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 53.32 110.847 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 18.0 m80 -93.89 52.56 1.67 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 73.340000000000003 110.851 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 55.219999999999999 110.948 -179.95 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.2 m . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.873 0.368 . . . . 63.210000000000001 110.893 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -92.08 -52.7 4.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 74.299999999999997 110.873 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.528 ' O ' HG23 ' A' ' 11' ' ' VAL . 49.7 mt -57.74 -34.65 48.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 72.099999999999994 111.158 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -60.98 -56.54 19.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 73.239999999999995 110.911 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -64.63 -34.96 79.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 73.439999999999998 110.92 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.665 ' O ' HD12 ' A' ' 14' ' ' ILE . 3.1 mtp180 -67.49 -63.84 0.98 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 73.120000000000005 110.897 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.746 ' O ' HD12 ' A' ' 15' ' ' ILE . 98.0 t -50.93 -57.68 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 71.109999999999999 111.124 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.645 ' O ' HG23 ' A' ' 16' ' ' VAL . 24.4 mmtp -51.26 -49.01 62.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.47 . . . . 71.120000000000005 110.895 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.8 ttmt -48.83 -57.63 6.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 72.439999999999998 110.93 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.665 HD12 ' O ' ' A' ' 10' ' ' ARG . 3.3 mt -50.73 -57.76 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 63.450000000000003 111.18 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.746 HD12 ' O ' ' A' ' 11' ' ' VAL . 3.0 mt -54.01 -29.65 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 74.030000000000001 111.164 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 12' ' ' LYS . 73.5 t -80.3 -27.07 11.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 55.450000000000003 111.106 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -91.6 -9.72 43.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 71.430000000000007 110.892 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -104.35 -61.64 1.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 72.340000000000003 110.896 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.6 mp -72.84 -45.95 55.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 73.439999999999998 110.931 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 117.68 -32.08 5.49 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.727 -0.749 . . . . 63.520000000000003 112.477 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.4 ' O ' HG13 ' A' ' 16' ' ' VAL . 34.2 m -51.44 161.51 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.834 0.35 . . . . 34.420000000000002 111.138 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -83.81 146.33 28.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 65.010000000000005 110.863 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.477 ' HB3' HG21 ' A' ' 16' ' ' VAL . 7.7 pt-20 -62.61 -17.67 60.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 63.340000000000003 110.874 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -88.1 -60.65 1.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 25.0 111.061 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -51.93 -39.05 58.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 62.549999999999997 110.867 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.461 HG12 ' O ' ' A' ' 23' ' ' GLU . 8.6 p -51.93 150.44 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 75.030000000000001 111.134 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? -116.92 136.18 53.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 71.420000000000002 110.875 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -70.23 -38.14 75.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 62.310000000000002 110.897 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -90.56 46.89 1.37 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 62.240000000000002 110.869 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -139.66 157.33 45.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 64.310000000000002 111.09 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.468 ' OG ' HG22 ' A' ' 68' ' ' THR . 10.6 t -92.88 -175.52 3.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 73.200000000000003 110.892 -179.806 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.799 ' HA ' HD12 ' A' ' 36' ' ' LEU . 16.0 m-85 -96.54 -35.76 10.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 70.329999999999998 110.918 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.711 HG23 ' O ' ' A' ' 38' ' ' ALA . 8.0 p -121.04 -34.58 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 44.039999999999999 111.092 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -66.6 -23.38 66.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 70.430000000000007 110.874 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -117.6 -74.61 0.6 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 74.019999999999996 110.841 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.799 HD12 ' HA ' ' A' ' 32' ' ' PHE . 10.3 mt -51.58 -37.31 49.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 42.530000000000001 110.932 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 89.33 27.0 24.11 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.765 -0.731 . . . . 71.299999999999997 112.507 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.711 ' O ' HG23 ' A' ' 33' ' ' VAL . . . -69.01 -169.13 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.79 0.329 . . . . 60.439999999999998 111.111 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -106.08 -176.75 3.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.269 -0.423 . . . . 74.219999999999999 110.832 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.9 m -67.31 -48.55 67.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 74.230000000000004 110.886 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.18 -33.2 51.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.082 -0.508 . . . . 43.439999999999998 110.891 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.15 -63.25 1.37 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 74.239999999999995 110.87 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.753 HG22 ' HB2' ' A' ' 32' ' ' PHE . 50.6 p -51.55 -50.76 59.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 51.539999999999999 111.133 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 63.5 t -59.76 -35.92 62.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 73.109999999999999 111.129 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -63.04 -41.73 99.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 63.210000000000001 110.908 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.482 HD12 ' CE2' ' A' ' 32' ' ' PHE . 36.2 mt -66.35 -46.32 77.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 75.239999999999995 110.922 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.588 HG13 HG21 ' A' ' 58' ' ' ILE . 84.8 t -55.59 -56.54 11.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 72.030000000000001 111.117 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 26.6 ptm -58.83 -36.7 74.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 73.430000000000007 110.891 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.8 -40.5 88.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 60.140000000000001 111.105 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 41.0 mt -68.85 -59.62 2.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 60.340000000000003 110.894 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -56.24 -21.42 23.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 73.129999999999995 110.872 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -87.24 -62.75 1.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 75.349999999999994 110.901 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.26 -62.03 1.97 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 74.209999999999994 110.87 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -66.32 -13.83 61.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 73.099999999999994 110.887 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.5 t70 61.2 38.21 16.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 72.349999999999994 110.853 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.6 p -93.68 164.89 12.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.455 . . . . 72.109999999999999 111.143 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -96.75 83.85 3.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 54.109999999999999 110.932 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.588 HG21 HG13 ' A' ' 47' ' ' VAL . 51.7 mm -111.52 79.25 2.25 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.631 0.729 . . . . 73.209999999999994 111.154 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -170.48 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.705 2.27 . . . . 54.130000000000003 112.339 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -53.63 -50.51 65.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 74.319999999999993 110.853 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -52.12 -67.33 0.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 75.019999999999996 110.881 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -55.48 -26.02 40.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 71.230000000000004 110.86 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.81 -27.01 60.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 73.340000000000003 111.094 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -79.63 -35.02 40.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 74.329999999999998 110.842 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 10.9 ptmm? -79.91 -31.96 40.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 65.329999999999998 110.903 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 41.4 mm -91.17 86.4 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 73.439999999999998 111.12 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 10.1 t -126.27 12.74 7.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.203 -0.453 . . . . 74.239999999999995 111.12 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.468 HG22 ' OG ' ' A' ' 31' ' ' SER . 20.0 p -139.48 156.44 46.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 62.210000000000001 111.151 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 57.8 t -54.92 -59.52 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 64.219999999999999 111.144 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -51.15 -39.78 57.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 73.230000000000004 110.911 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.79 -46.33 79.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 71.010000000000005 111.104 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.87 -53.74 41.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 72.510000000000005 111.114 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 2.1 tp -57.45 -33.7 44.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 71.099999999999994 111.104 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -68.98 -43.75 74.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 62.119999999999997 110.839 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -61.03 -60.64 3.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 73.530000000000001 110.938 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 77.4 t -52.83 -48.69 49.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 74.510000000000005 111.156 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -65.33 -24.96 67.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 72.129999999999995 110.914 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.3 t -78.29 -44.19 26.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 74.400000000000006 110.81 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 3.3 m80 -82.84 56.72 3.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 72.420000000000002 110.84 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 75.409999999999997 110.956 -179.985 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.6 t . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.89 0.376 . . . . 43.539999999999999 110.878 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -91.89 -40.27 11.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 74.120000000000005 110.924 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.66 ' O ' HG23 ' A' ' 11' ' ' VAL . 78.7 mt -61.79 -40.43 86.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 73.5 111.133 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.32 -47.11 79.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 75.239999999999995 110.886 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -66.43 -38.68 87.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 63.039999999999999 110.875 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.0 mmm-85 -66.41 -60.1 3.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 65.430000000000007 110.865 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.745 ' O ' HD12 ' A' ' 15' ' ' ILE . 32.1 t -50.72 -59.85 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 61.310000000000002 111.144 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.641 ' O ' HG23 ' A' ' 16' ' ' VAL . 36.8 mmtm -50.75 -46.75 59.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 54.109999999999999 110.917 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.6 ttpp -50.8 -48.33 59.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 75.540000000000006 110.925 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mp -60.2 -57.54 11.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 74.439999999999998 111.122 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.745 HD12 ' O ' ' A' ' 11' ' ' VAL . 2.6 mp -51.66 -33.95 15.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 73.230000000000004 111.143 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 12' ' ' LYS . 89.9 t -77.42 -38.86 27.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.174 -0.466 . . . . 72.439999999999998 111.131 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -71.91 -24.2 61.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 74.299999999999997 110.91 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 -84.63 -46.66 11.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 72.230000000000004 110.917 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -85.43 -65.39 1.02 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 71.0 110.918 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 127.17 -17.33 6.27 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.746 -0.74 . . . . 61.310000000000002 112.463 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.632 ' O ' HG13 ' A' ' 16' ' ' VAL . 23.0 m -66.17 -176.64 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.807 0.337 . . . . 73.420000000000002 111.139 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -91.65 132.64 36.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 55.149999999999999 110.861 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.616 ' HB3' HG21 ' A' ' 16' ' ' VAL . 1.6 pp20? -55.97 -26.4 48.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 65.299999999999997 110.892 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.89 -52.63 41.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 51.100000000000001 111.082 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -54.79 -26.86 37.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 62.200000000000003 110.875 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.474 HG22 HD11 ' A' ' 36' ' ' LEU . 65.7 t -82.54 116.74 27.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 65.219999999999999 111.166 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.587 ' O ' HG21 ' A' ' 69' ' ' VAL . 28.3 mtmm -97.04 175.55 6.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 73.319999999999993 110.931 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -77.95 -30.14 50.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 75.430000000000007 110.858 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -103.43 47.98 0.87 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 52.420000000000002 110.849 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.46 ' HB1' ' CG ' ' A' ' 35' ' ' ASP . . . -111.8 167.16 10.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 65.430000000000007 111.119 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.522 ' HA ' HG22 ' A' ' 68' ' ' THR . 3.5 m -105.38 161.24 14.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 63.130000000000003 110.889 -179.806 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.794 ' CE2' HD12 ' A' ' 46' ' ' LEU . 3.4 m-30 -87.45 8.36 25.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 75.510000000000005 110.87 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.657 HG13 ' O ' ' A' ' 38' ' ' ALA . 96.9 t -149.59 -41.2 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 73.510000000000005 111.129 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -70.38 -42.12 72.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 73.310000000000002 110.887 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.46 ' CG ' ' HB1' ' A' ' 30' ' ' ALA . 0.6 OUTLIER -81.71 -67.5 0.78 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.482 . . . . 72.310000000000002 110.904 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.474 HD11 HG22 ' A' ' 26' ' ' VAL . 2.5 mm? -63.27 -69.63 0.26 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 61.439999999999998 110.903 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 136.24 -5.59 3.91 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.778 -0.725 . . . . 74.099999999999994 112.477 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.657 ' O ' HG13 ' A' ' 33' ' ' VAL . . . -60.23 -169.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.751 0.31 . . . . 74.310000000000002 111.113 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -133.41 -78.43 0.48 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 54.340000000000003 110.884 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 43.2 t -133.19 -40.83 0.9 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 72.340000000000003 110.893 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.9 mt -51.17 -32.72 24.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.085 -0.507 . . . . 52.119999999999997 110.923 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -68.92 -58.33 4.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 72.25 110.916 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.688 ' O ' HG23 ' A' ' 47' ' ' VAL . 68.1 p -47.35 -52.51 16.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 64.25 111.146 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.2 p -62.83 -36.76 76.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 63.119999999999997 111.168 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.8 -56.1 23.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.134 -0.485 . . . . 61.130000000000003 110.932 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.794 HD12 ' CE2' ' A' ' 32' ' ' PHE . 9.6 mt -55.37 -46.74 76.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 61.149999999999999 110.895 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.688 HG23 ' O ' ' A' ' 43' ' ' THR . 81.9 t -51.49 -57.6 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 70.420000000000002 111.111 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.19 -45.53 65.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 63.219999999999999 110.939 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.75 -35.26 70.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 71.430000000000007 111.062 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.595 HD22 HG21 ' A' ' 76' ' ' VAL . 86.8 mt -72.5 -59.54 2.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 64.150000000000006 110.915 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.695 ' HB3' HD12 ' A' ' 58' ' ' ILE . 10.5 pt-20 -56.98 -20.53 24.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 62.539999999999999 110.897 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -87.3 -61.23 1.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 74.420000000000002 110.879 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -65.95 -61.73 1.89 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 63.329999999999998 110.896 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -66.77 -13.3 61.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 72.209999999999994 110.9 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.0 t70 63.84 34.24 12.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.122 -0.49 . . . . 73.239999999999995 110.829 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.5 HG22 ' HB3' ' A' ' 79' ' ' HIS . 2.3 p -90.73 176.36 6.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 73.430000000000007 111.114 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 67.8 mt-10 -118.07 86.5 2.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.453 . . . . 64.409999999999997 110.848 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.695 HD12 ' HB3' ' A' ' 51' ' ' GLU . 2.0 mp -109.65 84.25 3.12 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.671 0.748 . . . . 70.540000000000006 111.133 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.408 ' O ' ' HB2' ' A' ' 63' ' ' ALA . 53.0 Cg_endo -69.76 -170.16 0.37 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.741 2.294 . . . . 72.549999999999997 112.298 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -66.85 -47.94 70.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.448 . . . . 73.420000000000002 110.844 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -54.3 -46.64 72.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 71.299999999999997 110.892 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -78.08 -22.84 48.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 64.219999999999999 110.879 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.408 ' HB2' ' O ' ' A' ' 59' ' ' PRO . . . -65.97 -41.09 91.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 71.400000000000006 111.107 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.94 -22.4 48.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 60.130000000000003 110.88 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.8 mtpt -81.58 -31.71 32.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 71.230000000000004 110.917 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 45.6 mm -84.85 94.46 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 71.049999999999997 111.153 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 44.4 p -139.75 13.58 2.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 61.240000000000002 111.128 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.522 HG22 ' HA ' ' A' ' 31' ' ' SER . 40.2 p -151.79 155.08 37.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 54.539999999999999 111.161 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.587 HG21 ' O ' ' A' ' 27' ' ' LYS . 35.6 t -51.56 -59.89 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 55.229999999999997 111.167 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -51.59 -45.07 63.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 73.040000000000006 110.922 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.35 -44.47 97.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 63.329999999999998 111.11 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.57 -59.45 3.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 70.340000000000003 111.108 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.488 HD12 HG21 ' A' ' 11' ' ' VAL . 6.0 tp -51.71 -30.95 12.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 51.039999999999999 111.112 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -70.73 -53.25 16.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 73.319999999999993 110.884 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -52.66 -55.55 21.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 74.430000000000007 110.912 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.595 HG21 HD22 ' A' ' 50' ' ' LEU . 44.3 t -58.13 -48.95 83.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 71.150000000000006 111.156 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -58.55 -32.02 68.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 63.310000000000002 110.837 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 28.1 t -81.85 -28.24 33.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 73.019999999999996 110.866 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.5 ' HB3' HG22 ' A' ' 56' ' ' THR . 22.6 m80 -97.22 57.0 1.41 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 73.420000000000002 110.889 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 41.1 mm-40 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 74.319999999999993 110.943 -179.939 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.2 p . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.892 0.377 . . . . 73.299999999999997 110.83 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -52.92 -60.26 3.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 60.140000000000001 110.903 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.648 ' O ' HG22 ' A' ' 11' ' ' VAL . 9.2 mt -55.36 -40.42 57.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 75.140000000000001 111.143 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 75.7 tt0 -51.88 -55.84 17.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 64.109999999999999 110.886 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -65.75 -25.96 67.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 75.319999999999993 110.933 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.72 ' O ' HD12 ' A' ' 14' ' ' ILE . 6.4 mtp180 -72.04 -66.58 0.62 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 62.149999999999999 110.909 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.712 HG23 ' HD3' ' A' ' 12' ' ' LYS . 14.2 m -50.38 -42.69 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 74.010000000000005 111.108 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.712 ' HD3' HG23 ' A' ' 11' ' ' VAL . 1.1 mptp? -62.18 -51.19 68.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 74.129999999999995 110.891 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.5 ttmt -50.08 -46.27 53.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 74.340000000000003 110.852 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.72 HD12 ' O ' ' A' ' 10' ' ' ARG . 3.0 mt -61.54 -63.16 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 75.430000000000007 111.109 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.637 HD12 ' O ' ' A' ' 11' ' ' VAL . 5.7 mt -50.03 -31.6 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 70.319999999999993 111.146 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.713 HG13 ' O ' ' A' ' 21' ' ' VAL . 74.0 t -77.81 -36.04 21.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 64.150000000000006 111.143 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -75.52 -29.18 59.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 75.5 110.859 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -79.56 -53.68 6.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 75.430000000000007 110.94 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -73.08 -62.59 1.41 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 73.5 110.905 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 116.84 16.14 6.47 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.739 -0.743 . . . . 71.150000000000006 112.509 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.713 ' O ' HG13 ' A' ' 16' ' ' VAL . 24.5 m -97.2 175.04 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.838 0.351 . . . . 64.439999999999998 111.148 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -77.91 127.82 32.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.467 . . . . 75.329999999999998 110.886 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.545 ' HB3' HG21 ' A' ' 16' ' ' VAL . 12.4 pt-20 -51.9 -31.82 29.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 60.409999999999997 110.929 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.3 -39.82 91.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 51.539999999999999 111.126 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -61.66 -50.03 74.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 75.5 110.936 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.8 t -59.82 113.76 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 75.0 111.134 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.8 mtmm -112.06 168.33 9.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 74.129999999999995 110.891 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -68.48 -20.61 64.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 72.530000000000001 110.866 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -99.98 21.21 13.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 44.030000000000001 110.887 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.459 ' HB3' HG21 ' A' ' 69' ' ' VAL . . . -100.11 157.11 16.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 61.450000000000003 111.129 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.634 ' HA ' HG22 ' A' ' 68' ' ' THR . 22.7 t -102.71 173.98 6.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 73.209999999999994 110.846 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.443 ' CE2' HD12 ' A' ' 46' ' ' LEU . 3.5 m-30 -89.91 -27.45 19.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 74.140000000000001 110.908 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.614 HG13 ' O ' ' A' ' 38' ' ' ALA . 95.0 t -126.15 -45.11 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.13 -0.486 . . . . 64.209999999999994 111.137 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.97 -33.31 62.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 52.420000000000002 110.884 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -108.04 -66.43 1.04 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 72.040000000000006 110.903 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.501 HD13 ' O ' ' A' ' 31' ' ' SER . 7.5 mp -52.08 -54.21 33.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 75.099999999999994 110.908 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 112.15 15.13 10.1 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.736 -0.745 . . . . 31.23 112.483 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.614 ' O ' HG13 ' A' ' 33' ' ' VAL . . . -57.25 172.8 0.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.773 0.321 . . . . 52.149999999999999 111.111 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -136.28 -76.52 0.43 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 74.549999999999997 110.877 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.597 ' O ' HG22 ' A' ' 44' ' ' VAL . 1.3 m -138.63 -48.46 0.52 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 65.409999999999997 110.857 -179.78 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.1 mt -68.83 -32.84 72.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 74.010000000000005 110.909 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.427 ' HB2' ' HB1' ' A' ' 38' ' ' ALA . 5.7 m-20 -68.41 -52.71 29.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 63.439999999999998 110.8 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -57.48 -55.51 33.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 71.120000000000005 111.129 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.597 HG22 ' O ' ' A' ' 40' ' ' SER . 35.0 m -57.99 -35.56 52.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 63.329999999999998 111.126 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -61.22 -46.12 91.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 73.219999999999999 110.865 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.443 HD12 ' CE2' ' A' ' 32' ' ' PHE . 49.5 mt -62.57 -48.62 78.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 73.239999999999995 110.877 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.559 HG13 ' CG2' ' A' ' 58' ' ' ILE . 98.4 t -51.83 -49.01 38.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 64.019999999999996 111.126 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 31.7 mtp -60.59 -47.07 87.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 65.420000000000002 110.888 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.85 -33.74 62.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 65.430000000000007 111.155 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 80.1 mt -70.92 -54.64 10.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 73.349999999999994 110.893 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -65.55 -13.22 58.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 75.439999999999998 110.848 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -94.1 -51.97 4.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 75.439999999999998 110.929 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -76.66 -56.76 4.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 75.099999999999994 110.894 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -75.81 -6.09 49.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 54.140000000000001 110.866 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 53.81 27.6 7.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 61.329999999999998 110.87 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.1 t -87.08 169.86 12.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 51.420000000000002 111.167 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 48.3 mm-40 -105.19 112.44 25.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 75.120000000000005 110.887 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.559 ' CG2' HG13 ' A' ' 47' ' ' VAL . 61.2 mt -135.74 84.07 33.81 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.605 0.717 . . . . 71.409999999999997 111.092 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -173.53 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.688 2.259 . . . . 63.299999999999997 112.342 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -53.15 -50.7 64.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 61.109999999999999 110.844 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -52.38 -63.63 1.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 72.239999999999995 110.901 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -60.93 -18.33 56.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 73.530000000000001 110.931 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -81.77 -24.14 36.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 72.0 111.125 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -84.04 -26.32 29.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 62.100000000000001 110.933 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.5 pttp -83.95 -34.95 24.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.09 -0.505 . . . . 71.409999999999997 110.919 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.428 HD11 ' HB2' ' A' ' 75' ' ' TYR . 31.3 mm -77.09 88.87 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 63.109999999999999 111.143 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.488 ' O ' HG23 ' A' ' 68' ' ' THR . 63.4 p -136.6 30.0 2.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 74.230000000000004 111.135 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.634 HG22 ' HA ' ' A' ' 31' ' ' SER . 1.1 p -158.58 147.4 18.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 73.299999999999997 111.147 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.459 HG21 ' HB3' ' A' ' 30' ' ' ALA . 39.5 t -50.0 -60.32 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 61.399999999999999 111.096 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.7 tp60 -51.17 -42.06 60.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 64.230000000000004 110.931 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.2 -44.3 92.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.482 . . . . 62.020000000000003 111.097 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.5 -56.09 12.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 53.340000000000003 111.061 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 6.5 tp -54.53 -32.69 25.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 74.450000000000003 111.183 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -71.38 -49.21 44.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.486 . . . . 73.030000000000001 110.878 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.428 ' HB2' HD11 ' A' ' 66' ' ' ILE . 5.6 t80 -54.52 -57.93 9.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 72.319999999999993 110.881 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 67.7 t -57.84 -52.04 62.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 64.0 111.104 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -52.79 -30.84 35.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 73.099999999999994 110.865 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 38.6 m -84.5 -32.2 24.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 64.150000000000006 110.875 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 20.7 m80 -95.04 57.63 2.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 65.349999999999994 110.905 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 62.210000000000001 110.9 -179.903 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.9 t . . . . . 0 C--O 1.23 0.034 0 CA-C-O 120.922 0.391 . . . . 51.539999999999999 110.927 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -73.24 -50.96 19.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.089 -0.505 . . . . 53.530000000000001 110.873 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.657 ' O ' HG23 ' A' ' 11' ' ' VAL . 65.8 mt -54.09 -51.7 44.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 71.109999999999999 111.15 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -50.07 -44.47 51.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.482 . . . . 72.239999999999995 110.863 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -66.2 -53.61 35.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 53.340000000000003 110.857 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.725 ' O ' HD12 ' A' ' 14' ' ' ILE . 3.0 mmm-85 -54.64 -58.08 8.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 74.349999999999994 110.865 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 7' ' ' ILE . 40.4 t -49.53 -58.86 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 72.209999999999994 111.106 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.695 ' O ' HG23 ' A' ' 16' ' ' VAL . 0.1 OUTLIER -54.12 -42.75 69.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 71.010000000000005 110.884 179.894 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.8 ttpt -51.45 -52.02 49.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 63.119999999999997 110.905 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.725 HD12 ' O ' ' A' ' 10' ' ' ARG . 2.7 mp -59.08 -54.23 37.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 64.519999999999996 111.138 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.451 HD11 HG12 ' A' ' 11' ' ' VAL . 5.8 mt -52.19 -28.85 11.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 53.240000000000002 111.094 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 12' ' ' LYS . 88.6 t -78.35 -43.63 26.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 74.409999999999997 111.128 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -71.27 -24.38 62.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.452 . . . . 73.150000000000006 110.894 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -82.17 -53.6 5.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 71.409999999999997 110.878 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.65 HD11 ' CG ' ' A' ' 42' ' ' ASP . 8.3 mp -83.99 -63.69 1.3 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 73.209999999999994 110.904 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 128.23 -15.7 6.1 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.729 -0.748 . . . . 74.409999999999997 112.481 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.441 ' O ' HG13 ' A' ' 16' ' ' VAL . 29.1 m -68.14 -175.17 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.868 0.366 . . . . 71.040000000000006 111.081 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.653 ' O ' HG23 ' A' ' 26' ' ' VAL . 2.2 t70 -93.88 137.44 33.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 54.049999999999997 110.897 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -60.16 -32.81 71.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 70.299999999999997 110.922 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.1 -62.89 1.49 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 54.100000000000001 111.107 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -52.73 -29.21 25.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 73.409999999999997 110.914 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 22' ' ' ASP . 60.8 t -72.82 85.24 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 74.120000000000005 111.157 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 46.3 mtmt -60.48 170.0 1.54 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 64.439999999999998 110.904 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -86.51 -27.24 24.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 53.299999999999997 110.871 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -94.33 37.84 1.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 63.210000000000001 110.865 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -119.4 -178.27 3.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 55.100000000000001 111.13 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.632 ' O ' HD23 ' A' ' 36' ' ' LEU . 43.5 t -132.07 163.55 28.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 64.099999999999994 110.838 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.574 ' HB2' HG22 ' A' ' 43' ' ' THR . 10.4 m-85 -71.22 -36.7 71.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 73.310000000000002 110.891 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.541 HG13 ' O ' ' A' ' 38' ' ' ALA . 84.7 t -126.99 -40.24 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 65.430000000000007 111.15 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -52.86 -28.86 24.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 73.150000000000006 110.856 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -122.14 -62.31 1.4 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 71.239999999999995 110.919 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.632 HD23 ' O ' ' A' ' 31' ' ' SER . 3.1 mm? -51.62 -30.41 21.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 74.010000000000005 110.905 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 80.44 17.42 73.66 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.761 -0.733 . . . . 70.209999999999994 112.474 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.541 ' O ' HG13 ' A' ' 33' ' ' VAL . . . -70.91 -169.98 0.4 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.816 0.341 . . . . 62.049999999999997 111.078 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -108.01 162.68 13.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 70.530000000000001 110.873 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.93 -36.86 50.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 74.420000000000002 110.839 -179.745 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.497 HD13 ' O ' ' A' ' 41' ' ' LEU . 0.3 OUTLIER -51.78 -30.48 23.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 70.219999999999999 110.891 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.65 ' CG ' HD11 ' A' ' 19' ' ' LEU . 18.2 t0 -70.15 -58.17 4.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 74.230000000000004 110.888 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.713 ' O ' HG23 ' A' ' 47' ' ' VAL . 63.0 p -51.1 -36.23 39.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 73.439999999999998 111.13 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 73.3 t -68.96 -56.01 13.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 74.319999999999993 111.151 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -57.04 -31.21 64.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 70.219999999999999 110.9 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 82.5 mt -70.65 -47.21 61.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 75.109999999999999 110.903 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 43' ' ' THR . 87.0 t -57.52 -50.2 77.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 72.109999999999999 111.133 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 23.8 ptm -63.59 -36.34 83.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 63.109999999999999 110.897 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.72 -41.07 94.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 44.310000000000002 111.094 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 31.5 mt -68.49 -59.57 3.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 44.100000000000001 110.919 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -54.82 -23.82 20.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 72.230000000000004 110.867 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -85.14 -60.77 1.94 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 75.400000000000006 110.842 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -63.79 -62.66 1.51 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 64.040000000000006 110.859 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.405 ' CE1' HG11 ' A' ' 76' ' ' VAL . 12.7 m-85 -64.58 -15.56 61.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 72.109999999999999 110.877 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 61.89 45.91 7.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.499 . . . . 72.5 110.878 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 20.3 p -105.14 166.67 10.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 73.150000000000006 111.139 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 80.8 mt-10 -97.29 84.16 3.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.437 . . . . 72.030000000000001 110.904 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.636 HG21 HG13 ' A' ' 47' ' ' VAL . 51.0 mm -109.85 82.67 2.47 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.601 0.715 . . . . 71.120000000000005 111.166 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 176.59 6.6 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.672 2.248 . . . . 64.120000000000005 112.341 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -55.72 -42.71 75.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 73.040000000000006 110.9 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -56.29 -57.05 13.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 72.109999999999999 110.87 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -75.52 -5.21 44.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 72.439999999999998 110.885 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -84.73 -34.35 22.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 62.009999999999998 111.127 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 -70.84 -28.88 64.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 74.420000000000002 110.895 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.3 ptpt -82.68 -34.54 27.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 72.209999999999994 110.878 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 46.7 mm -91.81 80.75 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 73.049999999999997 111.101 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 55.3 p -126.49 19.04 7.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 51.439999999999998 111.165 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.583 HG22 ' OG ' ' A' ' 31' ' ' SER . 19.3 p -140.39 158.86 43.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 52.420000000000002 111.14 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 27.6 t -54.89 -61.02 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 70.140000000000001 111.145 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -51.77 -41.46 61.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 73.319999999999993 110.921 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.23 -46.33 87.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 70.540000000000006 111.084 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.08 -57.69 7.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 50.539999999999999 111.078 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 1.7 tp -53.39 -32.64 20.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 74.510000000000005 111.136 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -69.7 -50.8 40.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 73.209999999999994 110.871 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -53.83 -59.87 4.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 63.5 110.93 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.405 HG11 ' CE1' ' A' ' 54' ' ' PHE . 29.0 t -55.11 -48.98 75.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.093 -0.503 . . . . 72.519999999999996 111.096 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -60.23 -26.14 66.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 74.010000000000005 110.858 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.1 p -86.45 -27.97 23.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 72.299999999999997 110.85 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 13.6 m80 -98.38 62.48 1.47 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 53.109999999999999 110.89 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 73.319999999999993 110.91 -179.922 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.9 m . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.904 0.383 . . . . 63.119999999999997 110.876 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -60.67 -55.9 27.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 75.010000000000005 110.882 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.426 ' O ' HG23 ' A' ' 11' ' ' VAL . 7.5 mt -53.75 -42.4 51.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 73.150000000000006 111.131 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -52.02 -54.87 24.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 71.349999999999994 110.909 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.8 tp10 -63.27 -36.11 82.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 73.140000000000001 110.871 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.601 ' O ' HD12 ' A' ' 14' ' ' ILE . 1.4 tpp180 -64.52 -65.3 0.69 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.148 -0.478 . . . . 74.010000000000005 110.844 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.827 HG21 HD12 ' A' ' 73' ' ' ILE . 43.8 t -48.9 -46.65 16.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 63.32 111.131 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.594 ' O ' HG23 ' A' ' 16' ' ' VAL . 4.5 mptt -59.63 -42.41 92.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 74.230000000000004 110.928 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 30.4 ttmt -56.04 -48.56 75.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 64.140000000000001 110.888 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.601 HD12 ' O ' ' A' ' 10' ' ' ARG . 3.1 mp -60.36 -49.78 82.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 60.310000000000002 111.102 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.992 HG23 HD12 ' A' ' 19' ' ' LEU . 13.1 mt -60.71 -36.53 71.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 75.099999999999994 111.122 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 12' ' ' LYS . 99.0 t -78.23 -22.73 13.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 63.409999999999997 111.146 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -91.83 -14.03 30.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 71.239999999999995 110.904 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.728 ' OE1' HD23 ' A' ' 46' ' ' LEU . 2.3 mt-30 -112.21 -64.71 1.26 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 74.329999999999998 110.89 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.992 HD12 HG23 ' A' ' 15' ' ' ILE . 42.2 mt -67.35 -36.32 81.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 73.329999999999998 110.895 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.43 -26.93 22.69 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.702 -0.761 . . . . 74.450000000000003 112.498 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.529 ' O ' HG22 ' A' ' 16' ' ' VAL . 28.4 m -51.2 162.2 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.819 0.342 . . . . 72.329999999999998 111.131 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -85.06 145.62 27.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 74.310000000000002 110.895 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.458 ' O ' HG12 ' A' ' 26' ' ' VAL . 8.3 pt-20 -61.24 -19.04 61.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 64.019999999999996 110.86 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.51 -53.45 4.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 74.099999999999994 111.115 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -58.12 -39.63 79.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 74.510000000000005 110.872 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.458 HG12 ' O ' ' A' ' 23' ' ' GLU . 9.5 p -51.68 141.29 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 74.310000000000002 111.178 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 45.5 mttm -118.63 127.38 53.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 64.420000000000002 110.848 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -62.48 -22.31 66.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 73.099999999999994 110.883 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -94.87 27.24 3.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 70.420000000000002 110.892 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -119.19 -178.75 3.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 64.200000000000003 111.048 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.778 ' HB3' HG22 ' A' ' 68' ' ' THR . 0.8 OUTLIER -122.24 -170.11 2.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 72.109999999999999 110.911 -179.837 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.575 ' HD2' HG22 ' A' ' 43' ' ' THR . 9.8 m-85 -100.82 -44.49 5.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 73.420000000000002 110.887 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.622 HG12 ' O ' ' A' ' 38' ' ' ALA . 9.1 m -119.23 -33.13 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 73.319999999999993 111.108 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -64.39 -24.87 67.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 72.109999999999999 110.883 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -122.84 -65.61 1.09 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 44.009999999999998 110.857 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.751 HD23 ' O ' ' A' ' 31' ' ' SER . 4.0 mm? -56.92 -24.9 55.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 43.140000000000001 110.886 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 72.33 25.01 75.42 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.718 -0.753 . . . . 13.34 112.524 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.622 ' O ' HG12 ' A' ' 33' ' ' VAL . . . -66.38 -170.96 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.78 0.324 . . . . 70.120000000000005 111.09 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -107.44 165.46 11.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.192 -0.458 . . . . 71.040000000000006 110.868 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 51.0 m -52.0 -41.25 62.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 53.420000000000002 110.838 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.7 tp -56.66 -33.6 66.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.187 -0.461 . . . . 74.099999999999994 110.9 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.453 ' CG ' ' HB1' ' A' ' 38' ' ' ALA . 1.8 m-20 -64.87 -56.94 10.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 74.420000000000002 110.85 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.575 HG22 ' HD2' ' A' ' 32' ' ' PHE . 7.8 p -52.5 -55.5 21.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 75.400000000000006 111.166 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.7 m -57.57 -34.33 46.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 63.219999999999999 111.066 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -61.21 -48.19 82.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 75.540000000000006 110.856 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.728 HD23 ' OE1' ' A' ' 18' ' ' GLN . 42.2 mt -63.07 -45.61 91.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 70.019999999999996 110.899 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 43' ' ' THR . 60.9 t -53.01 -50.79 43.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 71.140000000000001 111.138 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -47.54 85.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 53.009999999999998 110.851 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.474 ' HB1' HG12 ' A' ' 14' ' ' ILE . . . -54.99 -34.07 63.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 61.25 111.1 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.727 HD22 HG11 ' A' ' 76' ' ' VAL . 80.6 mt -70.65 -51.74 25.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 74.409999999999997 110.922 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -70.64 -10.33 59.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 64.140000000000001 110.905 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -96.73 -46.13 6.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.462 . . . . 73.140000000000001 110.889 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -85.77 -55.57 3.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 75.019999999999996 110.904 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -79.64 -2.91 44.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 71.030000000000001 110.918 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 50.99 34.17 10.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.088 -0.506 . . . . 73.150000000000006 110.847 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.804 HG21 HG12 ' A' ' 76' ' ' VAL . 3.7 p -69.6 -17.79 63.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 73.239999999999995 111.165 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 54.64 24.91 5.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 63.420000000000002 110.896 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.434 HD11 ' CD1' ' A' ' 75' ' ' TYR . 36.2 mm -44.26 104.15 0.37 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.625 0.726 . . . . 62.509999999999998 111.125 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -169.32 0.32 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.724 2.282 . . . . 74.239999999999995 112.31 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -68.48 -53.44 23.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 73.0 110.883 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -51.76 -47.9 63.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 61.140000000000001 110.863 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -70.79 -37.81 73.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 61.310000000000002 110.919 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -52.15 -45.59 65.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.102 -0.499 . . . . 63.130000000000003 111.113 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -56.73 -24.92 53.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 73.439999999999998 110.88 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.0 mtpp -79.97 -45.65 18.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 73.129999999999995 110.883 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.79 HD12 ' HA ' ' A' ' 72' ' ' ALA . 47.2 mm -72.94 77.58 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 72.129999999999995 111.147 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 26.1 p -110.03 -15.78 13.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 54.119999999999997 111.15 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.778 HG22 ' HB3' ' A' ' 31' ' ' SER . 47.7 p -122.5 -176.55 3.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.241 -0.436 . . . . 73.420000000000002 111.13 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.42 ' O ' HG22 ' A' ' 73' ' ' ILE . 62.1 t -78.68 -57.89 4.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 53.119999999999997 111.128 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -50.25 -38.78 42.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 73.430000000000007 110.908 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.31 -51.09 62.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 71.299999999999997 111.06 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.79 ' HA ' HD12 ' A' ' 66' ' ' ILE . . . -61.9 -57.91 9.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 53.299999999999997 111.12 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.827 HD12 HG21 ' A' ' 11' ' ' VAL . 1.2 tp -52.86 -35.77 22.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 44.439999999999998 111.107 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -67.87 -39.3 83.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.481 . . . . 63.399999999999999 110.87 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.434 ' CD1' HD11 ' A' ' 58' ' ' ILE . 2.0 t80 -65.18 -65.19 0.7 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 74.230000000000004 110.905 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.804 HG12 HG21 ' A' ' 56' ' ' THR . 17.4 m -51.03 -42.45 24.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 72.530000000000001 111.147 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.416 ' N ' HG23 ' A' ' 76' ' ' VAL . 27.1 t-20 -62.63 -39.72 94.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 73.349999999999994 110.92 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 17.6 t -75.3 -25.84 58.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 63.310000000000002 110.87 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 14.3 m80 -105.91 61.75 0.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 70.040000000000006 110.876 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 75.200000000000003 110.9 -179.938 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.488 -0.245 . . . . 53.32 112.488 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.436 HG23 ' HD2' ' A' ' 3' ' ' PRO . 49.9 mm -112.67 133.19 21.94 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.619 0.723 . . . . 74.25 111.098 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.436 ' HD2' HG23 ' A' ' 2' ' ' ILE . 53.3 Cg_endo -69.8 142.24 47.22 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.723 2.282 . . . . 73.209999999999994 112.294 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -56.01 -25.24 43.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 72.219999999999999 110.876 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.0 m -65.5 -25.84 67.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 52.210000000000001 110.837 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -84.09 -50.05 8.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.478 . . . . 75.200000000000003 110.896 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.645 ' O ' HG23 ' A' ' 11' ' ' VAL . 50.2 mt -58.5 -39.83 76.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 73.409999999999997 111.113 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -56.03 -54.88 39.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 72.400000000000006 110.891 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -64.85 -37.94 89.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 74.019999999999996 110.926 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.733 ' O ' HD12 ' A' ' 14' ' ' ILE . 2.9 mmm180 -62.6 -63.36 1.25 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 71.329999999999998 110.877 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 7' ' ' ILE . 39.8 t -50.33 -49.3 23.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 72.219999999999999 111.122 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.683 ' O ' HG23 ' A' ' 16' ' ' VAL . 0.4 OUTLIER -59.28 -44.32 92.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 74.409999999999997 110.882 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.7 ttmm -51.96 -53.43 41.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 71.349999999999994 110.86 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.733 HD12 ' O ' ' A' ' 10' ' ' ARG . 2.5 mp -58.18 -54.33 33.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 74.310000000000002 111.136 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 57.0 mt -51.07 -30.44 9.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 61.210000000000001 111.143 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.683 HG23 ' O ' ' A' ' 12' ' ' LYS . 97.6 t -78.7 -37.46 20.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 53.520000000000003 111.136 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -73.9 -25.49 60.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 73.5 110.918 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 -83.44 -49.15 9.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 71.420000000000002 110.909 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.766 HD11 HD23 ' A' ' 36' ' ' LEU . 63.3 mt -85.79 -62.69 1.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 74.129999999999995 110.902 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 112.11 17.73 8.16 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.754 -0.736 . . . . 53.329999999999998 112.493 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 19.7 m -106.87 -174.31 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.843 0.354 . . . . 72.140000000000001 111.127 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -80.89 124.73 29.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 72.420000000000002 110.831 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -54.89 -26.86 38.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 71.319999999999993 110.852 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.93 -54.72 34.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 72.040000000000006 111.116 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -51.93 -30.59 25.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 62.25 110.913 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 61.2 t -67.73 104.2 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 75.420000000000002 111.161 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.0 mmmt -77.53 146.63 36.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 74.340000000000003 110.929 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -70.97 -44.46 65.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 65.0 110.877 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -70.18 -25.88 63.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 70.129999999999995 110.874 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.416 ' HB1' ' CB ' ' A' ' 35' ' ' ASP . . . -71.26 165.75 23.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 64.409999999999997 111.136 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.66 ' OG ' HG22 ' A' ' 68' ' ' THR . 9.3 t -105.68 -172.48 2.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 73.0 110.843 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.719 ' HA ' HD22 ' A' ' 36' ' ' LEU . 14.9 m-85 -86.32 -21.73 27.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 63.210000000000001 110.878 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.655 HG12 ' O ' ' A' ' 38' ' ' ALA . 17.8 m -119.35 -36.22 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 72.530000000000001 111.143 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -51.81 -66.61 0.35 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 73.549999999999997 110.906 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.416 ' CB ' ' HB1' ' A' ' 30' ' ' ALA . 8.4 t70 -91.23 -52.81 4.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 73.5 110.862 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.766 HD23 HD11 ' A' ' 19' ' ' LEU . 6.6 mp -51.71 -37.62 51.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 75.319999999999993 110.915 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 78.51 20.99 70.49 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.685 -0.769 . . . . 53.100000000000001 112.456 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.655 ' O ' HG12 ' A' ' 33' ' ' VAL . . . -78.84 -175.2 4.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.835 0.35 . . . . 45.119999999999997 111.091 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -114.63 177.31 4.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 55.25 110.872 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.518 ' O ' HG23 ' A' ' 44' ' ' VAL . 1.4 m -52.46 -30.95 32.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 74.439999999999998 110.882 -179.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.8 tp -60.17 -42.87 95.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 55.340000000000003 110.921 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -58.29 -56.69 18.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 74.219999999999999 110.872 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.559 HG22 ' HD2' ' A' ' 32' ' ' PHE . 73.8 p -51.39 -55.71 17.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 73.030000000000001 111.101 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 40' ' ' SER . 61.5 t -54.54 -38.7 42.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 53.109999999999999 111.126 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.47 -46.1 89.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.475 . . . . 75.329999999999998 110.886 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.565 HD12 ' CE2' ' A' ' 32' ' ' PHE . 25.7 mt -65.29 -38.8 91.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 74.340000000000003 110.884 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.613 HG13 HG21 ' A' ' 58' ' ' ILE . 99.2 t -57.24 -58.82 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 71.219999999999999 111.128 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 18.0 ptm -57.59 -43.1 84.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 61.310000000000002 110.911 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.42 -35.33 69.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 73.420000000000002 111.068 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.671 HD22 HG21 ' A' ' 76' ' ' VAL . 57.7 mt -69.81 -53.8 16.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 64.5 110.909 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -66.78 -13.11 61.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 73.430000000000007 110.849 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -94.02 -48.62 6.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 74.129999999999995 110.877 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -81.57 -59.08 2.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.487 . . . . 73.120000000000005 110.865 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.622 ' HB3' HG23 ' A' ' 56' ' ' THR . 27.8 m-85 -72.9 -8.41 55.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 55.329999999999998 110.904 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.5 t70 53.62 38.4 28.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 64.439999999999998 110.863 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.622 HG23 ' HB3' ' A' ' 54' ' ' PHE . 58.8 p -91.46 163.8 14.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 43.329999999999998 111.129 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -94.7 84.94 4.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 73.099999999999994 110.885 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.613 HG21 HG13 ' A' ' 47' ' ' VAL . 50.4 mm -111.76 77.84 1.99 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.661 0.743 . . . . 73.349999999999994 111.122 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -170.65 0.41 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.719 2.279 . . . . 64.340000000000003 112.359 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -54.88 -49.71 70.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 65.340000000000003 110.917 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -55.37 -63.95 1.0 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 73.030000000000001 110.875 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -56.98 -23.32 45.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 73.109999999999999 110.901 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -77.69 -28.13 50.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 44.219999999999999 111.099 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -79.32 -29.58 42.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 74.340000000000003 110.87 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.9 pttt -84.97 -32.61 22.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 70.319999999999993 110.891 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 41.3 mm -91.14 81.18 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 73.150000000000006 111.121 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.2 t -123.58 12.79 9.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 73.140000000000001 111.153 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.66 HG22 ' OG ' ' A' ' 31' ' ' SER . 19.2 p -135.19 155.29 50.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 70.519999999999996 111.153 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.43 HG22 ' HE1' ' A' ' 32' ' ' PHE . 67.2 t -54.06 -60.61 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 71.400000000000006 111.179 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -51.31 -40.89 59.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 72.409999999999997 110.892 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.07 -46.9 82.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 74.209999999999994 111.123 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.84 -56.25 14.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 74.430000000000007 111.105 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.414 HD12 HG21 ' A' ' 11' ' ' VAL . 4.5 tp -54.93 -32.95 27.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 65.340000000000003 111.13 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -69.46 -47.44 63.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 74.230000000000004 110.899 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -57.65 -61.38 2.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 75.299999999999997 110.908 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.671 HG21 HD22 ' A' ' 50' ' ' LEU . 75.2 t -53.17 -51.82 35.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.5 . . . . 53.43 111.129 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.418 ' HA ' HD13 ' A' ' 7' ' ' ILE . 19.7 t-20 -56.71 -32.12 65.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 73.420000000000002 110.883 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 34.5 t -80.51 -26.85 37.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 63.030000000000001 110.862 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 17.4 m80 -103.51 64.28 0.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.5 . . . . 74.409999999999997 110.827 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 62.109999999999999 110.856 -179.905 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.492 -0.243 . . . . 43.32 112.492 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.425 HG23 ' HD2' ' A' ' 3' ' ' PRO . 5.2 mp -92.15 132.99 30.98 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.623 0.725 . . . . 72.420000000000002 111.126 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.425 ' HD2' HG23 ' A' ' 2' ' ' ILE . 54.0 Cg_endo -69.69 173.9 10.24 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.738 2.292 . . . . 73.439999999999998 112.324 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.7 mt -95.79 24.68 5.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 63.409999999999997 110.896 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.6 p -116.36 -19.69 10.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 75.140000000000001 110.854 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -85.42 -31.96 22.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.075 -0.512 . . . . 73.310000000000002 110.872 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.607 ' O ' HG23 ' A' ' 11' ' ' VAL . 6.6 mt -66.49 -48.14 81.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 71.400000000000006 111.121 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -51.19 -48.03 62.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 72.400000000000006 110.878 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -65.51 -49.38 69.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 75.109999999999999 110.89 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.652 ' O ' HD12 ' A' ' 14' ' ' ILE . 1.0 OUTLIER -55.82 -59.89 4.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 74.409999999999997 110.918 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.932 HG21 HD12 ' A' ' 73' ' ' ILE . 43.2 t -50.11 -59.57 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 70.230000000000004 111.09 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.666 ' HG3' HG11 ' A' ' 26' ' ' VAL . 0.9 OUTLIER -51.66 -46.4 63.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 73.420000000000002 110.855 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -49.77 -51.89 35.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 72.310000000000002 110.882 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.652 HD12 ' O ' ' A' ' 10' ' ' ARG . 3.3 mt -57.9 -58.68 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 54.219999999999999 111.112 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.732 HD12 ' O ' ' A' ' 11' ' ' VAL . 3.1 mt -52.92 -30.89 16.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 74.540000000000006 111.149 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.673 HG13 ' O ' ' A' ' 21' ' ' VAL . 78.1 t -80.03 -29.59 12.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 74.049999999999997 111.108 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -83.0 -20.14 35.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 74.25 110.863 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -91.02 -56.93 2.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 63.32 110.924 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.634 HD11 ' CG ' ' A' ' 42' ' ' ASP . 8.6 mp -76.63 -59.73 2.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 71.040000000000006 110.85 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 127.44 -18.71 6.04 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.739 -0.743 . . . . 35.240000000000002 112.47 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.673 ' O ' HG13 ' A' ' 16' ' ' VAL . 31.3 m -58.9 -177.37 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.796 0.332 . . . . 53.43 111.119 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -98.31 143.9 28.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.461 . . . . 65.219999999999999 110.847 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.651 ' O ' HG12 ' A' ' 26' ' ' VAL . 6.1 pt-20 -62.22 -17.53 58.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 72.219999999999999 110.865 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.61 -21.81 25.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 61.340000000000003 111.09 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -96.28 25.02 5.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.451 . . . . 75.530000000000001 110.93 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.666 HG11 ' HG3' ' A' ' 12' ' ' LYS . 9.2 p -122.69 143.35 35.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 71.299999999999997 111.086 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.9 mttm -118.66 173.22 6.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 73.420000000000002 110.94 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.414 ' OD1' HG21 ' A' ' 73' ' ' ILE . 0.7 OUTLIER -92.94 -42.91 9.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 71.420000000000002 110.892 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -66.96 -23.04 65.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 71.329999999999998 110.899 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.16 177.69 1.0 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 64.549999999999997 111.072 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.744 ' OG ' HG22 ' A' ' 68' ' ' THR . 42.4 t -132.44 170.47 15.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 74.239999999999995 110.811 -179.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.538 ' HB2' HG22 ' A' ' 43' ' ' THR . 11.1 m-30 -73.35 -35.42 66.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.09 -0.504 . . . . 70.409999999999997 110.834 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.529 HG22 ' C ' ' A' ' 38' ' ' ALA . 89.3 t -130.36 -39.3 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 63.409999999999997 111.121 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -51.59 -30.25 20.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 62.43 110.867 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -120.42 -61.58 1.56 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 63.049999999999997 110.891 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.665 HD23 ' O ' ' A' ' 31' ' ' SER . 3.2 mm? -51.77 -39.65 58.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 75.030000000000001 110.863 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 91.7 15.34 55.02 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.719 -0.753 . . . . 73.109999999999999 112.46 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.529 ' C ' HG22 ' A' ' 33' ' ' VAL . . . -67.85 -169.62 0.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.771 0.32 . . . . 72.430000000000007 111.127 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 42.7 p30 -111.5 165.17 12.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 45.240000000000002 110.877 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.642 ' O ' HG23 ' A' ' 44' ' ' VAL . 3.0 m -52.0 -31.6 30.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 53.5 110.825 -179.758 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.4 tp -58.97 -33.68 70.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.168 -0.469 . . . . 75.549999999999997 110.913 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.634 ' CG ' HD11 ' A' ' 19' ' ' LEU . 8.9 t0 -69.16 -46.51 67.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 72.430000000000007 110.824 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.65 ' O ' HG23 ' A' ' 47' ' ' VAL . 59.7 p -63.05 -32.27 73.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 44.009999999999998 111.169 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 40' ' ' SER . 86.3 t -70.95 -52.69 25.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 74.230000000000004 111.114 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -59.75 -32.8 70.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 73.400000000000006 110.875 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 60.2 mt -69.72 -56.99 5.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 73.319999999999993 110.915 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 43' ' ' THR . 97.2 t -50.9 -42.27 23.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 60.420000000000002 111.141 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 2.4 mmm -66.88 -44.21 81.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 73.150000000000006 110.816 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.25 -30.47 66.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 73.340000000000003 111.1 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.636 HD22 HG11 ' A' ' 76' ' ' VAL . 52.9 mt -76.1 -55.37 5.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 74.209999999999994 110.906 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -61.03 -18.09 55.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 24.039999999999999 110.91 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 28.1 tp10 -95.15 -56.41 2.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 72.409999999999997 110.886 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -66.52 -57.39 7.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 61.210000000000001 110.876 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -76.54 -5.3 47.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 71.219999999999999 110.896 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.1 t0 50.66 49.19 21.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 71.219999999999999 110.869 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.2 t -108.71 134.37 51.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 64.319999999999993 111.167 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -63.04 111.96 2.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 63.409999999999997 110.864 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.62 HG21 HG13 ' A' ' 47' ' ' VAL . 43.1 mm -131.64 78.05 71.71 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.653 0.74 . . . . 72.030000000000001 111.146 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -171.21 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.615 2.21 . . . . 75.420000000000002 112.372 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -54.73 -54.09 46.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 72.430000000000007 110.873 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -51.92 -64.07 0.93 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 74.049999999999997 110.91 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -55.88 -25.35 42.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 75.120000000000005 110.869 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.56 -26.11 54.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 73.099999999999994 111.09 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -82.61 -27.75 31.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.248 -0.433 . . . . 73.420000000000002 110.907 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.1 ptmt -87.43 -32.89 19.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 72.109999999999999 110.917 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 32.0 mm -87.46 90.66 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 52.219999999999999 111.127 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.8 t -134.49 16.28 3.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.167 -0.47 . . . . 61.210000000000001 111.123 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.744 HG22 ' OG ' ' A' ' 31' ' ' SER . 49.4 p -137.59 178.12 7.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 73.329999999999998 111.152 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.496 ' O ' HG22 ' A' ' 73' ' ' ILE . 61.0 t -74.81 -61.53 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 74.319999999999993 111.148 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 22.9 tp60 -50.99 -39.19 55.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 71.420000000000002 110.931 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.89 -48.08 72.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 70.319999999999993 111.094 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.506 ' HB1' HD11 ' A' ' 50' ' ' LEU . . . -65.56 -58.81 4.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 74.549999999999997 111.119 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.932 HD12 HG21 ' A' ' 11' ' ' VAL . 1.7 tp -51.32 -37.1 17.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 74.319999999999993 111.154 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -67.26 -44.02 80.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 73.219999999999999 110.902 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -59.93 -64.85 0.8 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 72.129999999999995 110.926 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.636 HG11 HD22 ' A' ' 50' ' ' LEU . 20.3 m -51.92 -40.03 27.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 73.219999999999999 111.132 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -61.71 -45.68 92.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.168 -0.469 . . . . 51.109999999999999 110.901 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 39.6 t -70.78 -28.74 64.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 62.520000000000003 110.848 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 20.4 m80 -99.08 62.52 1.28 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 64.420000000000002 110.854 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 72.400000000000006 110.923 -179.924 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.473 -0.251 . . . . 64.030000000000001 112.473 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.443 HG23 ' HD2' ' A' ' 3' ' ' PRO . 60.7 mt -114.62 133.06 22.59 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.58 0.705 . . . . 73.25 111.175 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.443 ' HD2' HG23 ' A' ' 2' ' ' ILE . 53.3 Cg_endo -69.79 176.9 6.18 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.711 2.274 . . . . 63.350000000000001 112.348 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.496 ' H ' HD12 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -97.03 27.84 3.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 73.209999999999994 110.948 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.0 m -128.44 -43.83 1.41 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 61.119999999999997 110.904 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -54.87 -56.88 14.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.067 -0.515 . . . . 33.039999999999999 110.907 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.65 ' O ' HG23 ' A' ' 11' ' ' VAL . 48.4 mt -54.76 -40.46 51.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 60.420000000000002 111.128 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -53.83 -60.94 2.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.484 . . . . 65.099999999999994 110.921 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -59.27 -41.45 88.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 74.230000000000004 110.906 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -58.67 -65.57 0.64 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 73.019999999999996 110.86 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 7' ' ' ILE . 42.0 t -48.19 -41.15 10.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 62.439999999999998 111.128 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.559 ' O ' HG23 ' A' ' 16' ' ' VAL . 0.1 OUTLIER -59.35 -41.34 89.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 71.450000000000003 110.874 179.932 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.9 ttmt -65.0 -36.36 84.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 70.319999999999993 110.92 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 13.6 mm -63.56 -48.89 84.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 34.119999999999997 111.144 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.446 HG23 HD13 ' A' ' 19' ' ' LEU . 5.2 mt -67.1 -38.79 81.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 61.350000000000001 111.143 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 12' ' ' LYS . 94.1 t -73.34 -23.64 19.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 35.240000000000002 111.132 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -87.06 -26.12 23.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 74.129999999999995 110.897 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -89.6 -66.08 0.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 73.219999999999999 110.918 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.559 ' CD2' HD13 ' A' ' 36' ' ' LEU . 10.7 mp -57.42 -48.34 79.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 75.239999999999995 110.873 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 108.67 -15.54 34.64 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.715 -0.755 . . . . 55.340000000000003 112.473 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.491 ' O ' HG13 ' A' ' 16' ' ' VAL . 33.7 m -58.28 -175.99 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.804 0.335 . . . . 72.439999999999998 111.143 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -96.11 144.24 26.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 73.030000000000001 110.86 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.623 ' O ' HG12 ' A' ' 26' ' ' VAL . 12.4 pt-20 -63.26 -16.49 60.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 62.210000000000001 110.868 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.93 -18.54 43.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 64.340000000000003 111.079 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -99.42 43.02 1.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 74.329999999999998 110.885 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.623 HG12 ' O ' ' A' ' 23' ' ' GLU . 8.1 p -131.06 153.51 39.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 71.099999999999994 111.127 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.533 ' HG2' ' HB2' ' A' ' 30' ' ' ALA . 0.7 OUTLIER -154.83 159.53 40.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 73.430000000000007 110.89 179.916 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -80.14 -1.89 42.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 75.510000000000005 110.916 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -114.49 22.38 13.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 72.540000000000006 110.873 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.533 ' HB2' ' HG2' ' A' ' 27' ' ' LYS . . . -109.98 157.13 19.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 72.340000000000003 111.067 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.1 t -91.96 -169.96 2.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 75.349999999999994 110.865 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.663 ' CE2' HD13 ' A' ' 46' ' ' LEU . 3.2 m-30 -103.4 -32.88 9.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 73.439999999999998 110.88 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.691 HG23 ' O ' ' A' ' 38' ' ' ALA . 9.3 p -127.48 -36.25 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 73.129999999999995 111.113 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -64.31 -28.1 69.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 72.099999999999994 110.882 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -110.02 -68.73 0.91 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 72.450000000000003 110.919 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.559 HD13 ' CD2' ' A' ' 19' ' ' LEU . 34.8 mt -51.68 -29.95 20.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 71.340000000000003 110.909 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 78.32 18.18 76.63 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.76 -0.733 . . . . 74.329999999999998 112.486 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.691 ' O ' HG23 ' A' ' 33' ' ' VAL . . . -66.36 -169.66 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.78 0.324 . . . . 61.100000000000001 111.086 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -131.23 177.32 7.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 71.329999999999998 110.853 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.61 ' O ' HG23 ' A' ' 44' ' ' VAL . 5.1 m -51.84 -34.31 39.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 53.240000000000002 110.822 -179.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.4 tp -64.46 -43.11 95.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 75.25 110.915 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.612 ' CB ' ' HB1' ' A' ' 38' ' ' ALA . 4.4 m-20 -63.27 -53.82 46.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 63.119999999999997 110.863 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -51.76 -55.28 20.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 74.329999999999998 111.156 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 40' ' ' SER . 57.3 t -56.12 -44.44 78.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 73.030000000000001 111.133 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.51 -39.79 73.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 53.210000000000001 110.864 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.663 HD13 ' CE2' ' A' ' 32' ' ' PHE . 37.4 mt -66.03 -50.09 65.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 61.420000000000002 110.893 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.62 HG13 ' CG2' ' A' ' 58' ' ' ILE . 96.7 t -51.38 -56.1 6.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 61.439999999999998 111.125 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 21.7 ptp -59.8 -37.31 78.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 44.43 110.865 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.65 -33.56 72.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 72.109999999999999 111.109 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.458 ' HB2' HD12 ' A' ' 58' ' ' ILE . 95.3 mt -75.27 -57.35 3.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 72.230000000000004 110.923 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -59.47 -19.57 48.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 71.409999999999997 110.914 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -93.14 -59.71 1.97 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 61.240000000000002 110.892 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -64.18 -59.38 4.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 64.109999999999999 110.911 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -74.14 -7.53 52.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 73.019999999999996 110.876 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 59.15 35.2 23.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.12 -0.491 . . . . 71.329999999999998 110.827 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 31.6 p -92.52 176.22 6.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 71.329999999999998 111.102 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -112.98 84.59 2.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 71.030000000000001 110.9 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.62 ' CG2' HG13 ' A' ' 47' ' ' VAL . 50.8 mt -110.35 82.48 2.73 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.634 0.731 . . . . 74.120000000000005 111.137 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 -170.42 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.638 2.226 . . . . 74.349999999999994 112.339 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -65.5 -37.65 87.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 71.420000000000002 110.838 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -61.12 -51.76 67.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 74.299999999999997 110.868 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.64 -28.99 62.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 64.340000000000003 110.874 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.12 -44.51 97.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 52.119999999999997 111.103 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.73 -21.93 43.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 75.400000000000006 110.933 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.8 mtmt -84.74 -50.11 7.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 71.099999999999994 110.904 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.616 HD12 ' HA ' ' A' ' 72' ' ' ALA . 43.7 mm -63.93 92.77 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 74.219999999999999 111.123 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.521 HG23 HG23 ' A' ' 68' ' ' THR . 8.9 t -138.64 15.5 2.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 74.329999999999998 111.131 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.521 HG23 HG23 ' A' ' 67' ' ' THR . 70.9 p -150.39 153.12 35.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.242 -0.435 . . . . 75.209999999999994 111.165 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.51 HG21 ' O ' ' A' ' 27' ' ' LYS . 30.0 t -53.51 -49.28 55.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 71.200000000000003 111.139 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.09 -46.25 91.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 74.129999999999995 110.895 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.24 -38.57 89.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 55.520000000000003 111.084 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.616 ' HA ' HD12 ' A' ' 66' ' ' ILE . . . -71.89 -57.99 3.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 75.510000000000005 111.121 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.436 HD12 HG22 ' A' ' 7' ' ' ILE . 2.4 tp -53.78 -30.6 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 71.409999999999997 111.178 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -73.4 -53.45 10.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 63.049999999999997 110.812 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.564 ' HB2' HD11 ' A' ' 66' ' ' ILE . 12.0 t80 -51.81 -53.83 35.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 74.219999999999999 110.932 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 66.5 t -60.84 -52.94 55.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 63.109999999999999 111.163 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -55.21 -26.66 40.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 53.450000000000003 110.924 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.7 t -88.91 -26.99 21.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 45.43 110.876 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 21.7 m80 -96.36 56.68 1.6 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.5 . . . . 75.519999999999996 110.849 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 72.510000000000005 110.888 -179.931 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.54 -0.224 . . . . 70.430000000000007 112.54 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.42 HG23 ' HD2' ' A' ' 3' ' ' PRO . 2.9 mt 65.28 132.81 0.03 OUTLIER Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.635 0.731 . . . . 74.239999999999995 111.13 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.42 ' HD2' HG23 ' A' ' 2' ' ' ILE . 53.2 Cg_endo -69.76 141.85 46.35 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.727 2.285 . . . . 62.520000000000003 112.342 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -56.08 -25.12 44.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 74.319999999999993 110.951 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.8 p -66.47 -44.99 81.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 75.439999999999998 110.862 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -69.9 -46.93 64.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 64.439999999999998 110.881 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.72 ' O ' HG23 ' A' ' 11' ' ' VAL . 63.5 mt -52.17 -53.35 19.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 75.420000000000002 111.132 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -52.21 -59.24 4.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 73.299999999999997 110.913 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -53.57 -47.04 70.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.49 . . . . 72.129999999999995 110.866 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.736 ' O ' HD12 ' A' ' 14' ' ' ILE . 14.7 mmm180 -57.81 -52.05 67.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 73.25 110.9 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.747 ' O ' HD12 ' A' ' 15' ' ' ILE . 98.7 t -48.47 -56.82 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 73.439999999999998 111.103 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.659 ' O ' HG23 ' A' ' 16' ' ' VAL . 62.3 mmtt -52.26 -48.96 64.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 75.540000000000006 110.89 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.1 ttmt -51.59 -54.37 28.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 75.329999999999998 110.932 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.736 HD12 ' O ' ' A' ' 10' ' ' ARG . 2.9 mt -51.44 -60.45 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 71.319999999999993 111.119 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.747 HD12 ' O ' ' A' ' 11' ' ' VAL . 3.1 mt -51.83 -29.06 10.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 71.120000000000005 111.143 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 12' ' ' LYS . 78.6 t -79.35 -33.23 15.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 65.219999999999999 111.115 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -80.01 -29.24 39.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 72.140000000000001 110.884 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -80.6 -51.75 8.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 75.0 110.935 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.681 HD11 HD23 ' A' ' 36' ' ' LEU . 65.8 mt -81.53 -51.79 7.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 72.439999999999998 110.88 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.09 -16.87 27.38 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.76 -0.733 . . . . 53.32 112.523 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.469 ' O ' HG13 ' A' ' 16' ' ' VAL . 18.7 m -70.33 -175.02 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.773 0.32 . . . . 55.310000000000002 111.143 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -93.59 137.1 33.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 74.120000000000005 110.863 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -54.17 -35.84 62.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 74.219999999999999 110.9 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.47 -58.76 5.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 55.539999999999999 111.071 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -53.04 -39.6 63.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 71.25 110.847 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 62.0 t -66.69 114.1 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 73.25 111.128 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.7 mtmm -92.24 151.24 20.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 62.32 110.843 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -67.99 -31.2 70.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 53.340000000000003 110.907 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -96.32 28.21 3.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 71.019999999999996 110.911 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.506 ' HB1' ' CB ' ' A' ' 35' ' ' ASP . . . -115.01 139.6 49.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 63.200000000000003 111.084 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.604 ' HA ' HG22 ' A' ' 68' ' ' THR . 1.5 t -83.44 162.49 20.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 63.340000000000003 110.903 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.697 ' HA ' HD22 ' A' ' 36' ' ' LEU . 7.6 m-85 -75.77 -17.3 59.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 75.439999999999998 110.875 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.467 HG22 ' O ' ' A' ' 38' ' ' ALA . 25.1 t -123.7 -46.77 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 74.439999999999998 111.186 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -57.47 -67.65 0.31 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 70.099999999999994 110.889 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.506 ' CB ' ' HB1' ' A' ' 30' ' ' ALA . 2.9 m-20 -76.23 -63.16 1.39 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 74.010000000000005 110.855 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.697 HD22 ' HA ' ' A' ' 32' ' ' PHE . 6.8 mp -51.74 -74.85 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 64.239999999999995 110.929 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 119.89 32.32 1.2 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.755 -0.736 . . . . 72.25 112.44 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.51 ' HB1' ' HB2' ' A' ' 42' ' ' ASP . . . -97.91 172.25 7.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.834 0.35 . . . . 72.049999999999997 111.077 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -93.88 177.7 5.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 60.340000000000003 110.869 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.0 m -52.31 -39.25 60.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 63.109999999999999 110.839 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.45 HD13 ' O ' ' A' ' 41' ' ' LEU . 0.2 OUTLIER -51.63 -32.66 30.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 70.340000000000003 110.922 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.51 ' HB2' ' HB1' ' A' ' 38' ' ' ALA . 35.7 t0 -66.45 -56.26 11.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 70.319999999999993 110.854 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.562 HG22 ' HD2' ' A' ' 32' ' ' PHE . 82.8 p -51.71 -56.14 15.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 72.140000000000001 111.139 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.7 p -56.2 -38.83 56.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 72.439999999999998 111.12 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -57.72 -48.96 78.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 75.439999999999998 110.888 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.608 HD12 ' CE2' ' A' ' 32' ' ' PHE . 24.1 mt -60.43 -48.17 82.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 73.0 110.889 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.753 ' HA ' HD12 ' A' ' 50' ' ' LEU . 99.8 t -50.49 -49.73 23.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 62.439999999999998 111.103 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 44.4 mtp -59.29 -48.87 80.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 62.329999999999998 110.914 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.82 -32.0 59.88 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.236 -0.438 . . . . 75.329999999999998 111.072 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.753 HD12 ' HA ' ' A' ' 47' ' ' VAL . 11.8 mt -72.46 -46.3 55.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 54.329999999999998 110.963 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -78.46 -5.47 52.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 73.019999999999996 110.848 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -107.02 -24.68 11.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 73.030000000000001 110.921 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -108.29 -50.02 3.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 64.209999999999994 110.876 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.42 ' CD2' HG11 ' A' ' 76' ' ' VAL . 21.5 m-85 -86.49 -1.29 57.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 74.120000000000005 110.861 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.5 t70 51.75 30.18 6.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.129 -0.487 . . . . 73.530000000000001 110.897 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.743 HG21 HG12 ' A' ' 76' ' ' VAL . 4.5 t -94.63 122.07 36.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 72.140000000000001 111.1 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -64.29 118.55 8.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 62.450000000000003 110.867 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.557 HG21 HG13 ' A' ' 47' ' ' VAL . 48.1 mt -137.92 82.36 25.81 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.612 0.72 . . . . 61.219999999999999 111.14 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -169.31 0.32 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.649 2.233 . . . . 73.540000000000006 112.352 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -67.23 -35.37 79.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 73.209999999999994 110.832 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -65.52 -44.27 87.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 73.040000000000006 110.912 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -80.84 -22.61 39.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.485 . . . . 74.409999999999997 110.908 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.94 -46.54 65.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 74.299999999999997 111.056 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -52.12 -29.59 22.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.286 -0.415 . . . . 73.109999999999999 110.878 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.7 mttp -73.65 -48.6 31.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 65.219999999999999 110.86 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.482 HD12 ' HA ' ' A' ' 72' ' ' ALA . 50.3 mm -62.66 112.82 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.277 -0.419 . . . . 74.430000000000007 111.131 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 31.9 p -129.95 -38.47 1.45 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 74.420000000000002 111.175 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.604 HG22 ' HA ' ' A' ' 31' ' ' SER . 17.9 p -116.94 170.99 8.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 71.340000000000003 111.161 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 23.8 t -57.43 -49.82 79.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 55.210000000000001 111.152 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.7 tp60 -51.18 -42.79 61.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 54.0 110.876 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.83 -44.0 97.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 63.43 111.08 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.482 ' HA ' HD12 ' A' ' 66' ' ' ILE . . . -68.0 -58.35 4.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 72.230000000000004 111.104 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 3.3 tp -52.13 -33.44 16.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 74.099999999999994 111.122 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -70.91 -46.74 61.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 70.230000000000004 110.846 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -55.54 -55.58 30.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 75.109999999999999 110.929 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.743 HG12 HG21 ' A' ' 56' ' ' THR . 23.9 m -62.54 -38.43 81.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.487 . . . . 64.219999999999999 111.105 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -66.22 -24.67 66.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 64.310000000000002 110.908 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.6 t -93.89 -27.73 16.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 72.439999999999998 110.858 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 9.8 m80 -89.42 58.91 4.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 62.119999999999997 110.91 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 63.219999999999999 110.9 -179.891 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.497 -0.241 . . . . 72.329999999999998 112.497 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.432 HG23 ' HD2' ' A' ' 3' ' ' PRO . 50.7 mm -84.11 133.13 46.02 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.659 0.742 . . . . 72.409999999999997 111.097 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.432 ' HD2' HG23 ' A' ' 2' ' ' ILE . 53.6 Cg_endo -69.8 143.33 50.29 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.643 2.229 . . . . 74.439999999999998 112.368 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.86 -26.64 36.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 72.340000000000003 110.903 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.5 p -62.48 -40.03 95.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 61.329999999999998 110.868 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -59.75 -58.21 9.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.096 -0.502 . . . . 72.319999999999993 110.907 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.669 ' O ' HG23 ' A' ' 11' ' ' VAL . 60.6 mt -51.87 -38.91 23.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 75.209999999999994 111.155 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -59.46 -71.7 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 73.230000000000004 110.891 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -50.04 -31.49 13.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.13 -0.486 . . . . 72.430000000000007 110.862 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.722 ' O ' HD12 ' A' ' 14' ' ' ILE . 0.7 OUTLIER -68.1 -60.79 2.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 74.420000000000002 110.857 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 7' ' ' ILE . 94.2 t -48.31 -36.32 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 71.540000000000006 111.159 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.523 ' O ' HG23 ' A' ' 16' ' ' VAL . 38.3 mmtm -67.63 -55.24 14.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 71.239999999999995 110.905 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.8 ptmt -50.98 -32.71 21.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 70.239999999999995 110.925 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.722 HD12 ' O ' ' A' ' 10' ' ' ARG . 3.4 mt -76.16 -59.88 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 73.530000000000001 111.135 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.514 HD12 HG12 ' A' ' 11' ' ' VAL . 66.3 mt -55.39 -24.6 15.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 65.219999999999999 111.097 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 12' ' ' LYS . 74.6 t -85.74 -40.67 14.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 54.439999999999998 111.141 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -73.07 -18.24 61.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 72.239999999999995 110.898 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -96.81 -51.77 4.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 72.209999999999994 110.897 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.637 HD13 HD23 ' A' ' 36' ' ' LEU . 46.8 mt -78.58 -50.28 11.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 55.140000000000001 110.879 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 109.8 -22.91 22.93 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.787 -0.72 . . . . 74.219999999999999 112.505 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 20.3 m -64.56 -178.93 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.812 0.339 . . . . 71.200000000000003 111.121 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.69 ' O ' HG23 ' A' ' 26' ' ' VAL . 1.8 t70 -90.17 132.16 35.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 74.040000000000006 110.865 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -52.13 -31.02 29.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 51.200000000000003 110.889 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.28 -58.69 4.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 54.009999999999998 111.107 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -53.92 -27.88 33.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 73.030000000000001 110.878 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.69 HG23 ' O ' ' A' ' 22' ' ' ASP . 66.7 t -67.11 89.6 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 71.010000000000005 111.132 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -59.73 131.16 50.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 71.420000000000002 110.905 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -61.72 -42.92 99.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.452 . . . . 73.299999999999997 110.881 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -69.28 -23.96 63.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 65.109999999999999 110.869 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.489 ' HB1' ' CB ' ' A' ' 35' ' ' ASP . . . -71.89 166.58 21.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 75.310000000000002 111.146 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.666 ' OG ' HG22 ' A' ' 68' ' ' THR . 11.5 t -107.45 -175.79 2.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.243 -0.435 . . . . 63.210000000000001 110.88 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.637 ' HB2' HG22 ' A' ' 43' ' ' THR . 13.1 m-85 -80.48 -33.22 36.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 75.439999999999998 110.923 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.522 HG13 ' O ' ' A' ' 38' ' ' ALA . 63.9 t -126.19 -39.48 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 73.109999999999999 111.137 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -52.48 -29.46 24.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 64.209999999999994 110.866 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.489 ' CB ' ' HB1' ' A' ' 30' ' ' ALA . 1.0 OUTLIER -118.14 -66.12 1.11 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 62.43 110.874 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.637 HD23 HD13 ' A' ' 19' ' ' LEU . 8.1 mp -51.79 -37.49 51.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 71.420000000000002 110.906 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 89.99 15.91 56.96 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.699 -0.762 . . . . 33.420000000000002 112.485 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.522 ' O ' HG13 ' A' ' 33' ' ' VAL . . . -63.42 -169.49 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.816 0.341 . . . . 41.329999999999998 111.075 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -109.98 -176.55 3.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 72.129999999999995 110.822 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.6 t -65.59 -45.33 83.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 61.149999999999999 110.827 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.2 tp -51.78 -39.72 59.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.481 . . . . 73.439999999999998 110.896 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.502 ' CG ' ' HB1' ' A' ' 38' ' ' ALA . 2.1 m-20 -55.75 -60.42 3.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.236 -0.438 . . . . 63.200000000000003 110.85 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.637 HG22 ' HB2' ' A' ' 32' ' ' PHE . 82.1 p -51.46 -53.76 33.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 71.239999999999995 111.14 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 77.6 t -54.45 -45.37 70.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 53.149999999999999 111.141 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -53.93 -46.52 71.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 74.030000000000001 110.881 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.474 HD12 ' CE2' ' A' ' 32' ' ' PHE . 44.1 mt -60.51 -49.33 78.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 51.140000000000001 110.907 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.766 HG13 HG21 ' A' ' 58' ' ' ILE . 98.6 t -49.69 -50.25 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 73.209999999999994 111.14 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 67.1 mtp -59.87 -45.67 91.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 75.420000000000002 110.889 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.69 -33.16 63.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 72.420000000000002 111.142 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.544 HD22 HG21 ' A' ' 76' ' ' VAL . 83.4 mt -72.07 -50.3 29.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 71.200000000000003 110.874 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -73.25 -7.4 51.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 62.399999999999999 110.862 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 55.1 tt0 -101.13 -43.52 5.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 63.329999999999998 110.879 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -88.85 -50.99 5.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 74.319999999999993 110.912 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.46 ' CB ' HG23 ' A' ' 56' ' ' THR . 34.4 m-85 -85.67 -6.81 59.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 72.040000000000006 110.875 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 51.14 37.8 19.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 74.319999999999993 110.82 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.46 HG23 ' CB ' ' A' ' 54' ' ' PHE . 43.5 p -86.87 141.24 28.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 60.409999999999997 111.15 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -74.76 85.86 2.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 72.450000000000003 110.903 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.766 HG21 HG13 ' A' ' 47' ' ' VAL . 49.0 mm -110.19 80.23 1.82 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.628 0.728 . . . . 72.120000000000005 111.143 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -167.32 0.22 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.662 2.241 . . . . 64.230000000000004 112.361 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -63.48 -53.15 56.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 45.210000000000001 110.876 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -52.05 -48.1 64.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 73.519999999999996 110.939 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -73.02 -24.37 60.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 72.5 110.893 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.32 -24.35 59.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 74.420000000000002 111.084 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 -82.38 -29.88 30.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 71.549999999999997 110.88 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.6 ptmm? -86.64 -33.38 20.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 75.239999999999995 110.897 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 33.2 mm -89.75 77.53 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 72.319999999999993 111.125 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.3 t -124.32 13.22 8.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 74.439999999999998 111.142 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.666 HG22 ' OG ' ' A' ' 31' ' ' SER . 15.4 p -132.85 153.2 51.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 71.120000000000005 111.17 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 60.5 t -51.41 -60.7 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 74.049999999999997 111.172 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -51.84 -42.81 62.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 42.5 110.93 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.33 -45.4 93.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 40.030000000000001 111.101 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.94 -58.04 5.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 40.219999999999999 111.108 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 3.1 tp -53.73 -32.87 22.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 73.439999999999998 111.143 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -70.06 -50.53 40.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 72.510000000000005 110.859 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -54.3 -61.01 2.58 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.233 -0.439 . . . . 72.340000000000003 110.917 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.544 HG21 HD22 ' A' ' 50' ' ' LEU . 39.3 t -53.91 -51.19 47.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.501 . . . . 73.340000000000003 111.106 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -52.31 -35.73 51.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 55.340000000000003 110.887 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.6 t -80.42 -28.88 37.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 51.25 110.871 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 23.2 m80 -100.85 51.35 0.86 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 64.129999999999995 110.886 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.468 . . . . 74.230000000000004 110.903 -179.926 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.489 -0.245 . . . . 60.509999999999998 112.489 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.423 HG23 ' HD2' ' A' ' 3' ' ' PRO . 5.2 mp -95.8 133.05 26.02 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.639 0.733 . . . . 54.219999999999999 111.141 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.423 ' HD2' HG23 ' A' ' 2' ' ' ILE . 54.0 Cg_endo -69.76 175.98 7.37 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.667 2.245 . . . . 60.340000000000003 112.346 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.496 ' H ' HD12 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -97.99 33.99 2.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 74.340000000000003 110.956 179.922 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.3 p -130.74 -40.46 1.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 63.299999999999997 110.884 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -55.63 -58.51 7.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 71.209999999999994 110.898 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.581 HG23 ' CZ ' ' A' ' 54' ' ' PHE . 6.8 mt -54.15 -42.2 54.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 55.509999999999998 111.077 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -50.8 -54.05 26.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 71.310000000000002 110.844 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.9 tp10 -64.1 -32.39 73.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 73.519999999999996 110.873 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.701 ' O ' HD12 ' A' ' 14' ' ' ILE . 0.0 OUTLIER -66.55 -66.14 0.59 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 74.510000000000005 110.891 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.464 HG13 ' N ' ' A' ' 12' ' ' LYS . 8.6 p -49.58 -43.43 18.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 71.510000000000005 111.103 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.611 ' O ' HG23 ' A' ' 16' ' ' VAL . 1.4 mptm? -62.28 -49.06 77.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 75.310000000000002 110.88 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -50.92 -48.18 60.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 75.099999999999994 110.906 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.701 HD12 ' O ' ' A' ' 10' ' ' ARG . 3.0 mt -61.84 -58.39 7.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 62.399999999999999 111.111 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.444 ' CD1' HG22 ' A' ' 11' ' ' VAL . 49.4 mt -51.35 -30.97 11.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 73.400000000000006 111.144 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 12' ' ' LYS . 81.2 t -80.57 -32.61 13.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 74.430000000000007 111.113 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -80.3 -18.93 47.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 34.439999999999998 110.872 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.3 mm100 -93.27 -58.48 2.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 65.019999999999996 110.943 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.729 HD11 ' OD1' ' A' ' 42' ' ' ASP . 10.6 mp -76.48 -49.03 17.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 74.540000000000006 110.871 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 109.36 -20.69 27.62 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.731 -0.747 . . . . 53.100000000000001 112.458 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 29.3 m -54.87 172.47 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.875 0.369 . . . . 72.209999999999994 111.1 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.627 ' O ' HG23 ' A' ' 26' ' ' VAL . 12.2 t0 -83.1 130.09 35.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 55.399999999999999 110.836 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.59 ' HB3' HG21 ' A' ' 16' ' ' VAL . 1.6 pp20? -51.97 -30.14 23.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 54.520000000000003 110.912 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.75 -58.84 4.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 45.329999999999998 111.094 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -54.77 -27.18 39.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 43.229999999999997 110.873 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 22' ' ' ASP . 65.7 t -69.45 87.75 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 72.430000000000007 111.113 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -69.79 145.83 51.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 62.140000000000001 110.859 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -66.43 -38.31 87.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.463 . . . . 61.229999999999997 110.875 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -90.81 52.62 2.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 71.239999999999995 110.885 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.543 ' HB1' ' CG ' ' A' ' 35' ' ' ASP . . . -142.85 139.12 30.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 63.100000000000001 111.092 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.457 ' CB ' HG22 ' A' ' 68' ' ' THR . 5.3 m -80.11 162.75 24.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 43.340000000000003 110.882 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.684 ' HA ' HD12 ' A' ' 36' ' ' LEU . 16.7 m-85 -72.57 -23.49 60.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 74.25 110.892 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.492 HG22 ' C ' ' A' ' 38' ' ' ALA . 60.3 t -127.15 -49.06 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 75.25 111.162 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -53.36 -28.58 29.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 74.310000000000002 110.917 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.543 ' CG ' ' HB1' ' A' ' 30' ' ' ALA . 26.5 t70 -110.49 -71.26 0.77 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 71.239999999999995 110.876 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.684 HD12 ' HA ' ' A' ' 32' ' ' PHE . 30.6 mt -53.9 -61.6 2.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 72.329999999999998 110.959 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 120.55 21.97 3.19 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.702 -0.761 . . . . 61.420000000000002 112.441 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.529 ' HB1' ' CB ' ' A' ' 42' ' ' ASP . . . -72.59 -174.54 1.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.761 0.315 . . . . 74.310000000000002 111.076 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -114.46 175.3 5.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 74.200000000000003 110.83 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 26.3 t -52.16 -42.76 63.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 60.32 110.832 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.7 tp -56.4 -32.0 64.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 73.239999999999995 110.904 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.729 ' OD1' HD11 ' A' ' 19' ' ' LEU . 5.4 t70 -66.68 -55.62 14.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 72.140000000000001 110.843 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.51 HG22 ' HD2' ' A' ' 32' ' ' PHE . 34.6 p -53.05 -54.67 31.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 60.310000000000002 111.094 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 27.7 m -57.47 -37.28 56.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 62.130000000000003 111.139 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -58.8 -48.38 81.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 72.140000000000001 110.852 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.548 HD12 ' CE2' ' A' ' 32' ' ' PHE . 26.9 mt -62.37 -46.16 89.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.45 . . . . 61.439999999999998 110.958 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.579 HG13 HG21 ' A' ' 58' ' ' ILE . 97.2 t -51.32 -49.29 31.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 74.239999999999995 111.089 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.6 mmt -62.42 -45.58 92.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 73.049999999999997 110.851 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.37 -29.3 63.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 61.229999999999997 111.115 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 77.9 mt -75.59 -55.59 5.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.457 . . . . 73.129999999999995 110.958 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -61.82 -17.32 55.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 72.430000000000007 110.831 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.5 tm-20 -95.28 -57.09 2.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 74.319999999999993 110.903 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -66.86 -55.81 13.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 73.099999999999994 110.855 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.581 ' CZ ' HG23 ' A' ' 7' ' ' ILE . 25.2 m-85 -79.32 -2.23 40.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 72.430000000000007 110.903 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 51.88 39.87 26.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 75.329999999999998 110.884 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.448 HG23 ' HB3' ' A' ' 54' ' ' PHE . 38.6 p -96.22 166.02 11.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 64.239999999999995 111.123 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -103.38 84.97 2.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 74.400000000000006 110.903 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.579 HG21 HG13 ' A' ' 47' ' ' VAL . 50.5 mm -111.4 79.48 2.25 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.61 0.719 . . . . 52.109999999999999 111.144 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -170.35 0.39 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.706 2.271 . . . . 72.299999999999997 112.311 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -54.52 -45.08 73.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 72.109999999999999 110.864 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -56.81 -63.98 1.03 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 75.129999999999995 110.844 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.12 -18.23 56.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 71.439999999999998 110.889 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.38 -31.57 48.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 74.319999999999993 111.085 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -75.09 -31.99 61.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 72.409999999999997 110.88 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.3 ptmt -82.8 -32.08 27.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 73.239999999999995 110.838 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 40.5 mm -92.78 82.62 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 74.209999999999994 111.1 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.0 t -125.18 21.19 8.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 64.420000000000002 111.135 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.457 HG22 ' CB ' ' A' ' 31' ' ' SER . 33.9 p -147.68 153.79 39.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 61.109999999999999 111.184 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 97.7 t -51.68 -60.56 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.439 . . . . 73.430000000000007 111.15 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -51.22 -40.36 58.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 75.310000000000002 110.905 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.1 -48.08 77.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 55.340000000000003 111.096 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.88 -56.48 15.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 72.420000000000002 111.077 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.441 HD13 HG11 ' A' ' 11' ' ' VAL . 5.4 tp -54.58 -32.86 25.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 75.409999999999997 111.127 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -69.19 -45.97 68.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.446 . . . . 75.140000000000001 110.795 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.42 ' CE1' HD11 ' A' ' 58' ' ' ILE . 3.0 t80 -59.6 -61.6 2.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 63.119999999999997 110.935 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 60.8 t -52.58 -50.26 41.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 61.119999999999997 111.143 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -58.08 -32.98 68.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 75.439999999999998 110.916 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 29.0 t -77.75 -32.44 52.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 63.340000000000003 110.89 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 13.0 m80 -99.79 33.58 2.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 73.439999999999998 110.875 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 70.040000000000006 110.972 -179.976 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.5 -0.24 . . . . 65.420000000000002 112.5 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.3 pt -118.67 158.56 47.03 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.613 0.72 . . . . 73.439999999999998 111.178 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 5.67 1.58 Allowed 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.688 2.259 . . . . 71.329999999999998 112.334 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.9 mt 62.79 20.62 12.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.235 -0.438 . . . . 74.409999999999997 110.959 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 p -115.15 -23.16 9.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 63.350000000000001 110.867 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -68.47 -56.75 7.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.479 . . . . 72.219999999999999 110.908 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.659 ' O ' HG23 ' A' ' 11' ' ' VAL . 97.1 mt -51.57 -52.08 22.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 74.329999999999998 111.167 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -50.91 -53.28 34.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 62.329999999999998 110.906 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -58.83 -54.59 45.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 33.439999999999998 110.908 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.695 ' O ' HD12 ' A' ' 14' ' ' ILE . 3.8 mtp85 -51.52 -53.84 33.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 63.109999999999999 110.855 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.744 ' O ' HD12 ' A' ' 15' ' ' ILE . 95.1 t -48.65 -58.63 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 73.340000000000003 111.114 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.672 ' O ' HG23 ' A' ' 16' ' ' VAL . 39.0 mmtm -51.13 -47.21 62.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 61.109999999999999 110.889 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.7 ttpt -51.89 -56.14 15.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 70.430000000000007 110.889 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.695 HD12 ' O ' ' A' ' 10' ' ' ARG . 3.0 mt -50.68 -56.58 4.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.454 . . . . 74.329999999999998 111.108 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.744 HD12 ' O ' ' A' ' 11' ' ' VAL . 3.1 mt -54.82 -28.26 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 64.540000000000006 111.123 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.672 HG23 ' O ' ' A' ' 12' ' ' LYS . 79.4 t -82.16 -24.93 9.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 64.230000000000004 111.136 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -91.53 -15.83 28.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 73.200000000000003 110.883 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -96.26 -53.54 3.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 62.32 110.922 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -83.87 -36.98 23.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.236 -0.438 . . . . 74.129999999999995 110.886 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.09 -18.92 55.81 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.742 . . . . 72.310000000000002 112.496 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 20.4 m -58.8 178.65 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.837 0.351 . . . . 63.520000000000003 111.122 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.54 ' O ' HG23 ' A' ' 26' ' ' VAL . 20.0 m-20 -83.41 139.34 33.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 73.310000000000002 110.909 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.542 ' HB3' HG21 ' A' ' 16' ' ' VAL . 10.2 pt-20 -63.37 -24.84 68.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 71.340000000000003 110.878 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.92 -63.24 1.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 53.43 111.134 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -52.08 -29.89 23.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 71.109999999999999 110.902 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 22' ' ' ASP . 90.4 t -69.94 101.13 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 65.140000000000001 111.159 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 52.6 mttt -98.59 173.27 7.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 61.439999999999998 110.904 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -95.33 14.0 23.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 52.439999999999998 110.891 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -123.16 23.75 9.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 74.239999999999995 110.897 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -124.52 -175.02 3.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 65.340000000000003 111.124 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.758 ' O ' HD23 ' A' ' 36' ' ' LEU . 15.4 m -128.59 -169.8 2.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 75.340000000000003 110.846 -179.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.62 ' HD2' HG22 ' A' ' 43' ' ' THR . 6.6 m-85 -100.65 -40.92 7.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 73.430000000000007 110.915 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.678 HG23 ' O ' ' A' ' 38' ' ' ALA . 7.6 p -122.93 -34.74 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 71.140000000000001 111.126 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -60.52 -26.15 66.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 62.549999999999997 110.876 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -123.11 -65.77 1.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 64.129999999999995 110.898 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.758 HD23 ' O ' ' A' ' 31' ' ' SER . 3.7 mm? -51.83 -36.84 49.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 74.519999999999996 110.965 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.32 18.56 57.07 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.726 -0.749 . . . . 65.140000000000001 112.462 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.678 ' O ' HG23 ' A' ' 33' ' ' VAL . . . -63.95 -169.55 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.807 0.337 . . . . 55.299999999999997 111.076 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -108.42 -176.96 3.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 72.430000000000007 110.888 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.6 t -66.44 -38.03 86.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 75.329999999999998 110.888 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.9 tp -56.65 -35.2 68.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 50.219999999999999 110.953 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -61.99 -59.63 4.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 45.420000000000002 110.907 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.62 HG22 ' HD2' ' A' ' 32' ' ' PHE . 19.0 p -51.45 -53.06 40.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 63.340000000000003 111.153 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 57.7 t -57.67 -35.62 51.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 70.319999999999993 111.139 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -61.27 -49.87 75.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 75.25 110.93 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.557 HD12 ' CE2' ' A' ' 32' ' ' PHE . 23.0 mt -62.99 -46.3 88.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.096 -0.502 . . . . 73.030000000000001 110.905 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.789 HG13 HG21 ' A' ' 58' ' ' ILE . 91.2 t -51.2 -50.88 24.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 71.400000000000006 111.089 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 16.1 mtp -60.42 -49.37 77.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 73.530000000000001 110.878 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.43 -29.17 48.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 33.43 111.049 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.632 HD12 ' HA ' ' A' ' 47' ' ' VAL . 14.8 mt -75.66 -49.31 18.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 74.439999999999998 110.942 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -73.81 -7.02 50.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 73.510000000000005 110.86 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -104.6 -42.26 5.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 65.219999999999999 110.867 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -87.13 -45.72 10.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 72.099999999999994 110.875 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -94.52 -1.58 53.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 70.099999999999994 110.851 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 50.95 30.78 5.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 62.100000000000001 110.877 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.75 HG21 HG12 ' A' ' 76' ' ' VAL . 5.0 t -91.36 120.03 31.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 73.120000000000005 111.142 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -59.4 134.94 57.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.43 . . . . 75.200000000000003 110.879 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.789 HG21 HG13 ' A' ' 47' ' ' VAL . 32.6 mm -144.49 81.99 10.79 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.577 0.703 . . . . 63.210000000000001 111.15 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -165.84 0.17 Allowed 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.627 2.218 . . . . 71.540000000000006 112.376 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -69.72 -52.15 28.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 75.319999999999993 110.903 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -54.39 -32.4 57.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 75.230000000000004 110.914 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -89.59 -24.93 21.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 73.420000000000002 110.941 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.18 -25.58 61.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 73.099999999999994 111.139 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -80.25 -34.51 37.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 72.0 110.864 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.7 pttp -81.3 -32.84 32.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 73.109999999999999 110.895 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 48.6 mm -89.83 95.05 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 74.430000000000007 111.192 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 80.7 p -141.17 20.45 2.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 65.310000000000002 111.145 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.446 HG22 ' HB3' ' A' ' 31' ' ' SER . 17.7 p -144.84 167.8 21.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.182 -0.463 . . . . 74.439999999999998 111.118 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 67.8 t -61.45 -60.5 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 71.299999999999997 111.162 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 8.2 tp60 -50.7 -45.04 58.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 63.229999999999997 110.893 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.61 -42.9 97.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 73.310000000000002 111.107 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.02 -59.61 2.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 65.319999999999993 111.153 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.531 HD12 HG21 ' A' ' 11' ' ' VAL . 5.4 tp -52.36 -34.64 18.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 64.299999999999997 111.114 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -69.95 -46.01 66.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.45 . . . . 74.329999999999998 110.848 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.463 ' CZ ' HD13 ' A' ' 58' ' ' ILE . 4.8 t80 -56.74 -59.02 5.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 75.010000000000005 110.926 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.75 HG12 HG21 ' A' ' 56' ' ' THR . 21.3 m -58.96 -39.1 77.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 54.32 111.121 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -58.67 -38.82 79.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 71.040000000000006 110.893 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 65.0 p -81.39 -26.38 35.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 62.539999999999999 110.875 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 17.4 m80 -97.83 60.94 1.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 74.420000000000002 110.826 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 71.310000000000002 110.927 -179.937 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.488 -0.245 . . . . 70.120000000000005 112.488 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.427 HG23 ' HD2' ' A' ' 3' ' ' PRO . 62.5 mt -105.14 133.09 20.33 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.629 0.728 . . . . 71.140000000000001 111.12 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.427 ' HD2' HG23 ' A' ' 2' ' ' ILE . 53.9 Cg_endo -69.8 174.88 8.89 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.687 2.258 . . . . 65.209999999999994 112.346 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.4 mt -95.77 26.05 4.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.439 . . . . 53.25 110.914 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.4 t -126.46 -38.27 2.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 64.230000000000004 110.85 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -63.02 -50.78 69.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 72.120000000000005 110.882 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.673 ' O ' HG23 ' A' ' 11' ' ' VAL . 55.7 mt -51.33 -52.54 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 73.5 111.135 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -50.56 -54.75 20.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 55.240000000000002 110.907 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -58.76 -50.35 74.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 63.049999999999997 110.876 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -54.96 -62.92 1.34 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 65.239999999999995 110.898 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.706 ' O ' HD12 ' A' ' 15' ' ' ILE . 45.3 t -45.71 -55.14 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 65.340000000000003 111.157 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.573 ' O ' HG23 ' A' ' 16' ' ' VAL . 3.4 mmtp -50.2 -39.14 43.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 73.140000000000001 110.85 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.5 ttmt -66.36 -36.2 82.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 71.430000000000007 110.938 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 9.6 mm -63.11 -50.19 80.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 44.5 111.118 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.706 HD12 ' O ' ' A' ' 11' ' ' VAL . 3.6 mp -64.21 -37.62 80.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 74.540000000000006 111.117 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 12' ' ' LYS . 98.8 t -74.69 -23.63 17.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 51.32 111.132 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -89.29 -25.62 21.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 74.519999999999996 110.887 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -91.33 -65.1 1.04 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 73.019999999999996 110.913 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 58.2 mt -61.02 -49.17 78.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.464 . . . . 54.210000000000001 110.897 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.58 19.26 20.89 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.732 -0.747 . . . . 62.100000000000001 112.485 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.497 ' O ' HG13 ' A' ' 16' ' ' VAL . 26.8 m -107.31 -178.7 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.835 0.35 . . . . 63.420000000000002 111.104 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -88.7 141.19 28.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 64.239999999999995 110.844 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -52.17 -31.91 33.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 72.109999999999999 110.902 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.59 -30.09 19.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 52.0 111.098 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -68.48 -41.32 80.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 74.010000000000005 110.912 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.402 HG13 HG11 ' A' ' 69' ' ' VAL . 57.5 t -65.55 100.7 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 63.299999999999997 111.141 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.6 mttp -92.93 -0.14 57.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 71.230000000000004 110.894 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 20.8 m120 59.25 19.53 7.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 72.109999999999999 110.838 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -129.92 7.78 5.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 74.200000000000003 110.881 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.724 ' HB1' ' CB ' ' A' ' 35' ' ' ASP . . . -127.41 -177.17 3.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 62.43 111.054 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.58 ' HB3' HG22 ' A' ' 68' ' ' THR . 2.3 m -112.75 -177.56 3.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 71.019999999999996 110.837 -179.757 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.564 ' HB2' HG22 ' A' ' 43' ' ' THR . 11.4 m-85 -84.14 -33.64 24.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 73.439999999999998 110.861 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 38' ' ' ALA . 9.1 p -121.63 -33.83 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 62.539999999999999 111.165 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -63.39 -22.98 67.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 72.140000000000001 110.877 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.724 ' CB ' ' HB1' ' A' ' 30' ' ' ALA . 9.9 t70 -120.12 -74.01 0.63 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 74.409999999999997 110.894 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 44.1 mt -51.54 -33.89 34.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 63.32 110.875 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 85.52 21.09 55.16 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.723 -0.751 . . . . 73.439999999999998 112.496 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.693 ' O ' HG23 ' A' ' 33' ' ' VAL . . . -61.72 -169.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.823 0.344 . . . . 51.210000000000001 111.085 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -113.48 -179.23 3.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 72.200000000000003 110.876 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.434 ' O ' HG23 ' A' ' 44' ' ' VAL . 40.7 m -63.42 -38.08 89.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 64.019999999999996 110.862 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.0 tp -57.99 -34.92 70.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 53.530000000000001 110.941 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -66.71 -59.31 3.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 60.539999999999999 110.895 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.564 HG22 ' HB2' ' A' ' 32' ' ' PHE . 41.0 p -51.71 -52.87 45.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 72.420000000000002 111.15 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 40' ' ' SER . 58.1 t -58.37 -38.96 72.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 65.439999999999998 111.151 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -58.01 -46.47 85.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 73.120000000000005 110.892 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.557 HD12 ' CE2' ' A' ' 32' ' ' PHE . 30.6 mt -62.69 -49.41 75.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 75.140000000000001 110.923 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.69 HG13 HG21 ' A' ' 58' ' ' ILE . 98.0 t -51.24 -50.49 26.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 74.340000000000003 111.143 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.09 -41.07 95.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 74.140000000000001 110.903 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.63 -33.17 71.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 74.349999999999994 111.103 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.812 HD22 HG21 ' A' ' 76' ' ' VAL . 75.9 mt -72.84 -56.33 5.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 60.439999999999998 110.93 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.42 -12.98 57.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 73.109999999999999 110.918 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -94.37 -52.98 4.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 74.310000000000002 110.926 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.56 -57.25 3.96 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.17 -0.468 . . . . 71.140000000000001 110.905 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.575 ' HB3' HG23 ' A' ' 56' ' ' THR . 27.2 m-85 -75.18 -5.94 47.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 74.209999999999994 110.863 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 52.09 37.51 21.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 75.430000000000007 110.82 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.575 HG23 ' HB3' ' A' ' 54' ' ' PHE . 50.9 p -87.93 165.27 15.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 71.019999999999996 111.152 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -98.44 85.17 3.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 75.540000000000006 110.909 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.69 HG21 HG13 ' A' ' 47' ' ' VAL . 51.4 mm -111.62 77.8 1.89 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.6 0.714 . . . . 74.120000000000005 111.146 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -170.15 0.37 Allowed 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.732 2.288 . . . . 71.230000000000004 112.343 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -53.74 -48.98 69.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 71.129999999999995 110.883 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 82.0 mt-10 -54.42 -66.84 0.33 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 74.019999999999996 110.904 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -55.28 -25.65 35.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 74.299999999999997 110.85 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.31 -28.48 61.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 22.440000000000001 111.102 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -79.01 -33.98 44.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 74.329999999999998 110.892 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -81.06 -32.65 33.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 75.540000000000006 110.908 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.4 HD11 ' HD2' ' A' ' 75' ' ' TYR . 30.6 mm -90.06 85.23 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 54.539999999999999 111.167 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.0 t -128.07 19.75 6.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 55.200000000000003 111.175 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.58 HG22 ' HB3' ' A' ' 31' ' ' SER . 16.9 p -139.74 175.87 9.21 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.185 -0.462 . . . . 73.450000000000003 111.129 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.402 HG11 HG13 ' A' ' 26' ' ' VAL . 16.4 t -73.19 -63.33 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 62.409999999999997 111.126 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.422 ' HA ' HG22 ' A' ' 73' ' ' ILE . 6.3 tp-100 -50.81 -39.19 52.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 60.530000000000001 110.863 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.02 -43.83 94.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 54.229999999999997 111.104 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.91 -57.23 5.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 73.150000000000006 111.107 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.666 HD12 HG21 ' A' ' 11' ' ' VAL . 6.5 tp -53.91 -33.89 24.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 75.409999999999997 111.11 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -69.52 -50.22 47.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 63.350000000000001 110.877 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.4 ' CE1' HD11 ' A' ' 58' ' ' ILE . 2.4 t80 -54.11 -62.42 1.67 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 73.239999999999995 110.877 -179.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.812 HG21 HD22 ' A' ' 50' ' ' LEU . 85.2 t -52.69 -50.57 40.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.49 . . . . 74.099999999999994 111.179 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.652 ' HA ' HD13 ' A' ' 7' ' ' ILE . 23.9 t-20 -58.62 -26.5 63.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 71.239999999999995 110.855 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.9 t -83.88 -35.62 23.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 61.009999999999998 110.87 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 17.1 m80 -96.95 54.59 1.27 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.082 -0.508 . . . . 63.350000000000001 110.856 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 71.120000000000005 110.949 -179.956 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.484 -0.247 . . . . 41.539999999999999 112.484 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.441 HG23 ' HD2' ' A' ' 3' ' ' PRO . 66.0 mt -104.44 133.11 20.37 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.68 0.752 . . . . 75.140000000000001 111.103 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.441 ' HD2' HG23 ' A' ' 2' ' ' ILE . 53.3 Cg_endo -69.84 175.25 8.42 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.693 2.262 . . . . 54.229999999999997 112.337 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.58 HD22 HD21 ' A' ' 77' ' ' ASN . 0.9 OUTLIER -95.89 29.31 2.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.232 -0.44 . . . . 74.200000000000003 110.873 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 m -128.1 -38.97 1.77 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 65.329999999999998 110.826 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -61.4 -55.04 35.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 64.329999999999998 110.873 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.633 ' O ' HG23 ' A' ' 11' ' ' VAL . 31.5 mt -51.59 -43.37 32.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 71.319999999999993 111.175 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -52.13 -58.46 6.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.463 . . . . 74.5 110.926 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 23.2 tp10 -60.03 -41.75 92.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 74.310000000000002 110.881 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.9 mmp_? -59.35 -65.89 0.6 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 65.299999999999997 110.876 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.731 ' O ' HD12 ' A' ' 15' ' ' ILE . 39.9 t -45.79 -47.5 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 55.030000000000001 111.139 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.68 ' O ' HG23 ' A' ' 16' ' ' VAL . 2.1 mptp? -51.67 -52.77 45.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 73.530000000000001 110.886 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.3 ttmm -54.04 -38.64 65.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.424 . . . . 72.329999999999998 110.901 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 11.8 mm -59.62 -64.32 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 74.329999999999998 111.127 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.731 HD12 ' O ' ' A' ' 11' ' ' VAL . 3.3 mp -51.32 -28.82 8.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 74.310000000000002 111.104 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.68 HG23 ' O ' ' A' ' 12' ' ' LYS . 78.4 t -72.78 -54.53 15.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 51.109999999999999 111.133 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -60.29 -24.78 65.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 72.340000000000003 110.88 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.0 mm100 -82.84 -48.42 10.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 70.310000000000002 110.954 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.598 HD21 ' HB3' ' A' ' 36' ' ' LEU . 8.9 mp -89.17 -75.46 0.44 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 73.409999999999997 110.931 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 137.4 -17.04 3.56 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.738 -0.744 . . . . 52.43 112.489 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 22.7 m -60.11 -179.15 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.835 0.35 . . . . 64.430000000000007 111.125 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.55 127.76 34.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 71.329999999999998 110.863 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.41 -29.92 26.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 62.210000000000001 110.888 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.74 -45.9 84.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 64.030000000000001 111.111 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -60.85 -29.98 69.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 74.430000000000007 110.892 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 24.5 t -66.84 118.4 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 62.119999999999997 111.13 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.9 mtmt -104.25 165.97 10.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 75.140000000000001 110.887 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -77.04 -26.86 54.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 73.400000000000006 110.871 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -95.75 25.53 4.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 74.120000000000005 110.856 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.63 156.56 16.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 24.440000000000001 111.098 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.541 ' HA ' HG22 ' A' ' 68' ' ' THR . 8.3 t -91.29 -169.61 2.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 53.32 110.864 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.605 ' HD2' HG22 ' A' ' 43' ' ' THR . 3.3 m-30 -108.0 -22.59 12.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 74.040000000000006 110.867 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 19.1 m -135.13 -39.73 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.472 . . . . 51.119999999999997 111.128 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -64.58 -27.14 68.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 62.229999999999997 110.902 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -109.55 -44.2 3.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 62.43 110.862 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.598 ' HB3' HD21 ' A' ' 19' ' ' LEU . 14.7 mt -77.0 -4.37 43.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 72.129999999999995 110.945 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 61.75 15.8 49.24 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.684 -0.77 . . . . 71.040000000000006 112.506 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -80.98 -170.69 2.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.821 0.343 . . . . 74.430000000000007 111.077 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -135.13 -77.78 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 74.439999999999998 110.849 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.621 ' O ' HG23 ' A' ' 44' ' ' VAL . 2.8 m -133.1 -40.76 0.91 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 73.299999999999997 110.88 -179.753 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.587 HD12 ' N ' ' A' ' 42' ' ' ASP . 3.2 pp -51.64 -31.15 24.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 65.120000000000005 110.931 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.587 ' N ' HD12 ' A' ' 41' ' ' LEU . 4.3 t70 -69.16 -65.52 0.7 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 71.200000000000003 110.886 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.605 HG22 ' HD2' ' A' ' 32' ' ' PHE . 42.4 p -49.29 -40.94 36.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 71.340000000000003 111.109 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 40' ' ' SER . 79.3 t -61.99 -50.06 81.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 52.310000000000002 111.102 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.05 -38.28 90.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 74.230000000000004 110.855 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.419 HD22 HG13 ' A' ' 15' ' ' ILE . 57.6 mt -67.64 -59.23 3.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.184 -0.462 . . . . 52.420000000000002 110.931 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.607 HG13 ' CG2' ' A' ' 58' ' ' ILE . 89.3 t -50.42 -43.55 22.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 54.130000000000003 111.142 179.783 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 7.9 mtt -70.57 -41.37 72.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 75.310000000000002 110.868 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.54 -25.57 66.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 43.32 111.107 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 84.3 mt -83.9 -55.69 4.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 64.109999999999999 110.915 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -59.41 -20.49 55.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 73.099999999999994 110.888 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 -92.5 -56.83 2.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 74.329999999999998 110.917 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 25.8 tp10 -66.55 -61.62 1.89 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 74.439999999999998 110.951 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.494 ' HB3' HG23 ' A' ' 56' ' ' THR . 17.3 m-85 -70.5 -10.92 60.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 61.229999999999997 110.885 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 59.46 41.2 19.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 60.310000000000002 110.836 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.494 HG23 ' HB3' ' A' ' 54' ' ' PHE . 76.0 p -99.17 166.91 11.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 75.409999999999997 111.087 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -101.63 85.57 2.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 64.209999999999994 110.879 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.607 ' CG2' HG13 ' A' ' 47' ' ' VAL . 48.1 mm -111.33 79.07 2.04 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.616 0.722 . . . . 61.200000000000003 111.146 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -170.91 0.42 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.71 2.274 . . . . 71.439999999999998 112.327 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -54.57 -47.12 73.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 72.099999999999994 110.851 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -55.38 -63.91 1.01 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 74.010000000000005 110.87 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -60.59 -19.12 56.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 73.349999999999994 110.874 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.28 -29.12 47.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 64.319999999999993 111.101 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -78.76 -34.74 45.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 65.349999999999994 110.886 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.1 pttt -76.39 -36.03 58.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 74.319999999999993 110.904 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 38.6 mm -84.18 82.83 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 73.510000000000005 111.145 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 44.0 p -124.49 21.97 8.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 64.349999999999994 111.127 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.541 HG22 ' HA ' ' A' ' 31' ' ' SER . 40.1 p -152.15 151.8 31.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 75.030000000000001 111.085 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 42.3 t -51.26 -58.25 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 75.040000000000006 111.119 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.26 -44.94 61.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 75.109999999999999 110.884 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.11 -47.59 85.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 63.119999999999997 111.149 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.76 -59.33 4.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 74.200000000000003 111.119 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 2.7 tp -53.12 -32.37 18.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 74.319999999999993 111.078 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -70.48 -41.47 72.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 64.5 110.869 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.402 ' CE1' HD11 ' A' ' 58' ' ' ILE . 4.6 t80 -61.38 -57.73 11.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 71.219999999999999 110.927 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 58.2 t -59.59 -37.87 72.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 71.430000000000007 111.1 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.58 HD21 HD22 ' A' ' 4' ' ' LEU . 20.9 t-20 -75.05 -18.53 60.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 63.450000000000003 110.867 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 46.9 t -92.81 -22.68 19.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 73.120000000000005 110.866 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 5.5 m80 -97.23 -39.05 9.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 75.310000000000002 110.86 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 64.200000000000003 110.91 -179.934 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.469 -0.253 . . . . 72.409999999999997 112.469 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.626 HD13 ' NE2' ' A' ' 80' ' ' GLN . 2.3 mp -93.18 131.84 32.04 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.628 0.728 . . . . 64.409999999999997 111.109 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 5.05 1.83 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.69 2.26 . . . . 75.430000000000007 112.341 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.9 mt 62.87 16.52 9.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 75.420000000000002 110.947 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 m -115.84 -22.47 9.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 62.240000000000002 110.885 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -71.53 -55.84 7.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 75.140000000000001 110.921 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.453 ' O ' HG23 ' A' ' 11' ' ' VAL . 24.4 mt -52.39 -44.9 44.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 64.099999999999994 111.117 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -50.85 -63.91 0.98 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 70.140000000000001 110.888 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -56.64 -37.03 70.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 73.219999999999999 110.938 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.759 ' O ' HD12 ' A' ' 14' ' ' ILE . 9.6 tpp180 -60.02 -67.14 0.42 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 71.420000000000002 110.827 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.971 HG21 HD12 ' A' ' 73' ' ' ILE . 39.8 t -48.85 -55.31 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 74.040000000000006 111.129 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.596 ' O ' HG23 ' A' ' 16' ' ' VAL . 37.7 mmtm -50.59 -39.49 49.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 61.310000000000002 110.923 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.3 ttpt -61.03 -50.45 73.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 73.209999999999994 110.9 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.759 HD12 ' O ' ' A' ' 10' ' ' ARG . 2.8 mp -61.05 -46.23 97.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 70.439999999999998 111.154 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.532 ' CD1' HG12 ' A' ' 11' ' ' VAL . 50.1 mt -60.21 -32.84 51.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 74.140000000000001 111.164 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.678 HG13 ' O ' ' A' ' 21' ' ' VAL . 92.6 t -84.09 -24.42 7.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 75.329999999999998 111.112 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -87.5 -17.39 32.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 70.430000000000007 110.873 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -98.29 -47.49 5.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 64.209999999999994 110.919 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.738 HD21 ' CG ' ' A' ' 42' ' ' ASP . 58.1 mt -87.97 -43.24 11.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 73.150000000000006 110.952 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.3 -17.67 43.38 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.743 -0.742 . . . . 74.439999999999998 112.469 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.678 ' O ' HG13 ' A' ' 16' ' ' VAL . 18.4 m -60.62 -173.33 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.817 0.341 . . . . 73.230000000000004 111.139 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -98.62 144.08 28.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 64.420000000000002 110.847 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -70.27 -10.84 60.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 70.25 110.894 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.16 -37.41 18.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 55.32 111.116 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -76.65 -36.08 57.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 71.209999999999994 110.964 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 9.7 p -62.98 136.51 25.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.093 -0.503 . . . . 71.209999999999994 111.145 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 68.6 mmtt -103.98 -174.82 2.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 72.019999999999996 110.908 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.414 ' HA ' HG11 ' A' ' 69' ' ' VAL . 7.8 m120 -109.68 -43.55 4.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 75.430000000000007 110.883 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -66.79 -34.1 77.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 74.329999999999998 110.91 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.679 ' HB1' ' HB2' ' A' ' 35' ' ' ASP . . . -65.3 162.0 18.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 51.219999999999999 111.092 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.626 ' HB3' HG22 ' A' ' 68' ' ' THR . 1.1 m -104.82 -179.34 3.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 73.230000000000004 110.872 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.574 ' HB2' HG22 ' A' ' 43' ' ' THR . 11.9 m-85 -76.91 -25.68 53.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 61.439999999999998 110.902 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.564 HG12 ' O ' ' A' ' 38' ' ' ALA . 15.7 m -127.71 -39.35 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 73.530000000000001 111.159 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -51.8 -34.38 39.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 64.349999999999994 110.868 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.679 ' HB2' ' HB1' ' A' ' 30' ' ' ALA . 1.5 m-20 -117.79 -60.58 1.79 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 64.540000000000006 110.829 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.591 HD23 ' CD1' ' A' ' 19' ' ' LEU . 7.3 mp -54.91 -26.57 36.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 64.439999999999998 110.891 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 70.07 22.52 77.27 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.75 -0.738 . . . . 71.120000000000005 112.499 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.564 ' O ' HG12 ' A' ' 33' ' ' VAL . . . -70.55 -170.02 0.37 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.789 0.328 . . . . 33.399999999999999 111.116 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -113.47 170.18 8.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 72.340000000000003 110.834 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.563 ' O ' HG23 ' A' ' 44' ' ' VAL . 1.0 OUTLIER -52.98 -33.71 52.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 70.239999999999995 110.866 -179.763 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.3 tp -59.28 -40.13 85.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 63.420000000000002 110.936 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.738 ' CG ' HD21 ' A' ' 19' ' ' LEU . 4.5 t0 -60.65 -56.8 16.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 74.040000000000006 110.869 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.603 ' O ' HG23 ' A' ' 47' ' ' VAL . 62.6 p -51.17 -53.31 35.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 51.439999999999998 111.155 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 40' ' ' SER . 48.1 t -55.48 -38.44 49.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.229 -0.441 . . . . 71.129999999999995 111.114 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -60.85 -46.26 91.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 71.25 110.898 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 32.1 mt -65.71 -47.74 74.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 72.239999999999995 110.916 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.732 HG13 HG21 ' A' ' 58' ' ' ILE . 61.2 t -51.07 -48.39 30.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 63.32 111.102 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.03 -50.81 69.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 61.149999999999999 110.892 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.95 -25.9 32.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 51.32 111.1 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.735 HD22 HG11 ' A' ' 76' ' ' VAL . 65.2 mt -78.07 -52.59 8.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 73.329999999999998 110.904 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.28 -12.97 61.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 73.230000000000004 110.845 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -99.05 -48.62 4.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 62.020000000000003 110.893 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -77.56 -54.7 6.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 73.439999999999998 110.865 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -80.82 -4.95 56.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 74.439999999999998 110.939 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 50.86 41.56 26.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 33.210000000000001 110.877 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.7 t -101.74 129.13 47.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 75.209999999999994 111.167 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -62.66 115.51 4.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 73.109999999999999 110.861 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.732 HG21 HG13 ' A' ' 47' ' ' VAL . 38.7 mm -134.49 78.19 57.39 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.612 0.72 . . . . 71.420000000000002 111.151 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -176.3 1.46 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.684 2.256 . . . . 51.299999999999997 112.334 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -52.72 -49.1 66.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 75.340000000000003 110.884 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -53.48 -68.39 0.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 72.209999999999994 110.863 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -54.83 -26.17 33.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 64.310000000000002 110.844 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.23 -29.04 63.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 72.230000000000004 111.102 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -77.68 -34.05 53.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 64.209999999999994 110.894 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.9 ptmt -82.83 -32.78 27.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 74.019999999999996 110.883 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 38.7 mm -89.85 85.82 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 42.530000000000001 111.173 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 39.8 p -129.71 23.21 5.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 55.530000000000001 111.169 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.626 HG22 ' HB3' ' A' ' 31' ' ' SER . 19.3 p -141.6 171.69 13.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.186 -0.461 . . . . 72.310000000000002 111.126 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.477 HG22 ' HE1' ' A' ' 32' ' ' PHE . 92.3 t -70.26 -62.44 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.259 -0.428 . . . . 73.200000000000003 111.155 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -50.08 -39.01 41.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 73.430000000000007 110.899 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.95 -47.97 72.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 73.230000000000004 111.122 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.52 -55.03 27.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 73.140000000000001 111.053 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.971 HD12 HG21 ' A' ' 11' ' ' VAL . 1.2 tp -55.6 -35.85 40.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 63.119999999999997 111.136 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -69.05 -37.68 78.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 50.219999999999999 110.865 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -64.96 -62.93 1.26 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 64.25 110.946 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.735 HG11 HD22 ' A' ' 50' ' ' LEU . 17.0 m -54.34 -41.71 54.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 70.340000000000003 111.08 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -68.5 -28.62 67.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 52.530000000000001 110.911 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.1 t -81.08 -32.86 33.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 55.140000000000001 110.857 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 8.3 m80 -92.77 60.1 3.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 75.109999999999999 110.832 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.626 ' NE2' HD13 ' A' ' 2' ' ' ILE . 3.8 pt20 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 70.450000000000003 110.9 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.463 -0.255 . . . . 70.200000000000003 112.463 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.429 HG23 ' HD2' ' A' ' 3' ' ' PRO . 4.5 mp -77.01 133.08 69.7 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.667 0.746 . . . . 64.299999999999997 111.147 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.429 ' HD2' HG23 ' A' ' 2' ' ' ILE . 53.6 Cg_endo -69.75 141.28 44.83 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.717 2.278 . . . . 74.140000000000001 112.348 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -56.59 -24.97 51.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 43.530000000000001 110.898 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.3 p -65.31 -43.56 90.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 65.010000000000005 110.837 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -57.74 -57.95 10.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 63.310000000000002 110.9 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.63 ' O ' HG23 ' A' ' 11' ' ' VAL . 44.1 mt -57.09 -36.77 52.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 74.109999999999999 111.125 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -55.92 -54.95 38.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 75.430000000000007 110.843 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 49.9 tt0 -62.98 -36.21 82.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 73.510000000000005 110.862 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.682 ' O ' HD12 ' A' ' 14' ' ' ILE . 6.6 mtp85 -65.08 -63.52 1.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 63.020000000000003 110.895 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.744 ' O ' HD12 ' A' ' 15' ' ' ILE . 38.3 t -49.87 -57.55 2.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 73.140000000000001 111.138 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.619 ' O ' HG23 ' A' ' 16' ' ' VAL . 20.2 mmtp -50.55 -47.92 57.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 72.409999999999997 110.9 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.8 ttpt -50.17 -55.39 15.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 75.409999999999997 110.905 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.682 HD12 ' O ' ' A' ' 10' ' ' ARG . 2.9 mp -52.73 -59.19 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 71.549999999999997 111.084 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.744 HD12 ' O ' ' A' ' 11' ' ' VAL . 2.9 mp -52.89 -36.03 22.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 62.409999999999997 111.169 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.686 HG21 ' HB3' ' A' ' 23' ' ' GLU . 72.2 t -74.1 -25.08 19.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 54.030000000000001 111.14 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.9 mm-40 -87.55 -25.03 23.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 72.239999999999995 110.915 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -87.39 -65.35 1.02 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 75.310000000000002 110.946 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -55.77 -47.48 76.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 73.030000000000001 110.875 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 107.28 -16.87 37.98 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.769 -0.729 . . . . 55.119999999999997 112.485 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.429 ' O ' HG13 ' A' ' 16' ' ' VAL . 26.0 m -66.61 173.34 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.863 0.364 . . . . 61.32 111.094 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.66 139.69 31.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 63.020000000000003 110.89 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.686 ' HB3' HG21 ' A' ' 16' ' ' VAL . 2.6 pp20? -61.24 -18.17 57.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 75.230000000000004 110.9 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.2 -25.44 31.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 72.019999999999996 111.077 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -98.06 34.32 1.96 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 52.520000000000003 110.922 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.654 HG12 ' O ' ' A' ' 23' ' ' GLU . 7.8 p -134.39 150.55 30.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 51.340000000000003 111.15 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.0 mttm -133.35 169.48 16.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 63.229999999999997 110.922 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -83.15 -24.98 32.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.268 -0.423 . . . . 72.219999999999999 110.896 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -81.27 -8.48 59.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 74.209999999999994 110.898 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.24 -169.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 73.099999999999994 111.112 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.793 ' HA ' HG22 ' A' ' 68' ' ' THR . 19.0 m -132.19 -176.45 4.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 61.399999999999999 110.826 -179.775 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.764 ' CE2' HD12 ' A' ' 46' ' ' LEU . 3.1 m-30 -100.12 -12.68 19.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 74.219999999999999 110.881 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 38' ' ' ALA . 4.0 p -157.72 -45.0 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 62.530000000000001 111.102 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.43 ' N ' HG13 ' A' ' 33' ' ' VAL . 10.7 t70 -55.68 -27.03 47.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 73.450000000000003 110.842 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -110.67 -61.74 1.63 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 61.0 110.892 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.748 HD23 ' O ' ' A' ' 31' ' ' SER . 3.2 mm? -51.23 -63.43 1.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 71.340000000000003 110.906 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 126.68 3.04 6.62 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.729 -0.748 . . . . 73.329999999999998 112.494 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.654 ' O ' HG23 ' A' ' 33' ' ' VAL . . . -60.8 -168.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.818 0.342 . . . . 62.240000000000002 111.092 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -131.05 -79.09 0.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 71.439999999999998 110.833 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.441 ' O ' HG22 ' A' ' 44' ' ' VAL . 1.4 t -140.83 -43.75 0.39 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 72.409999999999997 110.83 -179.731 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -53.43 -28.38 29.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 62.229999999999997 110.92 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.444 ' HB3' ' HB1' ' A' ' 38' ' ' ALA . 5.1 t70 -70.37 -60.18 2.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 72.510000000000005 110.874 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.704 ' O ' HG23 ' A' ' 47' ' ' VAL . 3.0 p -48.7 -51.12 30.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.14 -0.482 . . . . 61.310000000000002 111.147 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.441 HG22 ' O ' ' A' ' 40' ' ' SER . 30.7 m -62.86 -38.05 80.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 41.119999999999997 111.123 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -60.13 -53.29 59.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 65.209999999999994 110.849 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.764 HD12 ' CE2' ' A' ' 32' ' ' PHE . 16.2 mt -57.24 -48.31 79.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 72.430000000000007 110.907 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.704 HG23 ' O ' ' A' ' 43' ' ' THR . 97.8 t -50.93 -48.66 28.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 64.430000000000007 111.101 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 3.4 mtt -61.77 -46.88 87.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 75.230000000000004 110.832 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.38 -29.64 61.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 54.100000000000001 111.08 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 81.8 mt -74.87 -54.91 6.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 73.219999999999999 110.935 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -64.09 -15.13 58.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 72.420000000000002 110.909 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -96.28 -55.71 2.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 74.129999999999995 110.888 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -69.44 -54.81 12.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.473 . . . . 72.200000000000003 110.848 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.559 ' HB3' HG23 ' A' ' 56' ' ' THR . 27.0 m-85 -81.22 -0.62 41.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 73.540000000000006 110.887 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 51.19 35.57 13.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 55.299999999999997 110.849 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.559 HG23 ' HB3' ' A' ' 54' ' ' PHE . 62.3 p -91.85 172.57 8.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.468 . . . . 72.329999999999998 111.133 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -114.54 86.44 2.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 71.319999999999993 110.898 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.526 HD11 ' CE1' ' A' ' 75' ' ' TYR . 51.3 mm -111.58 78.11 1.95 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.604 0.716 . . . . 75.299999999999997 111.147 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -174.25 0.87 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.672 2.248 . . . . 71.319999999999993 112.34 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -51.36 -40.35 58.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 63.409999999999997 110.863 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -56.61 -75.12 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 72.140000000000001 110.867 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -53.8 -27.57 30.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 73.409999999999997 110.912 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.66 -44.98 95.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 41.130000000000003 111.094 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -59.41 -20.67 56.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 74.319999999999993 110.91 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.34 -45.6 10.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 74.25 110.946 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.614 HD12 ' HA ' ' A' ' 72' ' ' ALA . 50.2 mm -71.82 84.41 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 74.310000000000002 111.17 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.523 ' O ' HG23 ' A' ' 68' ' ' THR . 10.8 t -126.81 21.94 6.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 70.420000000000002 111.156 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.793 HG22 ' HA ' ' A' ' 31' ' ' SER . 0.8 OUTLIER -161.31 152.54 18.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 75.099999999999994 111.126 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.9 t -51.71 -58.65 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 74.450000000000003 111.075 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -51.63 -40.58 60.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 73.209999999999994 110.942 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.87 -46.55 81.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 60.340000000000003 111.119 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.614 ' HA ' HD12 ' A' ' 66' ' ' ILE . . . -64.9 -54.78 25.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 61.329999999999998 111.073 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.47 HD12 HG21 ' A' ' 11' ' ' VAL . 1.6 tp -56.57 -32.58 37.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 64.049999999999997 111.177 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -68.35 -49.08 62.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 63.32 110.885 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.526 ' CE1' HD11 ' A' ' 58' ' ' ILE . 4.2 t80 -58.03 -59.95 4.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 75.140000000000001 110.909 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 67.1 t -53.23 -45.74 55.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 52.329999999999998 111.134 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -64.86 -29.16 70.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 73.230000000000004 110.896 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.4 t -78.58 -33.47 47.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 75.150000000000006 110.835 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 7.9 m80 -94.2 59.45 2.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 65.219999999999999 110.85 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 11.5 mm-40 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 71.120000000000005 110.879 -179.926 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.482 -0.247 . . . . 73.010000000000005 112.482 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.443 ' O ' HD12 ' A' ' 2' ' ' ILE . 1.1 pp -124.04 159.18 57.76 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.594 0.711 . . . . 73.25 111.157 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 0.19 6.03 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.628 2.219 . . . . 55.340000000000003 112.353 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 62.45 17.59 9.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 50.299999999999997 110.936 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.2 t -122.59 -8.32 8.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 63.009999999999998 110.896 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -92.25 -38.78 11.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 73.329999999999998 110.875 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.414 HG22 HD11 ' A' ' 73' ' ' ILE . 32.9 mt -63.99 -49.06 83.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 64.540000000000006 111.134 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -52.91 -47.83 67.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 71.329999999999998 110.917 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -62.46 -46.33 88.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 74.140000000000001 110.903 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.744 ' O ' HD12 ' A' ' 14' ' ' ILE . 0.3 OUTLIER -59.02 -63.41 1.31 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 74.540000000000006 110.851 -179.906 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.867 HG21 HD12 ' A' ' 73' ' ' ILE . 96.5 t -47.03 -41.28 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 62.25 111.091 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.565 ' O ' HG23 ' A' ' 16' ' ' VAL . 0.1 OUTLIER -65.27 -45.84 82.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 53.240000000000002 110.874 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 pttt -56.71 -32.86 65.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 74.209999999999994 110.878 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.744 HD12 ' O ' ' A' ' 10' ' ' ARG . 1.7 mp -72.49 -54.75 15.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 63.420000000000002 111.11 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.743 HD12 ' O ' ' A' ' 11' ' ' VAL . 3.2 mt -59.89 -27.62 38.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 74.140000000000001 111.13 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 12' ' ' LYS . 87.7 t -83.47 -32.83 9.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 75.310000000000002 111.164 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -83.19 -18.03 40.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.149 -0.478 . . . . 61.109999999999999 110.886 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 37.1 mm-40 -94.83 -51.52 4.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 70.310000000000002 110.932 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.59 HD21 ' OD1' ' A' ' 42' ' ' ASP . 58.2 mt -79.01 -61.86 1.88 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 74.239999999999995 110.882 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 127.22 -20.42 5.91 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.802 -0.713 . . . . 63.310000000000002 112.525 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.51 ' O ' HG13 ' A' ' 16' ' ' VAL . 19.2 m -62.31 -174.55 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.845 0.355 . . . . 74.200000000000003 111.119 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -98.44 140.65 32.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 63.240000000000002 110.875 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.611 ' O ' HG12 ' A' ' 26' ' ' VAL . 12.8 pt-20 -57.08 -24.11 51.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.436 . . . . 64.040000000000006 110.905 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.19 -24.36 37.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.11 -0.496 . . . . 64.120000000000005 111.113 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -80.44 -42.54 22.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 72.420000000000002 110.899 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.611 HG12 ' O ' ' A' ' 23' ' ' GLU . 10.2 p -51.56 147.98 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 72.430000000000007 111.081 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 60.3 mttt -119.5 131.89 55.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 64.340000000000003 110.907 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -63.19 -45.89 89.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 71.140000000000001 110.914 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -88.37 58.58 4.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 64.030000000000001 110.904 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.613 ' HB1' ' HB2' ' A' ' 35' ' ' ASP . . . -144.85 -179.7 6.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 70.400000000000006 111.123 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.751 ' HA ' HG22 ' A' ' 68' ' ' THR . 0.3 OUTLIER -118.04 160.7 21.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 62.119999999999997 110.878 -179.803 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.58 ' CE2' HD12 ' A' ' 46' ' ' LEU . 9.8 m-85 -75.73 -14.84 60.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 75.530000000000001 110.854 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.689 HG13 ' O ' ' A' ' 38' ' ' ALA . 5.4 t -120.88 2.3 6.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 74.299999999999997 111.16 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -107.48 -64.07 1.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 71.400000000000006 110.869 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.613 ' HB2' ' HB1' ' A' ' 30' ' ' ALA . 6.7 t0 -71.08 -45.61 63.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 43.200000000000003 110.84 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.56 HD23 ' HA ' ' A' ' 32' ' ' PHE . 0.8 OUTLIER -91.15 -27.14 18.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 73.030000000000001 110.935 -179.919 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.49 41.97 96.01 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.744 -0.741 . . . . 71.319999999999993 112.495 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.689 ' O ' HG13 ' A' ' 33' ' ' VAL . . . -89.39 174.83 7.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.795 0.331 . . . . 51.340000000000003 111.096 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -92.04 -175.82 4.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 71.340000000000003 110.84 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.4 m -61.15 -38.02 84.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 62.210000000000001 110.851 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.492 HD13 ' O ' ' A' ' 41' ' ' LEU . 0.3 OUTLIER -52.62 -34.31 50.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 72.340000000000003 110.943 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.59 ' OD1' HD21 ' A' ' 19' ' ' LEU . 29.3 t0 -64.86 -57.48 8.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 74.400000000000006 110.882 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.494 HG22 ' HD2' ' A' ' 32' ' ' PHE . 68.8 p -51.29 -52.83 41.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 70.450000000000003 111.134 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 60.9 t -57.62 -40.15 73.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 73.230000000000004 111.127 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -57.55 -46.54 83.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.142 -0.481 . . . . 72.019999999999996 110.872 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.58 HD12 ' CE2' ' A' ' 32' ' ' PHE . 27.8 mt -62.31 -48.39 80.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.204 -0.453 . . . . 72.099999999999994 110.936 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.602 HG13 HG21 ' A' ' 58' ' ' ILE . 87.7 t -51.29 -46.88 34.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 71.040000000000006 111.124 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 19.5 mtp -61.84 -49.55 75.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 71.129999999999995 110.933 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -53.71 -33.41 55.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 52.32 111.06 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 1.068 HD22 HG11 ' A' ' 76' ' ' VAL . 79.3 mt -71.38 -51.39 24.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 73.430000000000007 110.931 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -71.38 -8.78 56.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 64.329999999999998 110.882 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -98.42 -45.94 5.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 73.439999999999998 110.867 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -86.37 -53.68 4.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 63.100000000000001 110.897 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 -82.2 -3.72 55.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 70.209999999999994 110.87 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.8 t0 51.33 30.01 5.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.475 . . . . 73.200000000000003 110.889 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.0 t -80.64 141.72 34.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 52.43 111.135 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -80.49 90.75 5.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 73.129999999999995 110.945 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.602 HG21 HG13 ' A' ' 47' ' ' VAL . 46.6 mt -118.6 82.35 19.66 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.636 0.732 . . . . 73.540000000000006 111.153 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -170.5 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.693 2.262 . . . . 62.43 112.343 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -54.97 -51.77 65.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 62.439999999999998 110.916 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -53.48 -63.68 1.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 65.319999999999993 110.912 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -57.32 -23.38 48.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 74.140000000000001 110.915 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.14 -29.22 57.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 72.400000000000006 111.093 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -77.35 -32.92 55.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 60.409999999999997 110.909 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 52.5 pttt -81.08 -32.13 34.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 65.209999999999994 110.897 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 47.1 mm -91.23 83.58 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 72.540000000000006 111.126 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.1 t -123.21 19.39 9.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 63.43 111.069 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.751 HG22 ' HA ' ' A' ' 31' ' ' SER . 16.8 p -139.69 156.74 46.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 74.340000000000003 111.102 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 60.5 t -55.8 -61.47 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 75.200000000000003 111.177 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 10.8 tp60 -50.35 -42.29 52.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 72.530000000000001 110.92 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.71 -45.47 89.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 63.439999999999998 111.061 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.625 ' HB1' HD11 ' A' ' 50' ' ' LEU . . . -65.63 -56.02 14.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 73.439999999999998 111.115 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.867 HD12 HG21 ' A' ' 11' ' ' VAL . 1.4 tp -55.8 -34.72 37.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 75.030000000000001 111.128 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -70.91 -37.77 72.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 75.420000000000002 110.881 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -64.1 -59.15 4.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 73.209999999999994 110.88 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 1.068 HG11 HD22 ' A' ' 50' ' ' LEU . 18.7 m -58.79 -40.58 80.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 74.030000000000001 111.099 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -65.8 -30.98 71.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 72.549999999999997 110.855 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 30.7 t -84.8 -26.18 27.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 72.209999999999994 110.852 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 9.6 m80 -93.29 58.5 2.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 74.319999999999993 110.865 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 72.120000000000005 110.91 -179.949 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.494 -0.242 . . . . 34.229999999999997 112.494 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.429 HG22 ' H ' ' A' ' 4' ' ' LEU . 7.8 mt -125.12 131.09 24.01 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.672 0.749 . . . . 63.240000000000002 111.107 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 2.81 3.19 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.705 2.27 . . . . 72.340000000000003 112.313 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.429 ' H ' HG22 ' A' ' 2' ' ' ILE . 5.1 mt 67.82 20.9 9.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 72.450000000000003 110.923 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.7 t -116.38 -23.7 8.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 53.219999999999999 110.868 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -81.28 -43.59 18.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 54.420000000000002 110.864 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.509 ' O ' HG23 ' A' ' 11' ' ' VAL . 19.9 mt -52.4 -47.47 46.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 54.109999999999999 111.126 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -51.05 -46.61 61.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 74.120000000000005 110.876 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 47.5 tt0 -64.87 -44.63 89.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 53.43 110.933 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.758 ' O ' HD12 ' A' ' 14' ' ' ILE . 1.1 mtt180 -61.52 -60.54 3.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.128 -0.487 . . . . 74.329999999999998 110.894 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.848 HG21 HD12 ' A' ' 73' ' ' ILE . 44.1 t -48.88 -48.19 16.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 74.239999999999995 111.104 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.525 ' O ' HG23 ' A' ' 16' ' ' VAL . 0.2 OUTLIER -61.1 -43.72 98.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 75.439999999999998 110.917 179.9 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.4 ttpt -54.49 -41.63 69.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 73.019999999999996 110.888 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.758 HD12 ' O ' ' A' ' 10' ' ' ARG . 2.4 mp -66.66 -54.22 27.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 74.430000000000007 111.09 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.724 HD12 ' O ' ' A' ' 11' ' ' VAL . 3.5 mt -59.48 -29.51 42.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 65.140000000000001 111.146 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.572 HG22 ' O ' ' A' ' 21' ' ' VAL . 79.2 t -84.99 -25.22 6.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 73.5 111.151 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -89.75 -13.53 36.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 74.140000000000001 110.907 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.608 ' OE1' HD23 ' A' ' 46' ' ' LEU . 1.3 mt-30 -107.1 -56.39 2.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 74.140000000000001 110.897 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.731 HD21 ' OD1' ' A' ' 42' ' ' ASP . 39.4 mt -80.0 -28.7 39.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 71.319999999999993 110.912 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.67 -21.82 41.12 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.765 -0.731 . . . . 53.130000000000003 112.481 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.572 ' O ' HG22 ' A' ' 16' ' ' VAL . 17.4 m -53.95 162.82 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.769 0.319 . . . . 62.200000000000003 111.172 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -86.82 145.59 26.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.448 . . . . 72.120000000000005 110.865 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.515 ' O ' HG12 ' A' ' 26' ' ' VAL . 11.9 pt-20 -57.16 -23.62 48.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 70.140000000000001 110.862 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.19 -42.13 14.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 62.420000000000002 111.091 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -66.94 -39.82 87.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 71.450000000000003 110.825 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.515 HG12 ' O ' ' A' ' 23' ' ' GLU . 10.0 p -51.64 140.12 6.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 74.329999999999998 111.11 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -105.77 134.59 48.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 71.200000000000003 110.899 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -77.92 -34.82 51.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 63.049999999999997 110.845 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -93.24 42.31 1.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 72.540000000000006 110.874 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.619 ' HB1' ' CG ' ' A' ' 35' ' ' ASP . . . -137.26 157.78 45.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 64.530000000000001 111.088 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.403 ' CB ' HG22 ' A' ' 68' ' ' THR . 6.0 m -91.96 -171.7 2.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 63.340000000000003 110.84 -179.753 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.752 ' HA ' HD12 ' A' ' 36' ' ' LEU . 15.5 m-85 -99.67 -27.68 13.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 75.450000000000003 110.863 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.687 HG12 ' O ' ' A' ' 38' ' ' ALA . 12.6 m -120.67 -34.17 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 55.43 111.174 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.65 -25.1 61.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 64.299999999999997 110.89 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.619 ' CG ' ' HB1' ' A' ' 30' ' ' ALA . 24.2 t70 -114.24 -74.52 0.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 75.230000000000004 110.816 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.752 HD12 ' HA ' ' A' ' 32' ' ' PHE . 23.3 mt -51.89 -29.75 21.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 53.409999999999997 110.942 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 75.95 35.51 44.46 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.719 -0.753 . . . . 71.400000000000006 112.451 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.687 ' O ' HG12 ' A' ' 33' ' ' VAL . . . -87.1 -174.2 4.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.831 0.348 . . . . 71.239999999999995 111.083 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -104.62 171.55 7.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.429 . . . . 62.399999999999999 110.875 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.406 ' O ' HG23 ' A' ' 44' ' ' VAL . 29.0 t -54.68 -33.52 60.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 60.340000000000003 110.848 -179.755 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.54 HD13 ' O ' ' A' ' 41' ' ' LEU . 0.4 OUTLIER -58.5 -39.42 80.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 71.329999999999998 110.94 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.731 ' OD1' HD21 ' A' ' 19' ' ' LEU . 4.8 t0 -61.24 -56.96 14.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.158 -0.474 . . . . 62.539999999999999 110.889 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.61 HG22 ' HB2' ' A' ' 32' ' ' PHE . 74.9 p -50.8 -52.35 41.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.15 -0.477 . . . . 62.299999999999997 111.156 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.548 HG12 ' SD ' ' A' ' 48' ' ' MET . 72.5 t -56.79 -38.37 58.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.446 . . . . 74.319999999999993 111.1 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -60.69 -45.24 94.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 74.129999999999995 110.887 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.608 HD23 ' OE1' ' A' ' 18' ' ' GLN . 32.1 mt -66.85 -49.59 65.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 71.230000000000004 110.935 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 43' ' ' THR . 75.3 t -51.05 -42.78 25.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 64.519999999999996 111.14 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.548 ' SD ' HG12 ' A' ' 44' ' ' VAL . 5.2 mtp -70.08 -41.89 73.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 61.210000000000001 110.858 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.76 -26.36 67.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 75.329999999999998 111.071 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.725 HD11 ' HB1' ' A' ' 72' ' ' ALA . 81.1 mt -82.93 -51.08 7.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.251 -0.431 . . . . 71.209999999999994 110.905 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -68.48 -12.13 60.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 70.109999999999999 110.871 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -100.26 -49.16 4.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 73.319999999999993 110.92 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -76.82 -52.1 10.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 72.340000000000003 110.857 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.532 ' HB3' HG23 ' A' ' 56' ' ' THR . 30.6 m-85 -85.72 -0.69 55.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 74.319999999999993 110.912 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.0 t0 49.89 37.7 14.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.486 . . . . 75.409999999999997 110.838 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.871 HG21 HG12 ' A' ' 76' ' ' VAL . 44.8 p -88.53 129.32 35.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 71.120000000000005 111.155 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -69.98 84.17 0.5 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.225 -0.443 . . . . 73.400000000000006 110.905 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 49.4 mm -111.08 78.51 1.72 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.573 0.701 . . . . 74.510000000000005 111.125 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -170.92 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.709 2.273 . . . . 45.049999999999997 112.35 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -55.53 -42.88 75.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 73.540000000000006 110.86 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -58.44 -61.76 2.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 64.319999999999993 110.829 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.96 -14.58 60.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 72.310000000000002 110.87 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -80.38 -32.29 37.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 64.450000000000003 111.097 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.69 -18.02 58.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 72.209999999999994 110.887 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt -98.91 -35.26 10.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 63.409999999999997 110.913 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 40.8 mm -87.41 83.48 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 61.200000000000003 111.134 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 10.6 t -126.51 23.34 6.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 74.239999999999995 111.165 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.403 HG22 ' CB ' ' A' ' 31' ' ' SER . 19.8 p -144.96 160.29 41.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.201 -0.454 . . . . 63.200000000000003 111.106 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 48.8 t -60.45 -60.64 2.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 61.299999999999997 111.111 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -50.57 -37.5 40.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 71.030000000000001 110.899 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.82 -49.91 59.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 73.030000000000001 111.111 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.725 ' HB1' HD11 ' A' ' 50' ' ' LEU . . . -62.11 -53.09 60.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 61.229999999999997 111.119 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.848 HD12 HG21 ' A' ' 11' ' ' VAL . 1.4 tp -58.46 -35.91 56.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 74.349999999999994 111.152 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -67.56 -37.28 82.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 52.340000000000003 110.87 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -67.46 -65.21 0.72 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 74.120000000000005 110.918 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.871 HG12 HG21 ' A' ' 56' ' ' THR . 21.4 m -50.94 -39.93 19.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.106 -0.497 . . . . 74.340000000000003 111.199 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 32.7 t-20 -65.31 -42.43 93.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 72.409999999999997 110.913 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 46.9 t -73.11 -22.77 60.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 70.420000000000002 110.848 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 11.0 m80 -110.24 67.73 0.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 73.230000000000004 110.848 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 6.7 mp0 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 63.450000000000003 110.895 -179.921 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.467 -0.253 . . . . 64.540000000000006 112.467 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.444 HG23 ' HD2' ' A' ' 3' ' ' PRO . 5.1 mp -102.58 133.07 20.69 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.662 0.744 . . . . 71.400000000000006 111.134 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.444 ' HD2' HG23 ' A' ' 2' ' ' ILE . 53.6 Cg_endo -69.78 178.26 4.76 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.659 2.24 . . . . 73.209999999999994 112.352 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -96.88 28.4 3.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 73.120000000000005 110.909 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.2 m -130.53 -50.73 1.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 65.219999999999999 110.889 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -50.21 -36.52 31.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.078 -0.51 . . . . 63.299999999999997 110.878 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.655 ' O ' HG23 ' A' ' 11' ' ' VAL . 69.6 mt -71.49 -47.2 59.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 71.230000000000004 111.119 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -59.43 -47.25 86.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 71.140000000000001 110.894 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -63.82 -39.15 93.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 72.430000000000007 110.853 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.592 ' O ' HD12 ' A' ' 14' ' ' ILE . 9.5 mtp180 -67.59 -57.7 5.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 65.319999999999993 110.907 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 7' ' ' ILE . 62.1 t -49.39 -60.82 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 71.439999999999998 111.177 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.648 ' O ' HG23 ' A' ' 16' ' ' VAL . 41.2 mmtm -50.22 -47.4 54.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 74.109999999999999 110.905 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.0 ttpt -49.2 -58.04 5.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 64.120000000000005 110.882 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.755 HG22 ' NE2' ' A' ' 18' ' ' GLN . 3.3 mt -52.56 -56.94 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 55.520000000000003 111.064 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.596 HG13 HD22 ' A' ' 46' ' ' LEU . 2.0 mp -53.39 -33.11 20.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 73.549999999999997 111.148 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 12' ' ' LYS . 74.7 t -75.29 -27.11 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 61.43 111.111 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -80.15 -27.15 39.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 73.299999999999997 110.908 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.755 ' NE2' HG22 ' A' ' 14' ' ' ILE . 3.3 mt-30 -83.33 -60.49 2.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 75.239999999999995 110.895 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 58.8 mt -70.34 -28.68 65.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 63.130000000000003 110.885 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.89 15.17 76.02 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.792 -0.718 . . . . 64.310000000000002 112.475 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.404 ' O ' HG13 ' A' ' 16' ' ' VAL . 32.7 m -90.93 -179.94 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.802 0.334 . . . . 73.310000000000002 111.109 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -77.87 128.48 34.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 72.530000000000001 110.886 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -52.44 -29.4 24.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 63.240000000000002 110.877 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.63 -43.76 88.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 75.510000000000005 111.091 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -58.26 -51.75 68.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 55.140000000000001 110.906 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 56.4 t -51.7 106.13 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 75.230000000000004 111.157 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 48.1 mttp -95.93 143.1 27.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 72.530000000000001 110.907 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -63.14 -29.11 70.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 64.209999999999994 110.918 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -98.29 29.32 3.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 74.450000000000003 110.885 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.35 141.59 48.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 75.439999999999998 111.111 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.703 ' CB ' HG22 ' A' ' 68' ' ' THR . 8.8 t -90.1 167.29 12.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 74.109999999999999 110.898 -179.77 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.639 ' HB2' HG22 ' A' ' 43' ' ' THR . 6.8 m-85 -84.56 -29.27 26.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 74.430000000000007 110.909 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 5.5 m -121.38 -32.36 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 74.310000000000002 111.097 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -72.51 -27.44 62.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 72.310000000000002 110.86 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -113.87 -74.59 0.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 72.430000000000007 110.888 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.529 HD12 ' HA ' ' A' ' 32' ' ' PHE . 21.2 mt -55.5 -26.88 45.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 74.450000000000003 110.925 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.24 48.19 54.06 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.703 -0.761 . . . . 51.399999999999999 112.503 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -82.36 -80.72 0.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.758 0.313 . . . . 61.130000000000003 111.078 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 178.98 179.83 0.39 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 75.219999999999999 110.857 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 41.8 m -71.3 -42.41 68.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 72.109999999999999 110.849 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.7 tp -53.64 -32.73 52.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.13 -0.486 . . . . 71.209999999999994 110.896 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -65.87 -56.2 13.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 73.340000000000003 110.857 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.639 HG22 ' HB2' ' A' ' 32' ' ' PHE . 81.2 p -51.56 -55.25 20.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 74.230000000000004 111.164 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.544 HG22 ' SD ' ' A' ' 48' ' ' MET . 7.2 p -57.46 -36.87 54.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 62.219999999999999 111.165 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -59.15 -45.19 91.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 71.209999999999994 110.849 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.596 HD22 HG13 ' A' ' 15' ' ' ILE . 25.3 mt -64.59 -50.29 67.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 71.340000000000003 110.948 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.512 HG13 ' CG2' ' A' ' 58' ' ' ILE . 93.2 t -50.59 -44.12 24.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 72.099999999999994 111.126 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.544 ' SD ' HG22 ' A' ' 44' ' ' VAL . 35.5 mtp -67.4 -41.1 85.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 54.509999999999998 110.861 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.731 ' HB1' HG21 ' A' ' 14' ' ' ILE . . . -58.92 -30.44 67.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.273 -0.422 . . . . 44.130000000000003 111.109 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.726 HD22 HG21 ' A' ' 76' ' ' VAL . 89.1 mt -78.75 -58.02 3.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 74.099999999999994 110.928 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.497 ' HB3' HD12 ' A' ' 58' ' ' ILE . 0.2 OUTLIER -59.58 -19.17 46.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 62.409999999999997 110.888 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 78.7 tt0 -92.59 -60.59 1.79 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 61.219999999999999 110.899 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -63.95 -58.48 6.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.482 . . . . 63.329999999999998 110.879 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -75.36 -6.49 50.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 75.019999999999996 110.908 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.1 t0 61.61 26.77 16.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.09 -0.505 . . . . 74.200000000000003 110.86 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -78.93 174.5 11.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 62.32 111.101 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -117.76 88.42 2.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 72.400000000000006 110.884 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.512 ' CG2' HG13 ' A' ' 47' ' ' VAL . 3.0 mp -117.44 77.38 10.29 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.605 0.717 . . . . 54.020000000000003 111.085 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -169.56 0.33 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.681 2.254 . . . . 71.230000000000004 112.341 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -52.96 -48.27 67.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 72.010000000000005 110.862 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -54.43 -68.33 0.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 70.5 110.883 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.406 ' HB3' HG23 ' A' ' 58' ' ' ILE . 0.5 OUTLIER -51.91 -37.88 54.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 75.109999999999999 110.876 -179.913 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.09 -47.13 72.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 60.140000000000001 111.1 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -55.07 -25.73 32.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 64.219999999999999 110.865 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.3 mtpt -81.14 -46.16 15.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 62.100000000000001 110.884 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 30.6 mm -75.67 96.25 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.223 -0.444 . . . . 72.340000000000003 111.147 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 54.1 p -117.3 -22.04 8.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 72.239999999999995 111.152 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.703 HG22 ' CB ' ' A' ' 31' ' ' SER . 17.7 p -124.93 -177.27 3.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 74.430000000000007 111.099 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 42.9 t -70.47 -49.25 54.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 74.5 111.123 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.8 -45.83 64.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 75.329999999999998 110.882 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.8 -43.98 97.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 74.030000000000001 111.119 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.417 ' HB1' HD11 ' A' ' 50' ' ' LEU . . . -67.12 -60.17 2.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 71.129999999999995 111.083 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 5.6 tp -51.25 -31.15 11.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 75.409999999999997 111.178 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -72.08 -52.25 17.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 75.109999999999999 110.86 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -52.36 -55.56 20.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 75.219999999999999 110.922 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.726 HG21 HD22 ' A' ' 50' ' ' LEU . 80.7 t -59.58 -50.83 78.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 63.439999999999998 111.147 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -56.55 -26.61 55.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 64.030000000000001 110.905 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 9.3 t -88.13 -30.24 19.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 73.219999999999999 110.84 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 10.9 m80 -90.08 55.62 3.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 63.009999999999998 110.859 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 39.9 mm-40 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 64.010000000000005 110.914 -179.904 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.533 -0.227 . . . . 63.240000000000002 112.533 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 24.2 mm 64.88 132.42 0.03 OUTLIER Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.619 0.723 . . . . 74.329999999999998 111.114 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -178.25 2.25 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.649 2.233 . . . . 71.420000000000002 112.367 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.501 HD22 HD21 ' A' ' 77' ' ' ASN . 0.8 OUTLIER -96.0 34.71 1.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 64.129999999999995 110.887 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 m -129.86 -39.82 1.39 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 75.140000000000001 110.87 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -65.66 -54.15 31.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 73.310000000000002 110.892 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.532 HG23 ' CZ ' ' A' ' 54' ' ' PHE . 13.5 mt -51.2 -36.58 16.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 72.450000000000003 111.185 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -60.55 -55.83 28.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.101 -0.5 . . . . 73.120000000000005 110.9 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -60.31 -38.29 83.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 72.310000000000002 110.857 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.754 ' O ' HD12 ' A' ' 14' ' ' ILE . 0.0 OUTLIER -65.77 -64.47 0.85 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 71.299999999999997 110.836 -179.879 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -49.73 -31.44 6.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 74.420000000000002 111.165 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.596 ' O ' HG23 ' A' ' 16' ' ' VAL . 0.2 OUTLIER -69.19 -49.65 54.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 73.510000000000005 110.902 179.899 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt -56.09 -44.87 79.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 55.119999999999997 110.922 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.754 HD12 ' O ' ' A' ' 10' ' ' ARG . 2.6 mp -61.04 -58.93 5.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 72.25 111.157 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 29.4 mt -51.75 -31.18 12.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 74.319999999999993 111.126 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.692 HG13 ' O ' ' A' ' 21' ' ' VAL . 83.3 t -81.33 -31.29 11.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 75.129999999999995 111.109 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -81.9 -16.45 50.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 74.319999999999993 110.838 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -96.33 -39.6 9.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 74.329999999999998 110.872 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.504 HD13 HD13 ' A' ' 36' ' ' LEU . 73.7 mt -90.34 -27.83 19.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 74.340000000000003 110.879 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.4 19.12 79.92 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.736 -0.745 . . . . 45.520000000000003 112.473 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.692 ' O ' HG13 ' A' ' 16' ' ' VAL . 19.9 m -102.25 -178.88 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.823 0.344 . . . . 73.219999999999999 111.156 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -79.55 131.9 36.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 64.200000000000003 110.869 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.466 ' HB3' HG21 ' A' ' 16' ' ' VAL . 12.6 pt-20 -54.15 -28.19 38.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 75.230000000000004 110.897 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.02 -44.11 81.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 43.299999999999997 111.117 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -60.72 -29.97 69.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 75.409999999999997 110.889 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 96.1 t -59.22 101.05 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 54.109999999999999 111.139 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 44.0 mmtt -90.13 128.03 36.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 73.25 110.882 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -54.83 -42.81 72.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 72.109999999999999 110.87 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -91.42 59.2 3.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 73.530000000000001 110.887 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -153.81 141.08 19.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 73.230000000000004 111.076 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.604 ' CB ' HG22 ' A' ' 68' ' ' THR . 0.8 OUTLIER -83.99 161.77 20.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 72.219999999999999 110.837 -179.784 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.753 ' HA ' HD12 ' A' ' 36' ' ' LEU . 12.9 m-85 -69.67 -23.23 63.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.484 . . . . 74.430000000000007 110.885 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 46.8 t -127.94 -48.43 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 45.200000000000003 111.148 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -52.09 -30.3 25.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.478 . . . . 63.299999999999997 110.869 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -112.15 -71.74 0.74 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 73.120000000000005 110.848 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.753 HD12 ' HA ' ' A' ' 32' ' ' PHE . 38.5 mt -51.5 -47.73 63.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 73.239999999999995 110.921 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 98.36 20.45 20.11 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.717 -0.754 . . . . 65.219999999999999 112.489 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.566 ' HB1' ' CG ' ' A' ' 42' ' ' ASP . . . -67.98 -169.31 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.74 0.305 . . . . 53.219999999999999 111.115 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -111.82 169.93 8.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 71.530000000000001 110.825 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -53.08 -43.07 66.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 74.140000000000001 110.835 -179.774 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.2 tp -53.27 -34.47 57.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.132 -0.485 . . . . 74.310000000000002 110.906 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.566 ' CG ' ' HB1' ' A' ' 38' ' ' ALA . 2.1 m-20 -64.35 -57.51 9.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 70.530000000000001 110.904 179.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.525 HG22 ' HB2' ' A' ' 32' ' ' PHE . 74.4 p -51.59 -56.33 14.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 45.409999999999997 111.122 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 46.8 t -54.38 -40.17 47.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 53.049999999999997 111.12 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -57.38 -49.53 75.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 64.329999999999998 110.872 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.554 HD12 ' CE2' ' A' ' 32' ' ' PHE . 30.7 mt -58.98 -49.79 76.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.478 . . . . 74.209999999999994 110.896 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 95.0 t -50.24 -48.58 24.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 71.109999999999999 111.154 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 15.7 mtp -58.8 -48.28 81.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.467 . . . . 73.349999999999994 110.89 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.77 -29.87 65.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 65.25 111.134 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.551 HD22 HG11 ' A' ' 76' ' ' VAL . 96.4 mt -73.35 -42.64 61.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 31.309999999999999 110.936 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -80.77 -9.22 59.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 74.420000000000002 110.934 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -104.37 -24.77 13.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.487 . . . . 73.439999999999998 110.876 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -106.25 -46.03 4.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 75.140000000000001 110.895 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.532 ' CZ ' HG23 ' A' ' 7' ' ' ILE . 31.7 m-85 -96.95 0.87 49.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 72.540000000000006 110.862 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 50.55 34.28 9.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 75.030000000000001 110.851 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 1.04 HG21 HG12 ' A' ' 76' ' ' VAL . 30.2 p -86.34 119.74 26.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 71.420000000000002 111.13 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 20.5 mp0 -69.27 85.12 0.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 74.549999999999997 110.907 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 53.6 mt -109.2 85.45 3.41 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.624 0.726 . . . . 73.310000000000002 111.098 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 179.57 3.62 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.696 2.264 . . . . 43.450000000000003 112.302 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -54.58 -42.61 71.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 63.030000000000001 110.865 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -56.63 -57.89 10.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 61.039999999999999 110.896 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -74.68 -5.73 44.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 62.409999999999997 110.91 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -83.66 -35.45 24.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.483 . . . . 75.299999999999997 111.104 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -70.73 -23.57 62.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 74.430000000000007 110.924 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -90.74 -33.64 15.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 73.409999999999997 110.851 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 46.0 mm -90.41 85.12 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 74.109999999999999 111.136 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 64.0 p -131.4 22.69 4.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 54.439999999999998 111.129 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.604 HG22 ' CB ' ' A' ' 31' ' ' SER . 12.3 p -140.55 158.12 44.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 64.439999999999998 111.146 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 37.4 t -55.31 -61.83 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.23 -0.441 . . . . 72.430000000000007 111.106 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 -51.49 -44.37 62.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 75.549999999999997 110.906 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.9 -42.99 99.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 73.319999999999993 111.074 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.31 -59.0 3.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 63.43 111.097 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 3.4 tp -52.19 -33.57 16.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.28 -0.418 . . . . 72.230000000000004 111.095 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -70.97 -46.17 62.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 65.420000000000002 110.85 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -55.96 -56.35 21.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.456 . . . . 75.109999999999999 110.945 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 1.04 HG12 HG21 ' A' ' 56' ' ' THR . 22.7 m -61.59 -38.85 81.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 71.230000000000004 111.144 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.501 HD21 HD22 ' A' ' 4' ' ' LEU . 20.6 t-20 -68.04 -23.65 65.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 72.319999999999993 110.886 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 43.2 t -91.78 -31.1 15.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 53.32 110.847 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 18.0 m80 -93.89 52.56 1.67 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 73.340000000000003 110.851 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 55.219999999999999 110.948 -179.95 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.446 -0.262 . . . . 54.329999999999998 112.446 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.449 HG22 ' H ' ' A' ' 4' ' ' LEU . 19.2 mm 65.52 131.98 0.03 OUTLIER Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.666 0.746 . . . . 73.209999999999994 111.11 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 6.77 1.2 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.692 2.261 . . . . 74.219999999999999 112.309 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.449 ' H ' HG22 ' A' ' 2' ' ' ILE . 0.7 OUTLIER 62.17 18.7 10.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 60.210000000000001 110.92 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.2 m -118.63 -11.61 9.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 63.210000000000001 110.893 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -92.08 -52.7 4.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 74.299999999999997 110.873 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.528 ' O ' HG23 ' A' ' 11' ' ' VAL . 49.7 mt -57.74 -34.65 48.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 72.099999999999994 111.158 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -60.98 -56.54 19.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 73.239999999999995 110.911 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -64.63 -34.96 79.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 73.439999999999998 110.92 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.665 ' O ' HD12 ' A' ' 14' ' ' ILE . 3.1 mtp180 -67.49 -63.84 0.98 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 73.120000000000005 110.897 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.746 ' O ' HD12 ' A' ' 15' ' ' ILE . 98.0 t -50.93 -57.68 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 71.109999999999999 111.124 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.645 ' O ' HG23 ' A' ' 16' ' ' VAL . 24.4 mmtp -51.26 -49.01 62.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.47 . . . . 71.120000000000005 110.895 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.8 ttmt -48.83 -57.63 6.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 72.439999999999998 110.93 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.665 HD12 ' O ' ' A' ' 10' ' ' ARG . 3.3 mt -50.73 -57.76 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 63.450000000000003 111.18 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.746 HD12 ' O ' ' A' ' 11' ' ' VAL . 3.0 mt -54.01 -29.65 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 74.030000000000001 111.164 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 12' ' ' LYS . 73.5 t -80.3 -27.07 11.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 55.450000000000003 111.106 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -91.6 -9.72 43.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 71.430000000000007 110.892 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -104.35 -61.64 1.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 72.340000000000003 110.896 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.6 mp -72.84 -45.95 55.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 73.439999999999998 110.931 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 117.68 -32.08 5.49 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.727 -0.749 . . . . 63.520000000000003 112.477 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.4 ' O ' HG13 ' A' ' 16' ' ' VAL . 34.2 m -51.44 161.51 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.834 0.35 . . . . 34.420000000000002 111.138 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -83.81 146.33 28.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 65.010000000000005 110.863 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.477 ' HB3' HG21 ' A' ' 16' ' ' VAL . 7.7 pt-20 -62.61 -17.67 60.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 63.340000000000003 110.874 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -88.1 -60.65 1.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 25.0 111.061 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -51.93 -39.05 58.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 62.549999999999997 110.867 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.461 HG12 ' O ' ' A' ' 23' ' ' GLU . 8.6 p -51.93 150.44 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 75.030000000000001 111.134 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? -116.92 136.18 53.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 71.420000000000002 110.875 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -70.23 -38.14 75.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 62.310000000000002 110.897 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -90.56 46.89 1.37 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 62.240000000000002 110.869 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -139.66 157.33 45.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 64.310000000000002 111.09 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.468 ' OG ' HG22 ' A' ' 68' ' ' THR . 10.6 t -92.88 -175.52 3.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 73.200000000000003 110.892 -179.806 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.799 ' HA ' HD12 ' A' ' 36' ' ' LEU . 16.0 m-85 -96.54 -35.76 10.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 70.329999999999998 110.918 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.711 HG23 ' O ' ' A' ' 38' ' ' ALA . 8.0 p -121.04 -34.58 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 44.039999999999999 111.092 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -66.6 -23.38 66.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 70.430000000000007 110.874 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -117.6 -74.61 0.6 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 74.019999999999996 110.841 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.799 HD12 ' HA ' ' A' ' 32' ' ' PHE . 10.3 mt -51.58 -37.31 49.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 42.530000000000001 110.932 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 89.33 27.0 24.11 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.765 -0.731 . . . . 71.299999999999997 112.507 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.711 ' O ' HG23 ' A' ' 33' ' ' VAL . . . -69.01 -169.13 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.79 0.329 . . . . 60.439999999999998 111.111 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -106.08 -176.75 3.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.269 -0.423 . . . . 74.219999999999999 110.832 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.9 m -67.31 -48.55 67.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 74.230000000000004 110.886 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.18 -33.2 51.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.082 -0.508 . . . . 43.439999999999998 110.891 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.15 -63.25 1.37 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 74.239999999999995 110.87 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.753 HG22 ' HB2' ' A' ' 32' ' ' PHE . 50.6 p -51.55 -50.76 59.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 51.539999999999999 111.133 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 63.5 t -59.76 -35.92 62.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 73.109999999999999 111.129 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -63.04 -41.73 99.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 63.210000000000001 110.908 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.482 HD12 ' CE2' ' A' ' 32' ' ' PHE . 36.2 mt -66.35 -46.32 77.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 75.239999999999995 110.922 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.588 HG13 HG21 ' A' ' 58' ' ' ILE . 84.8 t -55.59 -56.54 11.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 72.030000000000001 111.117 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 26.6 ptm -58.83 -36.7 74.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 73.430000000000007 110.891 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.8 -40.5 88.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 60.140000000000001 111.105 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 41.0 mt -68.85 -59.62 2.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 60.340000000000003 110.894 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -56.24 -21.42 23.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 73.129999999999995 110.872 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -87.24 -62.75 1.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 75.349999999999994 110.901 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.26 -62.03 1.97 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 74.209999999999994 110.87 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -66.32 -13.83 61.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 73.099999999999994 110.887 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.5 t70 61.2 38.21 16.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 72.349999999999994 110.853 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.6 p -93.68 164.89 12.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.455 . . . . 72.109999999999999 111.143 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -96.75 83.85 3.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 54.109999999999999 110.932 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.588 HG21 HG13 ' A' ' 47' ' ' VAL . 51.7 mm -111.52 79.25 2.25 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.631 0.729 . . . . 73.209999999999994 111.154 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -170.48 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.705 2.27 . . . . 54.130000000000003 112.339 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -53.63 -50.51 65.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 74.319999999999993 110.853 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -52.12 -67.33 0.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 75.019999999999996 110.881 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -55.48 -26.02 40.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 71.230000000000004 110.86 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.81 -27.01 60.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 73.340000000000003 111.094 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -79.63 -35.02 40.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 74.329999999999998 110.842 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 10.9 ptmm? -79.91 -31.96 40.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 65.329999999999998 110.903 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 41.4 mm -91.17 86.4 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 73.439999999999998 111.12 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 10.1 t -126.27 12.74 7.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.203 -0.453 . . . . 74.239999999999995 111.12 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.468 HG22 ' OG ' ' A' ' 31' ' ' SER . 20.0 p -139.48 156.44 46.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 62.210000000000001 111.151 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 57.8 t -54.92 -59.52 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 64.219999999999999 111.144 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -51.15 -39.78 57.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 73.230000000000004 110.911 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.79 -46.33 79.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 71.010000000000005 111.104 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.87 -53.74 41.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 72.510000000000005 111.114 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 2.1 tp -57.45 -33.7 44.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 71.099999999999994 111.104 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -68.98 -43.75 74.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 62.119999999999997 110.839 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -61.03 -60.64 3.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 73.530000000000001 110.938 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 77.4 t -52.83 -48.69 49.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 74.510000000000005 111.156 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -65.33 -24.96 67.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 72.129999999999995 110.914 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.3 t -78.29 -44.19 26.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 74.400000000000006 110.81 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 3.3 m80 -82.84 56.72 3.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 72.420000000000002 110.84 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 75.409999999999997 110.956 -179.985 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.479 -0.248 . . . . 60.240000000000002 112.479 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.444 HG23 ' HD2' ' A' ' 3' ' ' PRO . 5.2 mp -105.43 133.09 20.34 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.589 0.709 . . . . 65.0 111.135 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.444 ' HD2' HG23 ' A' ' 2' ' ' ILE . 53.7 Cg_endo -69.78 173.52 10.86 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.667 2.244 . . . . 70.400000000000006 112.38 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.567 HD22 HD21 ' A' ' 77' ' ' ASN . 1.6 mt -95.85 26.62 3.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 64.219999999999999 110.889 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.6 t -115.69 -20.79 9.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 43.539999999999999 110.878 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -91.89 -40.27 11.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 74.120000000000005 110.924 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.66 ' O ' HG23 ' A' ' 11' ' ' VAL . 78.7 mt -61.79 -40.43 86.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 73.5 111.133 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.32 -47.11 79.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 75.239999999999995 110.886 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -66.43 -38.68 87.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 63.039999999999999 110.875 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.0 mmm-85 -66.41 -60.1 3.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 65.430000000000007 110.865 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.745 ' O ' HD12 ' A' ' 15' ' ' ILE . 32.1 t -50.72 -59.85 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 61.310000000000002 111.144 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.641 ' O ' HG23 ' A' ' 16' ' ' VAL . 36.8 mmtm -50.75 -46.75 59.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 54.109999999999999 110.917 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.6 ttpp -50.8 -48.33 59.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 75.540000000000006 110.925 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mp -60.2 -57.54 11.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 74.439999999999998 111.122 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.745 HD12 ' O ' ' A' ' 11' ' ' VAL . 2.6 mp -51.66 -33.95 15.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 73.230000000000004 111.143 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 12' ' ' LYS . 89.9 t -77.42 -38.86 27.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.174 -0.466 . . . . 72.439999999999998 111.131 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -71.91 -24.2 61.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 74.299999999999997 110.91 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 -84.63 -46.66 11.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 72.230000000000004 110.917 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -85.43 -65.39 1.02 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 71.0 110.918 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 127.17 -17.33 6.27 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.746 -0.74 . . . . 61.310000000000002 112.463 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.632 ' O ' HG13 ' A' ' 16' ' ' VAL . 23.0 m -66.17 -176.64 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.807 0.337 . . . . 73.420000000000002 111.139 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -91.65 132.64 36.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 55.149999999999999 110.861 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.616 ' HB3' HG21 ' A' ' 16' ' ' VAL . 1.6 pp20? -55.97 -26.4 48.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 65.299999999999997 110.892 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.89 -52.63 41.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 51.100000000000001 111.082 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -54.79 -26.86 37.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 62.200000000000003 110.875 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.474 HG22 HD11 ' A' ' 36' ' ' LEU . 65.7 t -82.54 116.74 27.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 65.219999999999999 111.166 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.587 ' O ' HG21 ' A' ' 69' ' ' VAL . 28.3 mtmm -97.04 175.55 6.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 73.319999999999993 110.931 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -77.95 -30.14 50.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 75.430000000000007 110.858 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -103.43 47.98 0.87 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 52.420000000000002 110.849 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.46 ' HB1' ' CG ' ' A' ' 35' ' ' ASP . . . -111.8 167.16 10.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 65.430000000000007 111.119 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.522 ' HA ' HG22 ' A' ' 68' ' ' THR . 3.5 m -105.38 161.24 14.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 63.130000000000003 110.889 -179.806 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.794 ' CE2' HD12 ' A' ' 46' ' ' LEU . 3.4 m-30 -87.45 8.36 25.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 75.510000000000005 110.87 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.657 HG13 ' O ' ' A' ' 38' ' ' ALA . 96.9 t -149.59 -41.2 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 73.510000000000005 111.129 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -70.38 -42.12 72.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 73.310000000000002 110.887 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.46 ' CG ' ' HB1' ' A' ' 30' ' ' ALA . 0.6 OUTLIER -81.71 -67.5 0.78 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.482 . . . . 72.310000000000002 110.904 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.474 HD11 HG22 ' A' ' 26' ' ' VAL . 2.5 mm? -63.27 -69.63 0.26 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 61.439999999999998 110.903 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 136.24 -5.59 3.91 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.778 -0.725 . . . . 74.099999999999994 112.477 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.657 ' O ' HG13 ' A' ' 33' ' ' VAL . . . -60.23 -169.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.751 0.31 . . . . 74.310000000000002 111.113 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -133.41 -78.43 0.48 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 54.340000000000003 110.884 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 43.2 t -133.19 -40.83 0.9 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 72.340000000000003 110.893 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.9 mt -51.17 -32.72 24.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.085 -0.507 . . . . 52.119999999999997 110.923 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -68.92 -58.33 4.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 72.25 110.916 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.688 ' O ' HG23 ' A' ' 47' ' ' VAL . 68.1 p -47.35 -52.51 16.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 64.25 111.146 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.2 p -62.83 -36.76 76.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 63.119999999999997 111.168 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.8 -56.1 23.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.134 -0.485 . . . . 61.130000000000003 110.932 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.794 HD12 ' CE2' ' A' ' 32' ' ' PHE . 9.6 mt -55.37 -46.74 76.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 61.149999999999999 110.895 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.688 HG23 ' O ' ' A' ' 43' ' ' THR . 81.9 t -51.49 -57.6 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 70.420000000000002 111.111 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.19 -45.53 65.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 63.219999999999999 110.939 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.75 -35.26 70.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 71.430000000000007 111.062 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.595 HD22 HG21 ' A' ' 76' ' ' VAL . 86.8 mt -72.5 -59.54 2.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 64.150000000000006 110.915 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.695 ' HB3' HD12 ' A' ' 58' ' ' ILE . 10.5 pt-20 -56.98 -20.53 24.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 62.539999999999999 110.897 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -87.3 -61.23 1.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 74.420000000000002 110.879 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -65.95 -61.73 1.89 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 63.329999999999998 110.896 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -66.77 -13.3 61.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 72.209999999999994 110.9 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.0 t70 63.84 34.24 12.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.122 -0.49 . . . . 73.239999999999995 110.829 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.5 HG22 ' HB3' ' A' ' 79' ' ' HIS . 2.3 p -90.73 176.36 6.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 73.430000000000007 111.114 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 67.8 mt-10 -118.07 86.5 2.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.453 . . . . 64.409999999999997 110.848 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.695 HD12 ' HB3' ' A' ' 51' ' ' GLU . 2.0 mp -109.65 84.25 3.12 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.671 0.748 . . . . 70.540000000000006 111.133 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.408 ' O ' ' HB2' ' A' ' 63' ' ' ALA . 53.0 Cg_endo -69.76 -170.16 0.37 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.741 2.294 . . . . 72.549999999999997 112.298 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -66.85 -47.94 70.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.448 . . . . 73.420000000000002 110.844 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -54.3 -46.64 72.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 71.299999999999997 110.892 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -78.08 -22.84 48.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 64.219999999999999 110.879 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.408 ' HB2' ' O ' ' A' ' 59' ' ' PRO . . . -65.97 -41.09 91.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 71.400000000000006 111.107 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.94 -22.4 48.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 60.130000000000003 110.88 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.8 mtpt -81.58 -31.71 32.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 71.230000000000004 110.917 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 45.6 mm -84.85 94.46 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 71.049999999999997 111.153 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 44.4 p -139.75 13.58 2.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 61.240000000000002 111.128 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.522 HG22 ' HA ' ' A' ' 31' ' ' SER . 40.2 p -151.79 155.08 37.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 54.539999999999999 111.161 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.587 HG21 ' O ' ' A' ' 27' ' ' LYS . 35.6 t -51.56 -59.89 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 55.229999999999997 111.167 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -51.59 -45.07 63.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 73.040000000000006 110.922 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.35 -44.47 97.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 63.329999999999998 111.11 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.57 -59.45 3.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 70.340000000000003 111.108 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.488 HD12 HG21 ' A' ' 11' ' ' VAL . 6.0 tp -51.71 -30.95 12.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 51.039999999999999 111.112 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -70.73 -53.25 16.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 73.319999999999993 110.884 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -52.66 -55.55 21.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 74.430000000000007 110.912 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.595 HG21 HD22 ' A' ' 50' ' ' LEU . 44.3 t -58.13 -48.95 83.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 71.150000000000006 111.156 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.567 HD21 HD22 ' A' ' 4' ' ' LEU . 20.3 t-20 -58.55 -32.02 68.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 63.310000000000002 110.837 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 28.1 t -81.85 -28.24 33.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 73.019999999999996 110.866 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.5 ' HB3' HG22 ' A' ' 56' ' ' THR . 22.6 m80 -97.22 57.0 1.41 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 73.420000000000002 110.889 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 41.1 mm-40 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 74.319999999999993 110.943 -179.939 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.516 -0.234 . . . . 41.43 112.516 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.424 HG23 ' HD2' ' A' ' 3' ' ' PRO . 60.6 mt -64.69 133.04 95.59 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.597 0.713 . . . . 72.230000000000004 111.113 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.424 ' HD2' HG23 ' A' ' 2' ' ' ILE . 54.3 Cg_endo -69.68 177.32 5.63 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.686 2.257 . . . . 74.099999999999994 112.373 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -95.91 31.87 2.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 65.450000000000003 110.916 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.2 p -126.79 -45.33 1.61 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 73.299999999999997 110.83 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -52.92 -60.26 3.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 60.140000000000001 110.903 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.648 ' O ' HG22 ' A' ' 11' ' ' VAL . 9.2 mt -55.36 -40.42 57.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 75.140000000000001 111.143 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 75.7 tt0 -51.88 -55.84 17.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 64.109999999999999 110.886 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -65.75 -25.96 67.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 75.319999999999993 110.933 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.72 ' O ' HD12 ' A' ' 14' ' ' ILE . 6.4 mtp180 -72.04 -66.58 0.62 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 62.149999999999999 110.909 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.712 HG23 ' HD3' ' A' ' 12' ' ' LYS . 14.2 m -50.38 -42.69 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 74.010000000000005 111.108 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.712 ' HD3' HG23 ' A' ' 11' ' ' VAL . 1.1 mptp? -62.18 -51.19 68.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 74.129999999999995 110.891 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.5 ttmt -50.08 -46.27 53.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 74.340000000000003 110.852 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.72 HD12 ' O ' ' A' ' 10' ' ' ARG . 3.0 mt -61.54 -63.16 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 75.430000000000007 111.109 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.637 HD12 ' O ' ' A' ' 11' ' ' VAL . 5.7 mt -50.03 -31.6 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 70.319999999999993 111.146 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.713 HG13 ' O ' ' A' ' 21' ' ' VAL . 74.0 t -77.81 -36.04 21.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 64.150000000000006 111.143 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -75.52 -29.18 59.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 75.5 110.859 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -79.56 -53.68 6.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 75.430000000000007 110.94 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -73.08 -62.59 1.41 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 73.5 110.905 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 116.84 16.14 6.47 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.739 -0.743 . . . . 71.150000000000006 112.509 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.713 ' O ' HG13 ' A' ' 16' ' ' VAL . 24.5 m -97.2 175.04 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.838 0.351 . . . . 64.439999999999998 111.148 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -77.91 127.82 32.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.467 . . . . 75.329999999999998 110.886 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.545 ' HB3' HG21 ' A' ' 16' ' ' VAL . 12.4 pt-20 -51.9 -31.82 29.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 60.409999999999997 110.929 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.3 -39.82 91.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 51.539999999999999 111.126 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -61.66 -50.03 74.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 75.5 110.936 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.8 t -59.82 113.76 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 75.0 111.134 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.8 mtmm -112.06 168.33 9.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 74.129999999999995 110.891 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -68.48 -20.61 64.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 72.530000000000001 110.866 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -99.98 21.21 13.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 44.030000000000001 110.887 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.459 ' HB3' HG21 ' A' ' 69' ' ' VAL . . . -100.11 157.11 16.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 61.450000000000003 111.129 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.634 ' HA ' HG22 ' A' ' 68' ' ' THR . 22.7 t -102.71 173.98 6.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 73.209999999999994 110.846 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.443 ' CE2' HD12 ' A' ' 46' ' ' LEU . 3.5 m-30 -89.91 -27.45 19.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 74.140000000000001 110.908 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.614 HG13 ' O ' ' A' ' 38' ' ' ALA . 95.0 t -126.15 -45.11 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.13 -0.486 . . . . 64.209999999999994 111.137 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.97 -33.31 62.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 52.420000000000002 110.884 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -108.04 -66.43 1.04 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 72.040000000000006 110.903 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.501 HD13 ' O ' ' A' ' 31' ' ' SER . 7.5 mp -52.08 -54.21 33.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 75.099999999999994 110.908 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 112.15 15.13 10.1 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.736 -0.745 . . . . 31.23 112.483 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.614 ' O ' HG13 ' A' ' 33' ' ' VAL . . . -57.25 172.8 0.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.773 0.321 . . . . 52.149999999999999 111.111 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -136.28 -76.52 0.43 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 74.549999999999997 110.877 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.597 ' O ' HG22 ' A' ' 44' ' ' VAL . 1.3 m -138.63 -48.46 0.52 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 65.409999999999997 110.857 -179.78 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.1 mt -68.83 -32.84 72.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 74.010000000000005 110.909 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.427 ' HB2' ' HB1' ' A' ' 38' ' ' ALA . 5.7 m-20 -68.41 -52.71 29.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 63.439999999999998 110.8 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -57.48 -55.51 33.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 71.120000000000005 111.129 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.597 HG22 ' O ' ' A' ' 40' ' ' SER . 35.0 m -57.99 -35.56 52.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 63.329999999999998 111.126 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -61.22 -46.12 91.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 73.219999999999999 110.865 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.443 HD12 ' CE2' ' A' ' 32' ' ' PHE . 49.5 mt -62.57 -48.62 78.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 73.239999999999995 110.877 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.559 HG13 ' CG2' ' A' ' 58' ' ' ILE . 98.4 t -51.83 -49.01 38.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 64.019999999999996 111.126 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 31.7 mtp -60.59 -47.07 87.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 65.420000000000002 110.888 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.85 -33.74 62.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 65.430000000000007 111.155 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 80.1 mt -70.92 -54.64 10.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 73.349999999999994 110.893 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -65.55 -13.22 58.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 75.439999999999998 110.848 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -94.1 -51.97 4.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 75.439999999999998 110.929 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -76.66 -56.76 4.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 75.099999999999994 110.894 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -75.81 -6.09 49.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 54.140000000000001 110.866 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 53.81 27.6 7.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 61.329999999999998 110.87 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.1 t -87.08 169.86 12.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 51.420000000000002 111.167 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 48.3 mm-40 -105.19 112.44 25.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 75.120000000000005 110.887 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.559 ' CG2' HG13 ' A' ' 47' ' ' VAL . 61.2 mt -135.74 84.07 33.81 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.605 0.717 . . . . 71.409999999999997 111.092 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -173.53 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.688 2.259 . . . . 63.299999999999997 112.342 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -53.15 -50.7 64.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 61.109999999999999 110.844 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -52.38 -63.63 1.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 72.239999999999995 110.901 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -60.93 -18.33 56.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 73.530000000000001 110.931 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -81.77 -24.14 36.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 72.0 111.125 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -84.04 -26.32 29.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 62.100000000000001 110.933 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.5 pttp -83.95 -34.95 24.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.09 -0.505 . . . . 71.409999999999997 110.919 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.428 HD11 ' HB2' ' A' ' 75' ' ' TYR . 31.3 mm -77.09 88.87 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 63.109999999999999 111.143 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.488 ' O ' HG23 ' A' ' 68' ' ' THR . 63.4 p -136.6 30.0 2.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 74.230000000000004 111.135 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.634 HG22 ' HA ' ' A' ' 31' ' ' SER . 1.1 p -158.58 147.4 18.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 73.299999999999997 111.147 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.459 HG21 ' HB3' ' A' ' 30' ' ' ALA . 39.5 t -50.0 -60.32 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 61.399999999999999 111.096 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.7 tp60 -51.17 -42.06 60.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 64.230000000000004 110.931 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.2 -44.3 92.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.482 . . . . 62.020000000000003 111.097 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.5 -56.09 12.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 53.340000000000003 111.061 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 6.5 tp -54.53 -32.69 25.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 74.450000000000003 111.183 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -71.38 -49.21 44.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.486 . . . . 73.030000000000001 110.878 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.428 ' HB2' HD11 ' A' ' 66' ' ' ILE . 5.6 t80 -54.52 -57.93 9.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 72.319999999999993 110.881 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 67.7 t -57.84 -52.04 62.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 64.0 111.104 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -52.79 -30.84 35.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 73.099999999999994 110.865 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 38.6 m -84.5 -32.2 24.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 64.150000000000006 110.875 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 20.7 m80 -95.04 57.63 2.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 65.349999999999994 110.905 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 62.210000000000001 110.9 -179.903 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 N-CA-C 112.5 -0.24 . . . . 62.43 112.5 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.461 ' H ' HD12 ' A' ' 2' ' ' ILE . 1.5 mp -89.04 131.31 41.47 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.615 0.722 . . . . 63.32 111.077 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 0.31 5.85 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.659 2.239 . . . . 74.219999999999999 112.331 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.9 mt 67.23 16.33 10.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 75.329999999999998 110.945 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.9 t -116.28 -23.06 8.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 51.539999999999999 110.927 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -73.24 -50.96 19.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.089 -0.505 . . . . 53.530000000000001 110.873 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.657 ' O ' HG23 ' A' ' 11' ' ' VAL . 65.8 mt -54.09 -51.7 44.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 71.109999999999999 111.15 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -50.07 -44.47 51.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.482 . . . . 72.239999999999995 110.863 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -66.2 -53.61 35.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 53.340000000000003 110.857 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.725 ' O ' HD12 ' A' ' 14' ' ' ILE . 3.0 mmm-85 -54.64 -58.08 8.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 74.349999999999994 110.865 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 7' ' ' ILE . 40.4 t -49.53 -58.86 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 72.209999999999994 111.106 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.695 ' O ' HG23 ' A' ' 16' ' ' VAL . 0.1 OUTLIER -54.12 -42.75 69.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 71.010000000000005 110.884 179.894 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.8 ttpt -51.45 -52.02 49.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 63.119999999999997 110.905 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.725 HD12 ' O ' ' A' ' 10' ' ' ARG . 2.7 mp -59.08 -54.23 37.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 64.519999999999996 111.138 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.451 HD11 HG12 ' A' ' 11' ' ' VAL . 5.8 mt -52.19 -28.85 11.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 53.240000000000002 111.094 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 12' ' ' LYS . 88.6 t -78.35 -43.63 26.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 74.409999999999997 111.128 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -71.27 -24.38 62.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.452 . . . . 73.150000000000006 110.894 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -82.17 -53.6 5.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 71.409999999999997 110.878 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.65 HD11 ' CG ' ' A' ' 42' ' ' ASP . 8.3 mp -83.99 -63.69 1.3 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 73.209999999999994 110.904 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 128.23 -15.7 6.1 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.729 -0.748 . . . . 74.409999999999997 112.481 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.441 ' O ' HG13 ' A' ' 16' ' ' VAL . 29.1 m -68.14 -175.17 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.868 0.366 . . . . 71.040000000000006 111.081 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.653 ' O ' HG23 ' A' ' 26' ' ' VAL . 2.2 t70 -93.88 137.44 33.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 54.049999999999997 110.897 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -60.16 -32.81 71.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 70.299999999999997 110.922 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.1 -62.89 1.49 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 54.100000000000001 111.107 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -52.73 -29.21 25.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 73.409999999999997 110.914 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 22' ' ' ASP . 60.8 t -72.82 85.24 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 74.120000000000005 111.157 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 46.3 mtmt -60.48 170.0 1.54 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 64.439999999999998 110.904 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -86.51 -27.24 24.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 53.299999999999997 110.871 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -94.33 37.84 1.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 63.210000000000001 110.865 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -119.4 -178.27 3.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 55.100000000000001 111.13 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.632 ' O ' HD23 ' A' ' 36' ' ' LEU . 43.5 t -132.07 163.55 28.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 64.099999999999994 110.838 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.574 ' HB2' HG22 ' A' ' 43' ' ' THR . 10.4 m-85 -71.22 -36.7 71.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 73.310000000000002 110.891 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.541 HG13 ' O ' ' A' ' 38' ' ' ALA . 84.7 t -126.99 -40.24 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 65.430000000000007 111.15 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -52.86 -28.86 24.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 73.150000000000006 110.856 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -122.14 -62.31 1.4 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 71.239999999999995 110.919 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.632 HD23 ' O ' ' A' ' 31' ' ' SER . 3.1 mm? -51.62 -30.41 21.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 74.010000000000005 110.905 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 80.44 17.42 73.66 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.761 -0.733 . . . . 70.209999999999994 112.474 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.541 ' O ' HG13 ' A' ' 33' ' ' VAL . . . -70.91 -169.98 0.4 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.816 0.341 . . . . 62.049999999999997 111.078 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -108.01 162.68 13.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 70.530000000000001 110.873 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.93 -36.86 50.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 74.420000000000002 110.839 -179.745 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.497 HD13 ' O ' ' A' ' 41' ' ' LEU . 0.3 OUTLIER -51.78 -30.48 23.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 70.219999999999999 110.891 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.65 ' CG ' HD11 ' A' ' 19' ' ' LEU . 18.2 t0 -70.15 -58.17 4.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 74.230000000000004 110.888 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.713 ' O ' HG23 ' A' ' 47' ' ' VAL . 63.0 p -51.1 -36.23 39.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 73.439999999999998 111.13 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 73.3 t -68.96 -56.01 13.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 74.319999999999993 111.151 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -57.04 -31.21 64.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 70.219999999999999 110.9 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 82.5 mt -70.65 -47.21 61.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 75.109999999999999 110.903 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 43' ' ' THR . 87.0 t -57.52 -50.2 77.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 72.109999999999999 111.133 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 23.8 ptm -63.59 -36.34 83.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 63.109999999999999 110.897 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.72 -41.07 94.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 44.310000000000002 111.094 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 31.5 mt -68.49 -59.57 3.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 44.100000000000001 110.919 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -54.82 -23.82 20.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 72.230000000000004 110.867 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -85.14 -60.77 1.94 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 75.400000000000006 110.842 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -63.79 -62.66 1.51 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 64.040000000000006 110.859 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.405 ' CE1' HG11 ' A' ' 76' ' ' VAL . 12.7 m-85 -64.58 -15.56 61.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 72.109999999999999 110.877 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 61.89 45.91 7.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.499 . . . . 72.5 110.878 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 20.3 p -105.14 166.67 10.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 73.150000000000006 111.139 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 80.8 mt-10 -97.29 84.16 3.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.437 . . . . 72.030000000000001 110.904 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.636 HG21 HG13 ' A' ' 47' ' ' VAL . 51.0 mm -109.85 82.67 2.47 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.601 0.715 . . . . 71.120000000000005 111.166 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 176.59 6.6 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.672 2.248 . . . . 64.120000000000005 112.341 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -55.72 -42.71 75.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 73.040000000000006 110.9 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -56.29 -57.05 13.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 72.109999999999999 110.87 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -75.52 -5.21 44.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 72.439999999999998 110.885 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -84.73 -34.35 22.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 62.009999999999998 111.127 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 -70.84 -28.88 64.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 74.420000000000002 110.895 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.3 ptpt -82.68 -34.54 27.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 72.209999999999994 110.878 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 46.7 mm -91.81 80.75 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 73.049999999999997 111.101 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 55.3 p -126.49 19.04 7.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 51.439999999999998 111.165 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.583 HG22 ' OG ' ' A' ' 31' ' ' SER . 19.3 p -140.39 158.86 43.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 52.420000000000002 111.14 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 27.6 t -54.89 -61.02 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 70.140000000000001 111.145 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -51.77 -41.46 61.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 73.319999999999993 110.921 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.23 -46.33 87.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 70.540000000000006 111.084 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.08 -57.69 7.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 50.539999999999999 111.078 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 1.7 tp -53.39 -32.64 20.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 74.510000000000005 111.136 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -69.7 -50.8 40.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 73.209999999999994 110.871 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -53.83 -59.87 4.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 63.5 110.93 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.405 HG11 ' CE1' ' A' ' 54' ' ' PHE . 29.0 t -55.11 -48.98 75.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.093 -0.503 . . . . 72.519999999999996 111.096 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -60.23 -26.14 66.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 74.010000000000005 110.858 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.1 p -86.45 -27.97 23.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 72.299999999999997 110.85 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 13.6 m80 -98.38 62.48 1.47 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 53.109999999999999 110.89 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 73.319999999999993 110.91 -179.922 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.453 -0.259 . . . . 72.239999999999995 112.453 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.436 HG23 ' HD2' ' A' ' 3' ' ' PRO . 50.5 mm -81.88 133.2 52.24 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.632 0.73 . . . . 72.549999999999997 111.111 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.436 ' HD2' HG23 ' A' ' 2' ' ' ILE . 53.4 Cg_endo -69.86 173.34 11.2 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.676 2.251 . . . . 60.439999999999998 112.329 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.478 ' H ' HD12 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -91.91 46.19 1.26 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 64.329999999999998 110.922 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.9 m -139.21 -42.73 0.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 63.119999999999997 110.876 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -60.67 -55.9 27.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 75.010000000000005 110.882 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.426 ' O ' HG23 ' A' ' 11' ' ' VAL . 7.5 mt -53.75 -42.4 51.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 73.150000000000006 111.131 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -52.02 -54.87 24.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 71.349999999999994 110.909 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.8 tp10 -63.27 -36.11 82.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 73.140000000000001 110.871 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.601 ' O ' HD12 ' A' ' 14' ' ' ILE . 1.4 tpp180 -64.52 -65.3 0.69 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.148 -0.478 . . . . 74.010000000000005 110.844 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.827 HG21 HD12 ' A' ' 73' ' ' ILE . 43.8 t -48.9 -46.65 16.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 63.32 111.131 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.594 ' O ' HG23 ' A' ' 16' ' ' VAL . 4.5 mptt -59.63 -42.41 92.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 74.230000000000004 110.928 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 30.4 ttmt -56.04 -48.56 75.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 64.140000000000001 110.888 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.601 HD12 ' O ' ' A' ' 10' ' ' ARG . 3.1 mp -60.36 -49.78 82.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 60.310000000000002 111.102 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.992 HG23 HD12 ' A' ' 19' ' ' LEU . 13.1 mt -60.71 -36.53 71.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 75.099999999999994 111.122 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 12' ' ' LYS . 99.0 t -78.23 -22.73 13.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 63.409999999999997 111.146 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -91.83 -14.03 30.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 71.239999999999995 110.904 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.728 ' OE1' HD23 ' A' ' 46' ' ' LEU . 2.3 mt-30 -112.21 -64.71 1.26 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 74.329999999999998 110.89 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.992 HD12 HG23 ' A' ' 15' ' ' ILE . 42.2 mt -67.35 -36.32 81.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 73.329999999999998 110.895 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.43 -26.93 22.69 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.702 -0.761 . . . . 74.450000000000003 112.498 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.529 ' O ' HG22 ' A' ' 16' ' ' VAL . 28.4 m -51.2 162.2 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.819 0.342 . . . . 72.329999999999998 111.131 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -85.06 145.62 27.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 74.310000000000002 110.895 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.458 ' O ' HG12 ' A' ' 26' ' ' VAL . 8.3 pt-20 -61.24 -19.04 61.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 64.019999999999996 110.86 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.51 -53.45 4.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 74.099999999999994 111.115 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -58.12 -39.63 79.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 74.510000000000005 110.872 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.458 HG12 ' O ' ' A' ' 23' ' ' GLU . 9.5 p -51.68 141.29 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 74.310000000000002 111.178 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 45.5 mttm -118.63 127.38 53.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 64.420000000000002 110.848 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -62.48 -22.31 66.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 73.099999999999994 110.883 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -94.87 27.24 3.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 70.420000000000002 110.892 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -119.19 -178.75 3.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 64.200000000000003 111.048 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.778 ' HB3' HG22 ' A' ' 68' ' ' THR . 0.8 OUTLIER -122.24 -170.11 2.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 72.109999999999999 110.911 -179.837 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.575 ' HD2' HG22 ' A' ' 43' ' ' THR . 9.8 m-85 -100.82 -44.49 5.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 73.420000000000002 110.887 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.622 HG12 ' O ' ' A' ' 38' ' ' ALA . 9.1 m -119.23 -33.13 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 73.319999999999993 111.108 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -64.39 -24.87 67.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 72.109999999999999 110.883 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -122.84 -65.61 1.09 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 44.009999999999998 110.857 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.751 HD23 ' O ' ' A' ' 31' ' ' SER . 4.0 mm? -56.92 -24.9 55.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 43.140000000000001 110.886 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 72.33 25.01 75.42 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.718 -0.753 . . . . 13.34 112.524 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.622 ' O ' HG12 ' A' ' 33' ' ' VAL . . . -66.38 -170.96 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.78 0.324 . . . . 70.120000000000005 111.09 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -107.44 165.46 11.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.192 -0.458 . . . . 71.040000000000006 110.868 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 51.0 m -52.0 -41.25 62.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 53.420000000000002 110.838 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.7 tp -56.66 -33.6 66.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.187 -0.461 . . . . 74.099999999999994 110.9 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.453 ' CG ' ' HB1' ' A' ' 38' ' ' ALA . 1.8 m-20 -64.87 -56.94 10.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 74.420000000000002 110.85 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.575 HG22 ' HD2' ' A' ' 32' ' ' PHE . 7.8 p -52.5 -55.5 21.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 75.400000000000006 111.166 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.7 m -57.57 -34.33 46.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 63.219999999999999 111.066 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -61.21 -48.19 82.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 75.540000000000006 110.856 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.728 HD23 ' OE1' ' A' ' 18' ' ' GLN . 42.2 mt -63.07 -45.61 91.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 70.019999999999996 110.899 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 43' ' ' THR . 60.9 t -53.01 -50.79 43.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 71.140000000000001 111.138 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -47.54 85.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 53.009999999999998 110.851 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.474 ' HB1' HG12 ' A' ' 14' ' ' ILE . . . -54.99 -34.07 63.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 61.25 111.1 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.727 HD22 HG11 ' A' ' 76' ' ' VAL . 80.6 mt -70.65 -51.74 25.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 74.409999999999997 110.922 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -70.64 -10.33 59.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 64.140000000000001 110.905 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -96.73 -46.13 6.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.462 . . . . 73.140000000000001 110.889 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -85.77 -55.57 3.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 75.019999999999996 110.904 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -79.64 -2.91 44.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 71.030000000000001 110.918 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 50.99 34.17 10.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.088 -0.506 . . . . 73.150000000000006 110.847 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.804 HG21 HG12 ' A' ' 76' ' ' VAL . 3.7 p -69.6 -17.79 63.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 73.239999999999995 111.165 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 54.64 24.91 5.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 63.420000000000002 110.896 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.434 HD11 ' CD1' ' A' ' 75' ' ' TYR . 36.2 mm -44.26 104.15 0.37 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.625 0.726 . . . . 62.509999999999998 111.125 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -169.32 0.32 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.724 2.282 . . . . 74.239999999999995 112.31 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -68.48 -53.44 23.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 73.0 110.883 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -51.76 -47.9 63.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 61.140000000000001 110.863 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -70.79 -37.81 73.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 61.310000000000002 110.919 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -52.15 -45.59 65.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.102 -0.499 . . . . 63.130000000000003 111.113 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -56.73 -24.92 53.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 73.439999999999998 110.88 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.0 mtpp -79.97 -45.65 18.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 73.129999999999995 110.883 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.79 HD12 ' HA ' ' A' ' 72' ' ' ALA . 47.2 mm -72.94 77.58 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 72.129999999999995 111.147 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 26.1 p -110.03 -15.78 13.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 54.119999999999997 111.15 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.778 HG22 ' HB3' ' A' ' 31' ' ' SER . 47.7 p -122.5 -176.55 3.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.241 -0.436 . . . . 73.420000000000002 111.13 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.42 ' O ' HG22 ' A' ' 73' ' ' ILE . 62.1 t -78.68 -57.89 4.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 53.119999999999997 111.128 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -50.25 -38.78 42.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 73.430000000000007 110.908 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.31 -51.09 62.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 71.299999999999997 111.06 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.79 ' HA ' HD12 ' A' ' 66' ' ' ILE . . . -61.9 -57.91 9.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 53.299999999999997 111.12 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.827 HD12 HG21 ' A' ' 11' ' ' VAL . 1.2 tp -52.86 -35.77 22.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 44.439999999999998 111.107 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -67.87 -39.3 83.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.481 . . . . 63.399999999999999 110.87 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.434 ' CD1' HD11 ' A' ' 58' ' ' ILE . 2.0 t80 -65.18 -65.19 0.7 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 74.230000000000004 110.905 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.804 HG12 HG21 ' A' ' 56' ' ' THR . 17.4 m -51.03 -42.45 24.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 72.530000000000001 111.147 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.416 ' N ' HG23 ' A' ' 76' ' ' VAL . 27.1 t-20 -62.63 -39.72 94.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 73.349999999999994 110.92 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 17.6 t -75.3 -25.84 58.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 63.310000000000002 110.87 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 14.3 m80 -105.91 61.75 0.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 70.040000000000006 110.876 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 75.200000000000003 110.9 -179.938 . . . . . . . . 0 0 . 1 stop_ save_