data_2yum_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 2yum _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.474 ' CH2' ' HG3' ' A' ' 46' ' ' ARG . 7.8 m95 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.788 0.328 . . . . 0.0 110.947 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 13' ' ' VAL . 6.2 t -120.25 142.15 49.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.132 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.445 ' C ' ' O ' ' A' ' 12' ' ' THR . 8.1 p -34.5 -46.28 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.183 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.443 ' N ' HG13 ' A' ' 13' ' ' VAL . 40.2 mt-10 -50.31 -54.47 21.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.43 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 66.3 mt-10 -71.17 -52.29 20.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 15' ' ' GLU . 77.2 mt-30 -36.4 -59.95 0.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.0 ptpt -59.75 -41.46 91.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.9 tttp -55.87 -59.45 4.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.418 HD21 ' CE2' ' A' ' 58' ' ' TYR . 37.1 tp -49.71 -59.03 4.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 19' ' ' LEU . 11.5 mt-10 -36.87 -48.62 0.76 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -66.07 -59.16 4.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.952 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 69.8 mt -45.82 -38.07 6.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 59.1 mt -52.65 -46.43 67.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 75.1 mt -66.28 -48.77 79.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.157 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.1 tttt -59.65 -34.98 73.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.568 ' CE1' ' HB3' ' A' ' 38' ' ' LYS . 50.6 m-85 -104.61 93.11 5.6 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.66 0.743 . . . . 0.0 110.925 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 170.0 17.59 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.634 2.223 . . . . 0.0 112.361 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 163.51 37.97 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.679 2.253 . . . . 0.0 112.381 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.454 ' N ' ' OE2' ' A' ' 29' ' ' GLU . 1.1 pm0 -157.54 178.51 10.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.932 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.467 ' HG3' ' N ' ' A' ' 31' ' ' VAL . 11.1 pt-20 -55.24 -46.33 76.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.467 ' N ' ' HG3' ' A' ' 30' ' ' GLU . 95.3 t -102.47 118.56 49.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.169 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.534 ' HG2' ' CZ2' ' A' ' 36' ' ' TRP . 10.8 tt0 -76.45 -27.42 56.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 25.2 m -62.87 -56.91 13.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.834 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.424 ' HG3' ' N ' ' A' ' 35' ' ' ARG . 6.7 ptm180 -54.26 -34.25 60.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.509 ' NE ' ' CZ3' ' A' ' 36' ' ' TRP . 39.3 ttt180 -58.97 -55.52 34.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.534 ' CZ2' ' HG2' ' A' ' 32' ' ' GLU . 11.1 m95 -58.52 -38.64 78.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.9 tp60 -54.98 -42.44 72.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.874 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.568 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 47.2 mtmt -62.77 -56.74 14.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.873 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 39.8 mt -54.2 -53.88 25.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.149 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.72 -48.05 40.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.062 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -49.26 -43.81 43.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.83 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -64.46 -48.52 74.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 28.7 mt -53.76 -46.3 70.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.949 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 85.2 -42.02 3.11 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.488 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -86.83 -50.12 6.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.864 0.364 . . . . 0.0 110.925 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.474 ' HG3' ' CH2' ' A' ' 11' ' ' TRP . 31.0 mmt-85 -75.29 167.41 21.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 48' ' ' ALA . 65.4 p -127.89 158.02 38.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.165 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 47' ' ' THR . . . -36.22 -55.98 0.77 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.053 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.8 mmtt -55.98 -66.13 0.48 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 40.0 mm-40 -41.11 -41.07 1.66 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 98.4 t -70.39 -40.86 78.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.178 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.49 -54.74 42.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.081 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 75.6 m -56.12 -45.06 79.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.458 ' HG3' ' CE1' ' A' ' 58' ' ' TYR . 10.7 tp60 -55.63 -46.74 77.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.941 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 97.6 t -53.26 -40.77 40.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.142 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.417 ' OE1' ' CD1' ' A' ' 60' ' ' ILE . 16.0 mm-40 -54.6 -50.27 68.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 29.0 mttm -83.23 20.45 1.28 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.458 ' CE1' ' HG3' ' A' ' 54' ' ' GLN . 2.7 m-85 -118.3 -37.4 3.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.404 ' CD1' ' N ' ' A' ' 59' ' ' PHE . 2.2 m-85 -105.09 -43.06 5.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.851 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.417 ' CD1' ' OE1' ' A' ' 56' ' ' GLN . 57.1 mt . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.567 ' CH2' ' HG3' ' A' ' 46' ' ' ARG . 21.1 m95 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.851 0.358 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.2 t -78.04 165.48 23.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.139 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.4 p -59.3 -37.6 70.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.115 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.414 ' HA ' ' CE ' ' A' ' 17' ' ' LYS . 46.0 mt-10 -63.54 -39.76 95.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -75.73 -49.73 17.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -47.84 -48.72 30.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.414 ' CE ' ' HA ' ' A' ' 14' ' ' GLU . 3.9 pttp -67.77 -49.87 60.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.466 ' CE ' ' HA ' ' A' ' 43' ' ' LEU . 4.8 ttpp -54.3 -63.68 1.07 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.543 HD21 ' CE2' ' A' ' 58' ' ' TYR . 25.8 tp -35.76 -53.45 0.72 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.935 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 -46.85 -51.58 16.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -61.04 -42.37 98.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 23' ' ' LEU . 10.6 mt -60.78 -57.17 13.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 22' ' ' LEU . 23.5 mt -34.43 -53.43 0.51 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 18.8 mt -66.07 -47.76 83.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.126 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.6 ttmt -46.09 -55.53 6.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -87.28 122.3 70.92 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.652 0.739 . . . . 0.0 110.939 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 151.37 68.95 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.682 2.254 . . . . 0.0 112.354 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 161.34 46.31 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.736 2.291 . . . . 0.0 112.308 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -162.87 158.77 22.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -46.17 -49.0 17.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 56.3 t -88.93 105.04 15.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.13 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.511 ' HB2' ' CE2' ' A' ' 36' ' ' TRP . 25.3 pm0 -79.66 -31.0 41.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.891 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.437 ' N ' ' HG2' ' A' ' 32' ' ' GLU . 12.4 p -51.99 -43.44 63.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 -179.777 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -74.43 -33.78 63.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 50.0 ttt180 -62.2 -48.44 80.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.511 ' CE2' ' HB2' ' A' ' 32' ' ' GLU . 9.3 m95 -59.74 -45.9 90.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 30.3 tp60 -47.33 -48.23 25.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.952 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 47.9 mttm -59.01 -49.96 75.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 49.7 mt -58.46 -53.59 44.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.163 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -46.11 -51.43 13.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.078 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -40.26 -51.28 2.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -59.46 -56.62 19.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.466 ' HA ' ' CE ' ' A' ' 18' ' ' LYS . 10.2 mt -49.2 -60.67 2.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 94.38 -37.76 3.32 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.474 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -83.58 -51.27 7.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.78 0.324 . . . . 0.0 110.888 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.567 ' HG3' ' CH2' ' A' ' 11' ' ' TRP . 14.0 mmp_? -84.63 158.99 20.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 48' ' ' ALA . 59.6 p -118.29 162.8 17.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 47' ' ' THR . . . -36.57 -59.1 0.69 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.126 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.402 ' O ' ' N ' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -54.46 -68.41 0.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -42.25 -34.03 0.71 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 97.0 t -71.99 -39.76 66.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.113 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 49' ' ' LYS . . . -54.69 -50.32 68.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 14.7 m -59.29 -42.5 91.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -58.76 -49.83 76.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.918 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 94.6 t -50.96 -34.21 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.14 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.2 mm100 -61.5 -46.02 91.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -84.11 24.63 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.543 ' CE2' HD21 ' A' ' 19' ' ' LEU . 3.1 m-85 -122.63 -35.63 3.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.954 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.401 ' CD1' ' N ' ' A' ' 59' ' ' PHE . 2.4 m-85 -108.63 -44.91 3.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.901 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 77.3 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.108 179.966 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.544 ' CH2' ' HG3' ' A' ' 46' ' ' ARG . 30.0 m95 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.826 0.346 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.2 t -110.51 154.0 24.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.144 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.2 p -38.36 -45.39 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.152 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -57.43 -49.58 75.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -67.01 -55.55 13.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -37.77 -58.01 0.94 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.25 -42.35 99.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.5 tttt -53.36 -58.55 6.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.907 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 17.5 tp -50.7 -45.79 58.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.433 ' O ' ' CD1' ' A' ' 24' ' ' ILE . 29.4 mm-40 -52.71 -54.91 27.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.853 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -59.4 -54.85 41.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.2 mt -47.97 -49.42 30.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 23.3 mt -40.88 -50.94 3.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.944 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.433 ' CD1' ' O ' ' A' ' 20' ' ' GLU . 5.3 mp -71.17 -45.93 68.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -44.48 -45.15 9.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -98.85 124.53 45.46 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.653 0.739 . . . . 0.0 110.941 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 154.5 67.61 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.66 2.24 . . . . 0.0 112.337 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 154.64 67.58 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.673 2.248 . . . . 0.0 112.35 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -151.21 162.19 41.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -55.31 -48.4 74.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 63.7 t -89.06 84.66 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.091 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.493 ' HB2' ' CE2' ' A' ' 36' ' ' TRP . 1.7 pm0 -53.33 -34.46 57.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.438 ' N ' ' HG2' ' A' ' 32' ' ' GLU . 14.5 t -42.51 -54.77 3.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.8 mtp180 -58.25 -57.02 14.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.882 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 64.4 ttt180 -40.72 -46.88 2.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.493 ' CE2' ' HB2' ' A' ' 32' ' ' GLU . 8.3 m95 -65.66 -43.73 88.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -54.62 -44.4 73.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 72.0 mttt -63.45 -55.62 22.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 34.5 mt -55.0 -53.39 34.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.073 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.426 ' HB2' ' CA ' ' A' ' 47' ' ' THR . . . -51.13 -50.24 59.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.111 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -42.58 -58.13 2.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.857 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -47.32 -55.88 7.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.431 ' CD1' ' HB2' ' A' ' 46' ' ' ARG . 67.7 mt -47.45 -46.49 26.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 89.17 -43.77 3.07 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.495 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -86.35 -44.88 11.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.866 0.365 . . . . 0.0 110.921 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.544 ' HG3' ' CH2' ' A' ' 11' ' ' TRP . 2.8 mmp_? -74.94 173.58 10.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.441 ' O ' ' C ' ' A' ' 48' ' ' ALA . 58.4 p -142.94 157.41 44.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.109 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 47' ' ' THR . . . -34.09 -52.93 0.47 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.114 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.409 ' O ' ' N ' ' A' ' 52' ' ' ALA . 8.9 mmtp -58.85 -70.04 0.17 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.873 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 54.3 mm-40 -40.04 -35.92 0.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.963 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 86.6 t -72.68 -42.99 62.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.158 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 49' ' ' LYS . . . -57.01 -49.44 75.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.108 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 74.0 m -65.05 -28.9 69.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.441 ' O ' ' CD1' ' A' ' 58' ' ' TYR . 14.3 tp60 -77.29 -39.72 47.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.945 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.415 HG13 ' CH2' ' A' ' 36' ' ' TRP . 81.5 t -70.28 -46.88 69.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.474 ' HG3' ' N ' ' A' ' 57' ' ' LYS . 11.4 pt20 -52.55 -36.67 56.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.474 ' N ' ' HG3' ' A' ' 56' ' ' GLN . 75.1 mttt -91.49 21.74 4.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.441 ' CD1' ' O ' ' A' ' 54' ' ' GLN . 2.6 m-85 -119.79 -37.43 3.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.427 ' CD1' ' N ' ' A' ' 59' ' ' PHE . 1.9 m-85 -103.26 -38.32 7.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.86 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 28.3 mt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.136 179.997 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.516 ' CE2' ' HD2' ' A' ' 46' ' ' ARG . 10.7 m0 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.865 0.364 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 13' ' ' VAL . 6.1 t -118.32 148.26 42.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.136 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.443 ' C ' ' O ' ' A' ' 12' ' ' THR . 78.1 t -33.86 -49.27 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.145 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -53.13 -61.46 2.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.938 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.58 -41.48 77.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -49.01 -66.39 0.41 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -59.53 -40.63 87.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 50.3 tttp -54.97 -43.27 73.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.625 ' CD2' ' CE2' ' A' ' 58' ' ' TYR . 25.5 tp -64.25 -60.1 3.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 19' ' ' LEU . 25.5 mt-10 -36.51 -44.18 0.43 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.872 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 -64.69 -59.69 3.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.988 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.8 mt -44.31 -49.91 9.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.9 mt -38.69 -47.96 1.42 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 18.9 mt -66.73 -53.14 37.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.152 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.2 ttmt -49.84 -41.11 44.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.415 ' HA ' ' HD2' ' A' ' 27' ' ' PRO . 62.8 m-85 -100.69 99.6 10.53 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.657 0.741 . . . . 0.0 110.934 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 26' ' ' TYR . 54.0 Cg_endo -69.8 170.04 17.56 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.662 2.241 . . . . 0.0 112.355 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 167.12 25.37 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.676 2.251 . . . . 0.0 112.344 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.542 ' N ' ' CD ' ' A' ' 29' ' ' GLU . 0.8 OUTLIER -156.4 -179.04 7.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.838 -179.925 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -63.78 -41.78 97.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 44.5 t -98.18 114.22 35.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.125 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.488 ' O ' ' NE1' ' A' ' 36' ' ' TRP . 6.4 tp10 -82.31 39.31 0.58 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 27.6 t -128.36 -55.11 1.26 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 -55.07 -31.72 61.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.858 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.429 ' HB2' ' CD ' ' A' ' 29' ' ' GLU . 65.0 ttt180 -61.44 -43.58 98.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.53 ' CZ3' HG23 ' A' ' 55' ' ' VAL . 12.2 m95 -68.42 -42.94 78.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.939 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 21.7 tp60 -55.09 -52.77 62.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.907 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 33.5 mtmt -54.34 -55.77 25.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 39.8 mt -54.63 -47.07 73.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.129 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.4 ' HB3' ' CA ' ' A' ' 47' ' ' THR . . . -49.99 -54.0 22.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.086 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -51.22 -43.79 61.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.868 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -63.84 -45.47 89.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.436 ' CD1' HG23 ' A' ' 51' ' ' VAL . 32.5 mt -51.32 -38.75 54.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.945 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 124.34 -80.53 0.36 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.51 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -99.9 -33.48 10.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.827 0.346 . . . . 0.0 110.896 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.516 ' HD2' ' CE2' ' A' ' 11' ' ' TRP . 15.4 mmp_? -49.88 145.63 5.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.427 ' O ' ' C ' ' A' ' 48' ' ' ALA . 19.7 p -115.35 161.27 18.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 47' ' ' THR . . . -35.12 -53.31 0.6 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.112 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 50' ' ' GLN . 8.9 mmtp -56.97 -70.0 0.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' A' ' 49' ' ' LYS . 92.0 mm-40 -37.04 -38.18 0.18 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.901 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.436 HG23 ' CD1' ' A' ' 43' ' ' LEU . 67.8 t -74.04 -47.97 40.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.67 -44.18 85.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 t -72.43 -11.88 60.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 10.0 tp60 -90.41 -28.89 18.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.907 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.53 HG23 ' CZ3' ' A' ' 36' ' ' TRP . 90.9 t -74.81 -45.73 43.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.168 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.47 ' HG3' ' N ' ' A' ' 57' ' ' LYS . 18.1 pt20 -41.95 -46.42 4.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.949 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.47 ' N ' ' HG3' ' A' ' 56' ' ' GLN . 55.7 mttt -75.82 -48.63 20.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.625 ' CE2' ' CD2' ' A' ' 19' ' ' LEU . 3.6 m-30 -41.28 -24.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.446 ' N ' ' O ' ' A' ' 57' ' ' LYS . 1.9 m-85 -116.09 -39.26 3.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.831 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.463 ' CG1' ' O ' ' A' ' 56' ' ' GLN . 30.1 mt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.155 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.568 ' CH2' ' HG3' ' A' ' 46' ' ' ARG . 7.0 m95 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.841 0.353 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.2 t -100.96 148.62 24.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.127 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 97.1 t -41.55 -53.66 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.166 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -42.09 -36.09 1.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.85 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 18' ' ' LYS . 39.7 mt-10 -91.26 -54.26 4.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -46.66 -29.28 1.78 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.951 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.6 ptmt -86.04 -25.87 25.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 15' ' ' GLU . 26.7 tttp -79.23 -47.83 15.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.468 HD21 ' CE2' ' A' ' 58' ' ' TYR . 31.8 tp -56.26 -57.54 11.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.937 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -43.35 -38.16 2.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -76.68 -55.23 5.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 23.1 mt -50.03 -33.08 17.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 28.9 mt -55.03 -42.8 73.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 22.9 mt -72.14 -50.12 38.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.476 ' HD2' ' CE2' ' A' ' 26' ' ' TYR . 2.9 tmtm? -55.27 -41.21 71.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.56 ' CE1' ' HB3' ' A' ' 38' ' ' LYS . 53.4 m-85 -104.91 92.23 5.05 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.677 0.751 . . . . 0.0 110.954 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 169.51 18.8 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.661 2.24 . . . . 0.0 112.368 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 162.23 42.89 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.685 2.257 . . . . 0.0 112.316 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -154.85 -177.08 6.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -59.99 -47.31 86.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.899 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 83.2 t -102.35 100.04 9.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.124 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.422 ' HG2' ' N ' ' A' ' 33' ' ' SER . 0.7 OUTLIER -60.67 -35.54 76.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.422 ' N ' ' HG2' ' A' ' 32' ' ' GLU . 6.9 p -44.37 -48.24 9.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.84 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.3 mtp180 -66.69 -46.44 75.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.859 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 45.4 ttt180 -45.74 -46.63 15.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 16.1 m95 -72.35 -28.04 62.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -70.49 -49.51 47.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.91 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.56 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 65.9 mttt -54.68 -43.33 72.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 26.4 mt -67.64 -51.97 45.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.12 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.8 -53.72 18.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.128 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -42.32 -57.61 2.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -50.34 -50.38 51.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 26.6 mt -56.52 -46.5 80.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 80.98 -41.73 2.63 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.522 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -82.57 -45.31 14.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.807 0.337 . . . . 0.0 110.895 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.568 ' HG3' ' CH2' ' A' ' 11' ' ' TRP . 11.7 mmp_? -85.67 164.87 17.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 48' ' ' ALA . 10.4 p -125.43 157.61 36.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.168 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 47' ' ' THR . . . -36.29 -47.91 0.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.09 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.21 -64.76 0.8 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -46.04 -33.38 3.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.884 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 63.3 t -75.83 -39.35 38.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.167 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.7 -46.05 89.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.082 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 30.6 p -65.54 -45.42 83.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -56.62 -43.94 80.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 90.9 t -56.03 -38.44 53.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.133 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 34.2 mm-40 -56.94 -47.46 80.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.4 mtpp -84.72 16.78 3.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.468 ' CE2' HD21 ' A' ' 19' ' ' LEU . 2.9 m-30 -116.69 -13.45 10.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -132.28 -52.48 0.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 71.8 mt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.129 -179.991 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.566 ' CZ2' ' HD2' ' A' ' 46' ' ' ARG . 55.8 m95 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.805 0.336 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 13' ' ' VAL . 14.6 t -88.92 152.99 21.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.152 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.428 ' C ' ' O ' ' A' ' 12' ' ' THR . 9.3 p -35.71 -47.48 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.122 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -51.43 -52.43 46.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -69.45 -47.97 62.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -41.71 -53.35 3.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.468 ' HG3' ' N ' ' A' ' 18' ' ' LYS . 16.6 pttp -71.75 -35.26 70.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.468 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 1.2 tmtp? -59.1 -62.12 2.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.921 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.9 tp -47.62 -47.31 28.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.939 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -49.72 -48.73 49.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -62.73 -41.53 99.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.462 HD12 ' CD ' ' A' ' 18' ' ' LYS . 22.9 mt -62.44 -51.17 68.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 56.5 mt -38.64 -52.56 1.65 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 29.2 mt -61.49 -46.97 95.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.106 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.4 tttt -56.29 -43.25 78.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.56 ' CE1' ' HB3' ' A' ' 38' ' ' LYS . 60.2 m-85 -105.51 93.22 6.77 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.677 0.751 . . . . 0.0 110.895 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 170.04 17.6 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.633 2.222 . . . . 0.0 112.333 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 113.89 3.53 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.657 2.238 . . . . 0.0 112.342 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -104.61 163.45 12.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.423 ' HG3' ' N ' ' A' ' 31' ' ' VAL . 10.0 pt-20 -38.22 -44.23 0.84 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.423 ' N ' ' HG3' ' A' ' 30' ' ' GLU . 27.3 t -104.09 94.95 3.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.11 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.483 ' HG2' ' CE2' ' A' ' 36' ' ' TRP . 17.5 tt0 -49.8 -45.29 49.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 43.6 t -46.58 -51.01 16.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 47.4 mtt-85 -55.43 -49.29 72.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.888 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 48.1 ttt180 -45.94 -52.63 11.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.483 ' CE2' ' HG2' ' A' ' 32' ' ' GLU . 12.4 m95 -59.1 -46.2 88.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -51.17 -46.27 62.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.917 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.56 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 38.9 mttm -60.59 -46.84 88.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 73.4 mt -59.77 -56.47 17.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.167 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 41' ' ' ASP . . . -52.24 -58.0 7.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.126 179.771 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 40' ' ' ALA . 10.5 t0 -35.38 -54.95 0.66 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -56.74 -49.53 74.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.4 mt -56.54 -44.07 80.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.56 -42.12 2.39 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.452 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 40.0 t-20 -78.52 -47.04 18.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.784 0.326 . . . . 0.0 110.878 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.566 ' HD2' ' CZ2' ' A' ' 11' ' ' TRP . 7.2 mmt-85 -85.44 169.02 14.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 48' ' ' ALA . 58.6 p -125.93 157.53 37.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 47' ' ' THR . . . -37.27 -55.48 1.01 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 52' ' ' ALA . 8.4 mmtp -56.41 -66.95 0.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.932 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 41.8 mm-40 -39.22 -39.88 0.67 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 97.2 t -68.91 -42.15 82.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 49' ' ' LYS . . . -57.19 -50.88 71.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.146 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 18.1 m -57.76 -47.55 82.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.532 ' HG3' ' CE1' ' A' ' 58' ' ' TYR . 7.4 tp60 -55.83 -40.16 72.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 94.9 t -56.17 -45.44 80.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.142 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -48.07 -50.92 26.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.11 24.2 0.96 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.532 ' CE1' ' HG3' ' A' ' 54' ' ' GLN . 3.6 m-85 -124.72 -35.06 2.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.92 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.419 ' CD1' ' N ' ' A' ' 59' ' ' PHE . 2.1 m-85 -109.63 -50.3 3.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.906 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 69.4 mt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.136 179.967 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.561 ' CD1' ' NE2' ' A' ' 54' ' ' GLN . 11.1 m95 . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.884 0.373 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.405 ' O ' ' N ' ' A' ' 15' ' ' GLU . 12.3 t -105.19 149.13 26.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.193 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.455 HG13 ' N ' ' A' ' 14' ' ' GLU . 7.7 p -38.63 -44.58 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.142 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.455 ' N ' HG13 ' A' ' 13' ' ' VAL . 15.7 mt-10 -52.36 -42.94 64.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.473 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 48.1 mt-10 -81.83 -36.09 28.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.904 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -48.03 -65.06 0.63 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.1 pttt -51.9 -44.29 63.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.449 ' CD ' HD21 ' A' ' 43' ' ' LEU . 0.2 OUTLIER -56.79 -67.11 0.34 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.905 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.559 HD23 ' CE2' ' A' ' 58' ' ' TYR . 40.8 tp -45.72 -54.63 7.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -48.96 -53.29 20.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -61.41 -61.44 2.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.931 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 87.8 mt -46.29 -40.19 11.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 27.0 mt -53.82 -48.24 70.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 43.6 mt -69.76 -42.24 80.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 43.6 tttp -64.31 -31.61 72.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.466 ' CE1' ' HB3' ' A' ' 38' ' ' LYS . 39.3 m-85 -102.06 97.65 8.74 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.685 0.755 . . . . 0.0 110.919 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 26' ' ' TYR . 53.7 Cg_endo -69.77 170.08 17.42 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.674 2.249 . . . . 0.0 112.386 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 164.47 34.39 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.725 2.283 . . . . 0.0 112.353 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.437 ' CD ' ' N ' ' A' ' 29' ' ' GLU . 1.5 pm0 -154.55 -175.36 5.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -60.24 -50.65 72.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.1 t -98.02 134.56 35.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.116 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.59 ' O ' ' CD1' ' A' ' 36' ' ' TRP . 37.0 tt0 -89.34 -1.05 57.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.7 t -96.7 -27.19 14.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.842 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.466 ' HD2' ' N ' ' A' ' 34' ' ' ARG . 0.6 OUTLIER -77.68 -26.06 49.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.889 -179.944 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.421 ' HB2' ' CD ' ' A' ' 29' ' ' GLU . 67.7 ttt180 -69.12 -44.84 71.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.59 ' CD1' ' O ' ' A' ' 32' ' ' GLU . 12.4 m95 -67.06 -42.6 84.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.916 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -50.97 -40.31 57.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.94 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.466 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 38.5 mttm -69.89 -59.55 2.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 67.9 mt -47.36 -43.65 8.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.093 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.25 -49.41 77.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.087 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -45.62 -47.13 14.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -59.03 -45.66 90.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.449 HD21 ' CD ' ' A' ' 18' ' ' LYS . 9.7 mt -60.56 -58.05 10.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 98.81 -38.97 2.89 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.525 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -93.35 -45.09 7.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.803 0.335 . . . . 0.0 110.896 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 77.3 mmt-85 -77.09 167.02 22.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 40.5 p -129.3 163.47 25.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.13 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -39.11 -51.32 1.89 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.485 ' O ' ' N ' ' A' ' 52' ' ' ALA . 10.8 mmmt -61.08 -71.28 0.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -38.46 -29.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 49' ' ' LYS . 91.3 t -78.64 -42.25 25.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.155 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.485 ' N ' ' O ' ' A' ' 49' ' ' LYS . . . -61.67 -49.87 74.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.104 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.4 t -53.47 -38.5 63.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.561 ' NE2' ' CD1' ' A' ' 11' ' ' TRP . 9.5 tp60 -65.56 -52.05 55.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.912 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.531 HG23 ' CZ3' ' A' ' 36' ' ' TRP . 95.8 t -52.47 -36.11 21.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.161 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -55.41 -50.07 70.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.948 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.3 mttp -82.49 18.13 1.57 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.559 ' CE2' HD23 ' A' ' 19' ' ' LEU . 2.8 m-85 -114.21 -39.26 3.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -103.11 -44.13 5.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 56.6 mt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.142 179.957 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.559 ' CH2' ' HG3' ' A' ' 46' ' ' ARG . 40.9 m95 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.884 0.373 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.7 t -93.92 158.6 15.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.131 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.3 p -45.14 -47.36 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.094 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -52.59 -48.33 66.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 16' ' ' GLN . 46.6 mt-10 -68.82 -55.47 11.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 15' ' ' GLU . 47.9 mt-30 -36.84 -61.91 0.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.44 ' HG3' ' N ' ' A' ' 18' ' ' LYS . 13.3 ptpt -55.67 -49.65 72.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.44 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 21.1 tttp -50.56 -59.35 4.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.495 HD21 ' CZ3' ' A' ' 11' ' ' TRP . 24.3 tp -54.38 -66.8 0.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.959 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 19' ' ' LEU . 69.1 mt-10 -35.54 -40.59 0.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 24.2 mm-40 -70.18 -52.28 24.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 24.9 mt -57.9 -50.83 72.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.405 ' HG ' ' CD1' ' A' ' 19' ' ' LEU . 15.9 mt -41.53 -44.91 3.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 44.3 mt -77.76 -39.78 26.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.531 ' CD ' ' CD2' ' A' ' 26' ' ' TYR . 1.4 tmtp? -53.87 -44.64 70.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.888 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.531 ' CD2' ' CD ' ' A' ' 25' ' ' LYS . 54.6 m-85 -91.55 120.23 68.28 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.698 0.761 . . . . 0.0 110.919 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 155.43 65.81 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.666 2.244 . . . . 0.0 112.333 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 172.03 13.44 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.707 2.272 . . . . 0.0 112.333 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.416 ' CD ' ' HD2' ' A' ' 34' ' ' ARG . 5.3 pt-20 -162.91 173.34 13.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.429 ' CD ' HG21 ' A' ' 31' ' ' VAL . 0.8 OUTLIER -50.59 -47.55 58.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.429 HG21 ' CD ' ' A' ' 30' ' ' GLU . 69.2 t -104.56 113.42 41.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.143 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -72.72 -31.04 64.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.2 t -53.07 -48.43 67.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.425 ' NH1' ' HB ' ' A' ' 31' ' ' VAL . 6.5 ptp85 -66.1 -28.18 68.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 55.8 ttt180 -69.04 -44.05 73.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.556 ' CH2' HG12 ' A' ' 55' ' ' VAL . 13.3 m95 -63.55 -36.4 83.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.419 ' N ' ' HB1' ' A' ' 48' ' ' ALA . 5.3 tp-100 -57.3 -48.25 79.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.939 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.1 mttt -58.74 -46.54 87.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.929 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 62.7 mt -62.0 -44.46 98.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.434 ' O ' ' C ' ' A' ' 41' ' ' ASP . . . -55.09 -56.4 20.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.084 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 40' ' ' ALA . 4.1 t70 -34.54 -59.45 0.46 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.887 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -52.45 -50.25 63.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.8 mt -56.85 -41.85 78.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.933 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 75.7 -46.92 2.07 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.522 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -74.46 -50.59 17.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.788 0.328 . . . . 0.0 110.912 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.559 ' HG3' ' CH2' ' A' ' 11' ' ' TRP . 8.1 mmt180 -85.14 157.35 20.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.841 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.488 ' O ' ' N ' ' A' ' 49' ' ' LYS . 38.6 p -119.12 156.3 30.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.419 ' HB1' ' N ' ' A' ' 37' ' ' GLN . . . -38.18 -26.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.113 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 47' ' ' THR . 0.1 OUTLIER -81.04 -67.34 0.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -47.0 -31.79 3.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.893 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 98.1 t -69.94 -42.05 79.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.68 -47.36 82.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.083 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 93.1 p -55.76 -46.9 77.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.826 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -62.76 -43.66 98.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.93 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.556 HG12 ' CH2' ' A' ' 36' ' ' TRP . 91.2 t -51.69 -32.85 14.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.127 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.419 ' CD ' HD12 ' A' ' 60' ' ' ILE . 12.2 mm100 -58.27 -43.24 87.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -90.19 18.81 5.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -119.1 -24.64 6.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.426 ' CD1' ' N ' ' A' ' 59' ' ' PHE . 1.9 m-85 -120.9 -44.8 2.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.419 HD12 ' CD ' ' A' ' 56' ' ' GLN . 20.8 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.168 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.566 ' CZ3' ' HB3' ' A' ' 15' ' ' GLU . 12.6 m95 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.83 0.348 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.446 ' O ' ' C ' ' A' ' 13' ' ' VAL . 8.9 t -140.31 148.39 41.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.157 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.446 ' C ' ' O ' ' A' ' 12' ' ' THR . 77.3 t -33.08 -45.29 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.171 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.497 ' O ' ' CB ' ' A' ' 18' ' ' LYS . 14.1 mt-10 -48.91 -68.42 0.18 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.566 ' HB3' ' CZ3' ' A' ' 11' ' ' TRP . 48.7 mm-40 -61.94 -37.36 84.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.856 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -45.47 -70.2 0.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.41 ' NZ ' ' HA ' ' A' ' 14' ' ' GLU . 8.4 pttm -72.63 -44.23 62.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.497 ' CB ' ' O ' ' A' ' 14' ' ' GLU . 54.4 tttt -50.39 -31.13 13.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.907 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.47 HD21 ' CZ3' ' A' ' 11' ' ' TRP . 9.4 tp -75.96 -56.51 4.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -43.67 -43.39 5.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.881 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -63.16 -50.01 72.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.429 HD23 ' CB ' ' A' ' 42' ' ' GLU . 27.1 mt -53.64 -50.13 66.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 21.1 mt -42.02 -45.43 3.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 37.1 mt -66.07 -43.43 92.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.104 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 64.8 tttt -59.68 -44.76 93.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.895 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.461 ' CE1' ' HB3' ' A' ' 38' ' ' LYS . 68.1 m-85 -97.02 103.53 15.45 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.698 0.761 . . . . 0.0 110.926 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 161.78 44.63 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.665 2.244 . . . . 0.0 112.387 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 126.32 13.16 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.681 2.254 . . . . 0.0 112.355 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.418 ' OE2' ' CE ' ' A' ' 38' ' ' LYS . 11.7 pt-20 -111.77 177.62 4.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -53.5 -49.09 68.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.0 t -93.33 117.29 36.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.084 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.442 ' HG3' ' CZ2' ' A' ' 36' ' ' TRP . 6.0 tp10 -64.84 -42.58 94.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.5 t -55.3 -58.88 5.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.839 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.8 mtt180 -43.97 -47.89 8.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 66.3 ttt180 -49.23 -63.91 0.96 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.442 ' CZ2' ' HG3' ' A' ' 32' ' ' GLU . 8.7 m95 -46.69 -47.14 20.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.926 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 21.0 tp60 -51.42 -46.54 62.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.94 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.461 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 43.4 mttm -58.48 -60.15 4.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 24.5 mt -52.17 -48.17 43.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.153 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -51.61 -57.52 8.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.074 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -38.16 -47.79 1.19 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.822 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.429 ' CB ' HD23 ' A' ' 22' ' ' LEU . 25.2 mm-40 -59.08 -49.32 78.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.415 HD22 ' CD ' ' A' ' 15' ' ' GLU . 85.6 mt -61.68 -52.44 64.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 94.73 -58.48 1.84 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 28.2 m-20 -67.93 -43.24 79.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.866 0.365 . . . . 0.0 110.91 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.56 ' HG3' ' CH2' ' A' ' 11' ' ' TRP . 15.6 mmp_? -83.63 160.31 21.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.885 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.2 p -128.02 169.19 14.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.145 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -48.41 -26.41 2.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.091 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.2 mmtt -79.6 -65.81 0.95 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -48.49 -28.47 3.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.942 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.446 ' O ' ' CG2' ' A' ' 55' ' ' VAL . 86.3 t -81.33 -37.81 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.085 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.73 -49.67 76.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.045 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -66.43 -42.0 88.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.817 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.443 ' HG3' ' CE1' ' A' ' 58' ' ' TYR . 4.5 tp60 -60.94 -46.89 88.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.446 ' CG2' ' O ' ' A' ' 51' ' ' VAL . 92.6 t -53.35 -37.48 29.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 47.9 mm-40 -57.5 -48.44 79.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.5 mttp -83.91 23.61 1.0 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.956 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.443 ' CE1' ' HG3' ' A' ' 54' ' ' GLN . 3.1 m-85 -121.96 -33.48 3.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.401 ' N ' ' CD1' ' A' ' 59' ' ' PHE . 2.4 m-85 -110.76 -44.45 3.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 79.0 mt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.133 179.962 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.544 ' CZ2' ' HG3' ' A' ' 46' ' ' ARG . 12.4 m95 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.84 0.353 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.466 ' O ' ' N ' ' A' ' 15' ' ' GLU . 10.3 t -119.54 139.93 51.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 12' ' ' THR . 7.2 p -36.68 -41.52 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.136 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -58.33 -43.96 88.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -80.6 -53.17 6.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.94 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 15' ' ' GLU . 91.0 mt-30 -37.01 -53.15 0.97 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.6 ptmm? -69.03 -38.45 79.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.431 ' CD ' HD12 ' A' ' 22' ' ' LEU . 1.9 tmtp? -57.33 -45.77 83.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.562 HD21 ' CE2' ' A' ' 58' ' ' TYR . 24.8 tp -55.7 -51.51 67.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.946 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -42.07 -49.97 4.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.828 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -63.64 -44.61 93.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.487 ' O ' ' N ' ' A' ' 25' ' ' LYS . 22.4 mt -60.14 -60.24 4.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.467 ' HG ' ' CD1' ' A' ' 19' ' ' LEU . 38.0 mt -34.67 -47.06 0.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 18.5 mt -67.29 -42.36 87.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.487 ' N ' ' O ' ' A' ' 22' ' ' LEU . 13.5 tttp -62.62 -38.62 90.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.51 ' CE1' ' HB3' ' A' ' 38' ' ' LYS . 51.9 m-85 -104.78 92.73 5.39 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.682 0.753 . . . . 0.0 110.924 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 166.86 26.27 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.637 2.225 . . . . 0.0 112.315 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 111.97 2.94 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.702 2.268 . . . . 0.0 112.364 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.43 ' O ' ' C ' ' A' ' 30' ' ' GLU . 9.1 pt-20 -97.14 179.43 4.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.908 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 29' ' ' GLU . 6.0 pt-20 -36.03 -48.55 0.6 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.8 t -111.02 152.14 13.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.165 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.601 ' O ' ' CD1' ' A' ' 36' ' ' TRP . 0.0 OUTLIER -99.62 -21.26 15.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 72.1 m -75.91 -19.4 58.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.467 ' HD2' ' N ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -87.7 -46.43 9.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.919 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 34.9 ttt180 -46.35 -41.09 12.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.601 ' CD1' ' O ' ' A' ' 32' ' ' GLU . 11.9 m95 -63.65 -38.02 89.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -57.34 -46.39 83.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.51 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 52.5 mttm -63.93 -45.9 87.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 38.6 mt -61.13 -54.17 38.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.158 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -47.32 -50.72 21.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -46.17 -50.01 16.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.826 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -55.54 -49.65 72.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.6 mt -60.41 -58.8 6.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.53 -30.79 6.56 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.427 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -87.07 -47.11 9.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.82 0.343 . . . . 0.0 110.843 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.544 ' HG3' ' CZ2' ' A' ' 11' ' ' TRP . 8.7 mmt180 -86.8 -178.79 6.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.882 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 48' ' ' ALA . 50.5 p -138.22 157.6 45.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.114 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 47' ' ' THR . . . -34.21 -58.51 0.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.126 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.425 ' O ' ' N ' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -54.65 -70.0 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -39.01 -39.29 0.53 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.944 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 99.1 t -68.83 -43.04 82.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.114 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 49' ' ' LYS . . . -56.59 -41.63 77.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.065 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.7 t -70.36 -38.52 74.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.858 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.476 ' HG3' ' CE1' ' A' ' 58' ' ' TYR . 6.1 tp60 -66.54 -30.2 70.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.87 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.481 HG21 ' CZ3' ' A' ' 36' ' ' TRP . 79.1 t -64.06 -47.51 89.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.119 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.488 ' OE1' ' CG ' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -51.97 -39.33 59.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.488 ' CG ' ' OE1' ' A' ' 56' ' ' GLN . 33.3 mttt -88.47 20.82 3.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.562 ' CE2' HD21 ' A' ' 19' ' ' LEU . 2.8 m-85 -121.18 -22.4 6.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -121.93 -30.94 4.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 35.2 mt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.085 -179.957 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.588 ' CG ' ' NE2' ' A' ' 54' ' ' GLN . 12.2 m95 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.893 0.378 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.7 t -118.32 154.84 31.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.124 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.1 p -46.52 -49.43 6.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.11 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -51.34 -46.95 62.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -68.41 -50.08 55.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -43.3 -48.42 6.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.903 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.2 ptpp? -76.76 -34.87 58.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.867 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.5 tttp -63.67 -66.19 0.58 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.506 HD23 ' CZ3' ' A' ' 11' ' ' TRP . 10.8 tp -44.17 -58.6 2.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.414 ' O ' ' CD1' ' A' ' 24' ' ' ILE . 43.3 mt-10 -37.89 -56.75 1.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -59.91 -42.89 94.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.926 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 30.6 mt -59.45 -38.28 80.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.442 ' O ' ' NH2' ' A' ' 35' ' ' ARG . 73.1 mt -54.15 -51.15 65.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.414 ' CD1' ' O ' ' A' ' 20' ' ' GLU . 5.3 mp -72.34 -44.13 63.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.3 tttp -56.53 -34.21 66.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.866 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -94.48 122.44 61.04 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.721 0.772 . . . . 0.0 110.909 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 170.1 17.38 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.711 2.274 . . . . 0.0 112.334 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 166.51 27.3 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.666 2.244 . . . . 0.0 112.372 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.499 ' OE1' ' N ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -139.59 -178.04 5.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.877 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -71.09 -47.69 56.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.91 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.473 ' O ' ' C ' ' A' ' 32' ' ' GLU . 22.6 t -117.02 117.73 56.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.132 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.518 ' HG2' ' CE2' ' A' ' 36' ' ' TRP . 6.8 tt0 -32.85 -64.9 0.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.862 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 32' ' ' GLU . 5.4 p -35.85 -56.93 0.69 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.826 -179.748 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.464 ' CG ' ' HB ' ' A' ' 31' ' ' VAL . 23.1 mmt180 -39.66 -51.79 2.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.835 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.442 ' NH2' ' O ' ' A' ' 23' ' ' LEU . 72.1 ttt180 -52.45 -67.14 0.28 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.518 ' CE2' ' HG2' ' A' ' 32' ' ' GLU . 5.5 m95 -44.92 -46.79 11.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.453 ' NE2' ' HA ' ' A' ' 37' ' ' GLN . 2.0 tp-100 -49.19 -34.11 13.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.89 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.5 mttm -75.81 -59.55 2.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 50.5 mt -48.36 -42.16 11.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.099 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -53.54 -54.28 39.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.083 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -39.42 -48.04 1.88 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -57.06 -53.39 58.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.3 mt -56.54 -48.67 76.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 85.05 -31.78 3.64 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.498 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 23.8 m-20 -93.58 -42.18 9.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.853 0.359 . . . . 0.0 110.895 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.493 ' HG3' ' CH2' ' A' ' 11' ' ' TRP . 6.1 mmp_? -86.02 160.48 19.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.444 ' O ' ' C ' ' A' ' 48' ' ' ALA . 2.3 p -125.17 157.75 35.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.166 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 47' ' ' THR . . . -34.39 -49.86 0.4 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.085 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.71 -68.96 0.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 71.2 mm-40 -42.7 -35.74 1.22 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.939 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 75.7 t -73.23 -39.47 56.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.09 -49.02 77.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 61.0 m -67.48 -43.28 81.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.588 ' NE2' ' CG ' ' A' ' 11' ' ' TRP . 5.4 tp60 -55.34 -37.17 67.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.906 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 86.6 t -66.85 -35.38 74.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -63.38 -34.52 77.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.0 mttm -97.37 14.92 24.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.406 ' C ' ' CD1' ' A' ' 59' ' ' PHE . 3.1 m-30 -115.03 -10.87 12.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.429 ' CD1' ' N ' ' A' ' 59' ' ' PHE . 2.0 m-85 -131.67 -56.14 1.0 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.916 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 59.3 mt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.107 179.984 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.526 ' CH2' ' HG3' ' A' ' 46' ' ' ARG . 11.5 m95 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.853 0.358 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.9 t -95.9 147.65 23.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.9 p -38.44 -48.97 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.106 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -46.04 -68.48 0.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 16' ' ' GLN . 8.6 mm-40 -48.84 -54.65 14.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 15' ' ' GLU . 39.4 mt-30 -36.43 -40.45 0.24 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.923 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.7 mtmt -71.63 -65.26 0.78 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.404 ' HG2' ' CD1' ' A' ' 22' ' ' LEU . 33.2 tttp -42.38 -43.59 3.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.938 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.551 HD21 ' CE2' ' A' ' 58' ' ' TYR . 39.5 tp -62.29 -46.9 86.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -53.06 -46.23 68.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 -69.21 -51.71 35.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.911 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.404 ' CD1' ' HG2' ' A' ' 18' ' ' LYS . 10.7 mt -52.04 -48.47 64.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.916 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 18.9 mt -40.7 -43.59 1.99 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.917 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 18.4 mt -76.37 -44.72 35.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.52 ' HD2' ' CE2' ' A' ' 26' ' ' TYR . 2.8 tmtm? -54.24 -39.41 66.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.565 ' CE1' ' HB3' ' A' ' 38' ' ' LYS . 55.3 m-85 -104.07 94.84 7.08 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.624 0.726 . . . . 0.0 110.873 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 164.44 34.55 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.681 2.254 . . . . 0.0 112.371 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 140.1 41.82 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.619 2.213 . . . . 0.0 112.35 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -133.64 173.31 11.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -42.77 -49.36 5.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 98.9 t -101.46 107.8 22.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.161 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.484 ' HG2' ' CE2' ' A' ' 36' ' ' TRP . 14.0 tt0 -63.51 -34.52 77.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.3 t -51.23 -60.1 3.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 32.9 mtp180 -49.34 -52.4 28.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.864 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 55.5 ttt180 -41.27 -45.35 2.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.512 ' CZ3' HG22 ' A' ' 55' ' ' VAL . 13.7 m95 -69.73 -46.89 64.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 19.1 tp60 -52.96 -43.77 66.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.878 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.565 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 42.7 mttm -62.52 -45.99 90.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 59.8 mt -62.1 -42.13 93.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.161 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 41' ' ' ASP . . . -54.7 -58.9 5.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.164 179.769 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 40' ' ' ALA . 10.1 t0 -34.72 -57.17 0.54 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.837 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -49.66 -56.3 10.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.1 mt -51.02 -59.58 4.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.944 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.08 -56.17 0.54 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.489 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 21.4 p-10 -77.4 -53.82 7.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.854 0.359 . . . . 0.0 110.953 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.526 ' HG3' ' CH2' ' A' ' 11' ' ' TRP . 2.2 mmp_? -67.54 167.33 13.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.491 ' O ' ' N ' ' A' ' 49' ' ' LYS . 10.1 t -140.46 158.6 43.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.113 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 47' ' ' THR . . . -37.15 -28.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.075 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.491 ' N ' ' O ' ' A' ' 47' ' ' THR . 12.7 tptt -74.76 -71.0 0.37 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.425 ' CD ' ' N ' ' A' ' 50' ' ' GLN . 0.5 OUTLIER -51.08 -36.76 41.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 95.0 t -63.11 -50.43 79.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.123 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.94 -49.86 65.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.083 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 37.4 p -62.61 -28.37 69.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.416 ' O ' ' CD1' ' A' ' 58' ' ' TYR . 20.5 tp60 -76.72 -39.25 52.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.512 HG22 ' CZ3' ' A' ' 36' ' ' TRP . 85.3 t -69.71 -46.18 75.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.47 ' HG3' ' N ' ' A' ' 57' ' ' LYS . 2.6 pt20 -55.14 -37.18 66.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.47 ' N ' ' HG3' ' A' ' 56' ' ' GLN . 58.4 mttt -89.73 19.56 4.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.551 ' CE2' HD21 ' A' ' 19' ' ' LEU . 2.8 m-30 -116.78 -47.32 2.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.404 ' N ' ' CD1' ' A' ' 59' ' ' PHE . 2.2 m-85 -91.89 -31.7 15.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.886 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 10.6 mt . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.144 179.926 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 6.7 m95 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.866 0.365 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.495 ' CG2' ' OE2' ' A' ' 15' ' ' GLU . 7.4 t -107.63 142.42 37.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.428 ' C ' ' O ' ' A' ' 12' ' ' THR . 73.1 t -34.21 -52.73 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.163 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -45.51 -60.99 1.87 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.495 ' OE2' ' CG2' ' A' ' 12' ' ' THR . 0.0 OUTLIER -61.6 -50.37 72.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 -179.894 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 15' ' ' GLU . 19.6 mt-30 -36.33 -67.62 0.16 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -66.45 -53.4 35.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 32.1 tttp -39.4 -36.9 0.4 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.6 tp -74.0 -58.94 2.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.953 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -42.83 -42.96 3.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.836 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -68.45 -47.61 66.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 49.2 mt -56.55 -43.26 79.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.2 mt -48.36 -52.28 22.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.956 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 33.5 mt -62.86 -42.73 97.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.14 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 52.6 tttt -53.68 -56.59 16.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.54 ' CE1' ' HB3' ' A' ' 38' ' ' LYS . 71.5 m-85 -79.89 122.04 82.86 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.673 0.749 . . . . 0.0 110.921 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 160.32 50.14 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.641 2.227 . . . . 0.0 112.317 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 143.06 49.68 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.719 2.279 . . . . 0.0 112.353 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.473 ' OE1' ' N ' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -128.18 -174.27 3.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.9 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -85.2 -33.47 22.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.493 ' O ' ' N ' ' A' ' 33' ' ' SER . 97.4 t -109.47 87.79 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.166 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.52 ' HB2' ' CE2' ' A' ' 36' ' ' TRP . 23.0 pm0 -36.39 -29.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 31' ' ' VAL . 1.1 t -50.47 -70.65 0.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.829 -179.77 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -48.24 -32.38 7.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.853 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 21.6 ttt180 -65.07 -40.71 95.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.52 ' CE2' ' HB2' ' A' ' 32' ' ' GLU . 9.7 m95 -74.03 -41.55 61.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 43.9 tp60 -54.89 -51.85 64.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.54 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 32.8 mttm -53.72 -52.77 59.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.87 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 24.5 mt -58.25 -44.06 87.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.16 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -53.83 -53.3 54.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.102 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -42.45 -53.28 4.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -50.75 -46.36 59.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 19.7 mt -64.19 -42.04 96.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.951 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 81.37 -42.49 2.77 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.502 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -86.34 -45.13 11.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.807 0.337 . . . . 0.0 110.926 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 63.8 mmt-85 -77.89 164.71 24.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.416 ' O ' ' C ' ' A' ' 48' ' ' ALA . 24.9 p -129.16 160.44 32.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 47' ' ' THR . . . -35.74 -56.25 0.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.051 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.49 ' O ' ' N ' ' A' ' 52' ' ' ALA . 8.2 mmmt -54.66 -70.1 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.93 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 49' ' ' LYS . 80.2 mm-40 -38.16 -36.63 0.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 85.0 t -75.17 -39.93 43.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.077 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.49 ' N ' ' O ' ' A' ' 49' ' ' LYS . . . -58.78 -53.04 62.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.102 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 21.7 m -57.35 -41.15 79.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.847 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 8.6 tp60 -63.05 -49.9 72.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 85.7 t -53.3 -34.93 23.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.159 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -56.76 -53.68 55.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.8 mttm -75.0 5.17 5.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -101.39 -33.16 10.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -111.12 -40.97 4.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 49.7 mt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.161 179.971 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.517 ' CH2' ' HG3' ' A' ' 46' ' ' ARG . 12.0 m95 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.907 0.384 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.1 p -88.32 176.37 7.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.126 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.4 p -63.29 -48.05 89.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.144 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -61.64 -53.38 56.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.63 -51.51 69.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.872 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -44.07 -69.08 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 18' ' ' LYS . 3.7 pttm -52.34 -32.38 37.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.416 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 32.1 tttt -63.78 -43.74 95.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.9 tp -58.99 -53.25 60.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.937 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -49.41 -51.25 36.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -59.02 -41.98 89.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.923 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 21.5 mt -63.03 -50.7 69.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.963 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 29.3 mt -50.28 -47.97 55.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.914 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 20.5 mt -65.47 -42.63 93.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.129 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.8 tttp -58.82 -58.34 9.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -78.19 117.08 63.9 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.668 0.747 . . . . 0.0 110.879 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 150.83 68.61 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.648 2.232 . . . . 0.0 112.347 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 118.11 5.49 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.681 2.254 . . . . 0.0 112.285 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 30' ' ' GLU . 11.8 pt-20 -99.04 165.76 11.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 29' ' ' GLU . 11.7 pt-20 -37.49 -50.58 1.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 86.9 t -88.46 150.7 3.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.406 ' HG2' ' CZ2' ' A' ' 36' ' ' TRP . 34.9 tt0 -94.66 -35.61 12.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 89.4 p -61.71 -50.92 70.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 74.5 mtt180 -52.75 -48.89 66.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.873 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -45.19 -43.35 10.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.827 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.406 ' CZ2' ' HG2' ' A' ' 32' ' ' GLU . 6.4 m95 -69.9 -36.2 75.22 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.948 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -58.3 -49.33 77.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 36.6 mttm -59.22 -44.9 92.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.845 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 29.6 mt -61.67 -55.58 23.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.12 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.427 ' O ' ' C ' ' A' ' 41' ' ' ASP . . . -45.67 -52.0 11.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.11 179.8 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 40' ' ' ALA . 13.8 t0 -36.02 -56.07 0.74 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -53.9 -56.62 16.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.6 mt -51.35 -54.81 22.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 90.21 -45.2 2.97 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.483 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -78.8 -45.66 20.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.839 0.352 . . . . 0.0 110.869 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.517 ' HG3' ' CH2' ' A' ' 11' ' ' TRP . 51.2 mmt-85 -81.06 171.83 14.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 48' ' ' ALA . 42.0 p -138.71 158.24 44.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.152 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' A' ' 47' ' ' THR . . . -34.21 -53.55 0.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.071 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.408 ' O ' ' N ' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -58.28 -70.23 0.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.899 179.94 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -42.08 -31.89 0.41 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.979 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 93.1 t -75.4 -40.05 41.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.126 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 49' ' ' LYS . . . -57.12 -49.0 77.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.085 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.1 t -55.3 -46.62 76.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.514 ' HG3' ' CE1' ' A' ' 58' ' ' TYR . 7.7 tp60 -61.64 -46.84 88.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.894 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 96.7 t -51.22 -41.06 23.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.111 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -55.01 -48.29 73.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.0 mttp -84.39 27.46 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.917 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.514 ' CE1' ' HG3' ' A' ' 54' ' ' GLN . 4.2 m-85 -127.68 -31.85 2.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.408 ' N ' ' CD1' ' A' ' 59' ' ' PHE . 2.3 m-85 -113.57 -43.12 3.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 75.9 mt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.135 179.995 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.539 ' CZ2' ' HG2' ' A' ' 54' ' ' GLN . 8.2 m95 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.873 0.368 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.466 HG23 ' CG ' ' A' ' 14' ' ' GLU . 10.0 t -96.2 141.86 29.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.152 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.445 ' C ' ' O ' ' A' ' 12' ' ' THR . 90.5 t -33.73 -72.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.106 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.466 ' CG ' HG23 ' A' ' 12' ' ' THR . 19.5 pt-20 -34.03 -45.02 0.19 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.422 ' CD ' ' HG3' ' A' ' 14' ' ' GLU . 0.1 OUTLIER -70.64 -49.63 45.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.93 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -42.82 -56.28 3.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.87 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.447 ' CE ' ' HA ' ' A' ' 14' ' ' GLU . 29.5 pttt -70.95 -46.76 61.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.444 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 33.1 tttp -46.3 -44.04 16.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.425 HD21 ' CZ3' ' A' ' 11' ' ' TRP . 13.7 tp -63.92 -49.18 73.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -50.93 -43.42 60.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -66.67 -57.91 6.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 23' ' ' LEU . 10.1 mt -46.23 -52.55 12.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 22' ' ' LEU . 28.8 mt -37.36 -46.0 0.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 26.3 mt -79.65 -39.58 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.164 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.9 tttm -50.56 -53.96 26.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.489 ' CE1' ' HB3' ' A' ' 38' ' ' LYS . 79.4 m-85 -86.4 122.11 72.18 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.692 0.758 . . . . 0.0 110.915 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 168.24 22.08 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.688 2.258 . . . . 0.0 112.343 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 164.52 34.2 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.669 2.246 . . . . 0.0 112.374 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.464 ' OE1' ' C ' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -146.43 -174.98 4.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -82.54 -32.52 28.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.464 ' C ' ' OE1' ' A' ' 29' ' ' GLU . 39.1 t -108.36 92.17 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.126 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.502 ' HG2' ' CZ2' ' A' ' 36' ' ' TRP . 19.0 tt0 -40.88 -27.48 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 31' ' ' VAL . 2.6 m -65.74 -67.77 0.42 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -42.97 -32.55 0.66 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.409 ' HB2' ' CG ' ' A' ' 29' ' ' GLU . 50.1 ttt180 -59.04 -57.7 11.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.841 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.502 ' CZ2' ' HG2' ' A' ' 32' ' ' GLU . 10.8 m95 -53.69 -32.78 53.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -61.96 -49.63 75.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.925 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.489 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 45.9 mttt -56.03 -41.32 74.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 22.7 mt -70.13 -55.33 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.46 -50.1 32.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.077 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -43.38 -49.52 6.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -58.19 -45.92 86.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.9 mt -60.24 -46.31 90.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 80.98 -38.8 2.39 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.484 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -85.62 -38.29 18.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.837 0.351 . . . . 0.0 110.896 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.9 mmt-85 -89.01 176.02 7.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.834 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.446 ' HG1' ' NE2' ' A' ' 50' ' ' GLN . 57.9 p -137.81 160.65 38.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -43.36 -36.46 1.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.116 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -72.24 -66.18 0.68 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.478 ' OE1' ' N ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -42.22 -38.12 1.67 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 93.7 t -72.41 -39.37 62.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.109 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.4 -45.16 69.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.064 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 71.4 m -74.7 -29.72 61.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.539 ' HG2' ' CZ2' ' A' ' 11' ' ' TRP . 7.9 tp60 -71.44 -37.08 71.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.927 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.46 HG22 ' CZ3' ' A' ' 36' ' ' TRP . 78.8 t -69.56 -50.27 52.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.081 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.447 ' HG3' ' N ' ' A' ' 57' ' ' LYS . 6.1 pt20 -54.15 -34.12 59.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.447 ' N ' ' HG3' ' A' ' 56' ' ' GLN . 48.7 mttp -89.62 15.85 8.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.404 ' CD1' ' O ' ' A' ' 54' ' ' GLN . 2.7 m-85 -118.85 -25.78 6.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.931 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.423 ' CD1' ' N ' ' A' ' 59' ' ' PHE . 2.1 m-85 -116.98 -40.59 3.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.885 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 11.2 mt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.119 179.976 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.525 ' CH2' ' HG3' ' A' ' 46' ' ' ARG . 11.5 m95 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.859 0.361 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.448 ' O ' ' C ' ' A' ' 13' ' ' VAL . 8.9 t -83.49 140.69 32.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.133 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.448 ' C ' ' O ' ' A' ' 12' ' ' THR . 95.1 t -33.99 -48.85 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.415 ' HA ' ' NZ ' ' A' ' 17' ' ' LYS . 48.8 mm-40 -54.71 -52.48 62.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.434 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 64.5 mt-10 -64.85 -50.62 65.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -42.95 -69.33 0.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.914 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.455 ' HG3' ' N ' ' A' ' 18' ' ' LYS . 16.4 pttp -57.41 -45.45 84.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.455 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 15.6 tttp -46.4 -62.11 1.5 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.458 HD23 ' CE2' ' A' ' 58' ' ' TYR . 9.3 tp -45.81 -55.97 5.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -38.82 -44.73 1.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 44.2 mm-40 -69.45 -51.5 35.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 78.5 mt -51.38 -44.8 62.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.932 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.0 mt -49.17 -46.4 45.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.942 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 32.2 mt -64.33 -47.0 91.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.121 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.6 tttp -59.43 -40.49 86.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.555 ' CE1' ' HB3' ' A' ' 38' ' ' LYS . 52.9 m-85 -104.93 92.18 5.03 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.613 0.721 . . . . 0.0 110.924 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 167.35 24.73 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.666 2.244 . . . . 0.0 112.321 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 145.68 57.9 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.678 2.252 . . . . 0.0 112.316 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -137.09 -175.72 4.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -53.78 -42.54 68.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.847 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 43.2 t -108.9 107.39 22.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.091 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -64.2 -34.87 79.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 58.3 m -51.92 -57.65 8.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.893 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 29.4 mtt-85 -52.48 -51.56 58.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.918 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 45.3 ttt180 -40.84 -55.49 2.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.847 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.431 ' CZ3' HG21 ' A' ' 55' ' ' VAL . 8.0 m95 -55.48 -50.16 70.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 11.1 tp60 -47.13 -44.67 21.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.928 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.555 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 54.5 mttm -60.21 -48.86 79.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 42.2 mt -60.89 -50.22 81.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.16 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 41' ' ' ASP . . . -50.77 -58.2 6.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 179.778 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 40' ' ' ALA . 13.4 t0 -35.34 -51.78 0.6 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -57.75 -54.01 51.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.3 mt -54.65 -49.86 69.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.909 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 82.77 -51.29 4.53 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.476 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -68.65 -42.63 77.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.818 0.342 . . . . 0.0 110.855 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.525 ' HG3' ' CH2' ' A' ' 11' ' ' TRP . 79.4 mmt-85 -89.8 172.25 9.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.449 ' O ' ' C ' ' A' ' 48' ' ' ALA . 32.0 p -130.23 156.73 44.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.144 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 47' ' ' THR . . . -34.08 -57.81 0.47 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.069 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.403 ' HD3' ' C ' ' A' ' 49' ' ' LYS . 0.3 OUTLIER -50.78 -66.49 0.38 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.876 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -40.54 -50.53 2.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 80.3 t -54.22 -45.42 67.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.155 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.04 -48.24 73.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.071 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.2 m -57.92 -42.2 84.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.828 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -68.08 -40.74 82.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.431 HG21 ' CZ3' ' A' ' 36' ' ' TRP . 96.2 t -54.13 -37.62 35.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.113 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -58.15 -46.23 86.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -81.49 16.08 1.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.458 ' CE2' HD23 ' A' ' 19' ' ' LEU . 2.8 m-30 -116.0 -26.24 7.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.97 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -117.95 -26.62 6.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.913 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 36.1 mt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.084 -179.994 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.562 ' CZ2' ' HD2' ' A' ' 46' ' ' ARG . 14.2 m95 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.832 0.348 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.465 ' O ' ' C ' ' A' ' 13' ' ' VAL . 3.3 t -110.37 142.61 41.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.115 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.465 ' C ' ' O ' ' A' ' 12' ' ' THR . 69.9 t -32.87 -58.03 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.124 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -40.38 -66.64 0.3 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -58.25 -48.8 79.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -40.08 -68.47 0.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.5 -39.32 94.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.465 ' CE ' HD12 ' A' ' 22' ' ' LEU . 6.0 tmtm? -58.49 -27.27 64.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.877 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 20.4 tp -82.93 -51.66 7.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -40.9 -42.51 1.86 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -66.85 -54.0 26.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.465 HD12 ' CE ' ' A' ' 18' ' ' LYS . 10.3 mt -54.15 -48.71 70.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.4 mt -39.94 -47.79 2.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 18.2 mt -69.8 -46.97 72.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.14 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.561 ' HD2' ' CE2' ' A' ' 26' ' ' TYR . 1.8 tmtm? -50.92 -50.54 57.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.561 ' CE2' ' HD2' ' A' ' 25' ' ' LYS . 59.9 m-85 -92.42 106.96 20.29 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.72 0.771 . . . . 0.0 110.924 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 160.39 49.88 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.68 2.253 . . . . 0.0 112.344 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 152.3 69.35 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.705 2.27 . . . . 0.0 112.37 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.449 ' O ' ' C ' ' A' ' 30' ' ' GLU . 14.9 pt-20 -144.55 155.36 43.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 29' ' ' GLU . 1.7 tm-20 -34.43 -50.27 0.42 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.908 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.411 HG22 ' CD ' ' A' ' 30' ' ' GLU . 45.7 t -100.58 94.41 3.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.122 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.487 ' HB2' ' CE2' ' A' ' 36' ' ' TRP . 6.2 pt-20 -50.27 -37.3 35.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 33.5 t -44.4 -54.11 6.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.853 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 51.6 mtt-85 -52.78 -45.09 67.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.834 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 61.2 ttt180 -55.95 -60.67 3.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.826 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.51 ' CD1' ' HB3' ' A' ' 52' ' ' ALA . 5.5 m95 -50.61 -37.45 40.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.938 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 55.3 tp60 -61.47 -45.04 95.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.52 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 65.1 mttt -60.1 -47.52 85.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.405 HG23 ' CD1' ' A' ' 43' ' ' LEU . 25.2 mt -65.28 -52.42 52.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.172 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -43.04 -43.72 4.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.096 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -53.75 -50.65 65.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -60.91 -48.79 80.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.465 ' CD2' ' HD2' ' A' ' 18' ' ' LYS . 10.3 mt -55.9 -45.37 78.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 77.47 -50.13 3.14 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.507 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 54.3 m-20 -73.5 -46.17 49.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.829 0.347 . . . . 0.0 110.868 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.562 ' HD2' ' CZ2' ' A' ' 11' ' ' TRP . 8.4 mmt180 -90.66 151.11 21.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.446 ' CG2' ' HG2' ' A' ' 50' ' ' GLN . 1.6 t -107.23 163.61 12.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.127 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -37.69 -49.65 1.15 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.045 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -53.84 -69.46 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.917 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.446 ' HG2' ' CG2' ' A' ' 47' ' ' THR . 22.4 mm-40 -40.42 -40.08 1.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 93.1 t -67.94 -39.65 82.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.152 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.51 ' HB3' ' CD1' ' A' ' 36' ' ' TRP . . . -58.56 -57.67 11.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.059 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 47.7 m -61.78 -38.21 87.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.493 ' CD ' ' CE1' ' A' ' 58' ' ' TYR . 4.0 tp-100 -61.76 -47.48 84.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.915 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.456 ' CG2' ' CZ3' ' A' ' 36' ' ' TRP . 98.5 t -57.08 -35.89 49.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.158 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -58.34 -51.24 70.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 46.2 mtpt -78.63 10.17 3.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.493 ' CE1' ' CD ' ' A' ' 54' ' ' GLN . 2.7 m-85 -105.16 -32.48 8.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.409 ' CD1' ' N ' ' A' ' 59' ' ' PHE . 2.3 m-85 -110.5 -38.78 5.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.869 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 61.3 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.131 179.946 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.534 ' NE1' ' NH1' ' A' ' 46' ' ' ARG . 31.1 m95 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.832 0.349 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.435 ' O ' ' N ' ' A' ' 15' ' ' GLU . 9.5 t -111.92 145.18 40.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.117 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.417 ' C ' ' O ' ' A' ' 12' ' ' THR . 14.5 p -36.65 -37.1 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.11 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -57.43 -46.56 83.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.922 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 12' ' ' THR . 10.2 mm-40 -80.61 -38.37 29.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -53.6 -44.69 69.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.6 ptmt -78.45 -47.42 17.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 51.5 tttt -53.65 -58.65 6.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.429 HD22 ' CE2' ' A' ' 58' ' ' TYR . 22.1 tp -46.95 -53.83 11.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -41.2 -44.45 2.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.89 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 65.6 mm-40 -66.96 -43.63 82.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 23' ' ' LEU . 9.9 mt -63.02 -55.36 26.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 22' ' ' LEU . 11.2 mt -38.31 -47.34 1.2 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 47.0 mt -71.12 -49.87 45.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.166 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.534 ' HD3' ' CE2' ' A' ' 26' ' ' TYR . 26.5 tttp -49.62 -43.62 46.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.534 ' CE2' ' HD3' ' A' ' 25' ' ' LYS . 72.4 m-85 -100.11 100.57 11.9 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.678 0.752 . . . . 0.0 110.91 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 167.05 25.53 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.709 2.273 . . . . 0.0 112.336 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 124.96 11.57 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.67 2.247 . . . . 0.0 112.342 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.451 ' O ' ' C ' ' A' ' 30' ' ' GLU . 6.5 pt-20 -119.97 159.51 24.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 29' ' ' GLU . 13.2 pt-20 -34.33 -50.26 0.41 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.896 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.433 ' N ' ' HG3' ' A' ' 30' ' ' GLU . 85.2 t -92.63 135.28 28.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.12 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.516 ' HG2' ' CE2' ' A' ' 36' ' ' TRP . 7.9 tt0 -92.81 -32.2 14.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.0 t -57.96 -63.59 1.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.462 ' HG3' ' N ' ' A' ' 35' ' ' ARG . 14.1 ptp180 -49.3 -39.98 33.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.462 ' N ' ' HG3' ' A' ' 34' ' ' ARG . 63.9 ttt180 -54.51 -42.46 70.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.55 ' CZ3' HG22 ' A' ' 55' ' ' VAL . 13.8 m95 -74.61 -35.81 62.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -57.94 -38.02 75.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.928 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 40.6 mttt -69.31 -61.45 1.78 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 53.3 mt -45.77 -47.88 4.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.115 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.456 ' HB2' ' CA ' ' A' ' 47' ' ' THR . . . -63.43 -69.18 0.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.161 179.803 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -44.13 -28.03 0.45 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -71.36 -41.54 69.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.5 mt -62.58 -57.25 11.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 116.96 -29.26 6.91 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.5 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -108.65 -56.67 2.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.819 0.342 . . . . 0.0 110.875 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.534 ' NH1' ' NE1' ' A' ' 11' ' ' TRP . 7.8 mmt180 -60.57 170.67 1.33 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.456 ' CA ' ' HB2' ' A' ' 40' ' ' ALA . 7.1 p -134.47 156.06 49.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.125 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 47' ' ' THR . . . -36.19 -42.53 0.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 179.791 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 50' ' ' GLN . 3.3 tmtm? -64.12 -69.92 0.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.943 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 49' ' ' LYS . 35.1 mm-40 -36.96 -44.27 0.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.907 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 98.8 t -59.52 -53.68 44.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -47.51 -62.15 1.58 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.142 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 86.9 p -47.41 -52.69 16.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.837 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 57' ' ' LYS . 3.8 tp-100 -54.48 -56.33 19.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.929 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.55 HG22 ' CZ3' ' A' ' 36' ' ' TRP . 96.8 t -36.74 -53.32 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.111 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -57.47 -40.33 78.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 54' ' ' GLN . 14.5 mmtt -77.15 8.73 3.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.429 ' CE2' HD22 ' A' ' 19' ' ' LEU . 3.5 m-30 -115.32 -48.52 2.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.407 ' CD1' ' N ' ' A' ' 59' ' ' PHE . 2.3 m-85 -91.62 -50.95 5.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.897 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 12.6 mt . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.143 179.968 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.482 ' CD1' ' NE2' ' A' ' 54' ' ' GLN . 49.3 m95 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.873 0.368 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.449 ' O ' ' C ' ' A' ' 13' ' ' VAL . 10.8 t -98.68 148.48 23.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.179 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.449 ' C ' ' O ' ' A' ' 12' ' ' THR . 74.5 t -33.93 -55.19 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.162 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -46.11 -57.83 4.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.917 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.467 ' OE1' ' N ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -61.81 -53.24 58.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.925 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -37.25 -69.48 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 30.6 pttt -58.11 -45.19 87.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.943 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 31.3 tttt -47.58 -40.6 19.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.559 HD22 ' CE2' ' A' ' 58' ' ' TYR . 13.9 tp -69.69 -61.45 1.78 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.948 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 19' ' ' LEU . 15.1 mt-10 -34.67 -39.17 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 -74.97 -44.7 46.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.936 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' ' 19' ' ' LEU . 13.6 mt -59.37 -39.03 81.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.944 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 44.0 mt -49.77 -49.61 47.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 47.7 mt -64.76 -47.12 89.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.089 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.5 ttmt -56.19 -42.66 77.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.516 ' CE1' ' HB3' ' A' ' 38' ' ' LYS . 52.7 m-85 -104.82 92.47 5.19 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.638 0.733 . . . . 0.0 110.933 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 166.18 28.46 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.651 2.234 . . . . 0.0 112.319 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.402 ' HB3' ' NH1' ' A' ' 35' ' ' ARG . 53.9 Cg_endo -69.79 152.64 69.23 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.632 2.221 . . . . 0.0 112.381 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 30' ' ' GLU . 2.6 pt-20 -146.89 172.91 12.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 29' ' ' GLU . 9.7 tt0 -37.95 -46.53 0.99 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 94.3 t -115.86 115.41 49.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.102 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.423 ' O ' ' CD1' ' A' ' 36' ' ' TRP . 18.4 pm0 -73.72 -25.24 60.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.2 m -53.33 -54.98 28.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -61.95 -37.9 86.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.873 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.402 ' NH1' ' HB3' ' A' ' 28' ' ' PRO . 40.2 ttt180 -54.44 -50.09 68.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.423 ' CD1' ' O ' ' A' ' 32' ' ' GLU . 12.8 m95 -60.96 -37.34 82.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.957 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -58.34 -42.72 87.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.516 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 31.0 mttm -62.64 -44.75 95.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 23.9 mt -65.04 -50.9 72.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.116 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.423 ' HB2' ' CA ' ' A' ' 47' ' ' THR . . . -51.68 -56.71 12.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.148 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -47.45 -35.74 8.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.913 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -71.88 -48.47 45.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.7 mt -49.29 -38.28 26.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 121.7 -70.84 0.4 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.487 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -103.39 -40.75 6.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.814 0.34 . . . . 0.0 110.866 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.496 ' CD ' ' CB ' ' A' ' 50' ' ' GLN . 9.9 mmt-85 -46.97 142.63 3.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.423 ' CA ' ' HB2' ' A' ' 40' ' ' ALA . 1.8 t -112.56 163.59 14.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.146 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -42.36 -38.11 1.75 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.104 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -60.91 -71.28 0.14 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.496 ' CB ' ' CD ' ' A' ' 46' ' ' ARG . 25.4 mm-40 -36.89 -46.33 0.62 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.928 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 96.7 t -66.03 -41.94 90.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 49' ' ' LYS . . . -58.22 -56.01 27.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.059 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 74.8 m -58.07 -46.74 84.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.482 ' NE2' ' CD1' ' A' ' 11' ' ' TRP . 5.9 tp60 -55.62 -50.73 69.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 86.6 t -50.2 -30.75 7.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.112 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -63.97 -54.35 35.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.904 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.4 ptpt -72.03 0.57 9.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.559 ' CE2' HD22 ' A' ' 19' ' ' LEU . 4.1 m-30 -102.28 -34.75 9.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -110.61 -61.46 1.67 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 53.1 mt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.149 179.958 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.558 ' CH2' ' HG3' ' A' ' 46' ' ' ARG . 19.7 m95 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.87 0.367 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.412 HG21 ' CD ' ' A' ' 15' ' ' GLU . 11.8 t -95.37 169.76 9.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.171 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.0 p -51.56 -45.33 35.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.149 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -55.09 -63.35 1.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.551 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 1.1 mp0 -53.77 -48.89 69.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -38.71 -67.31 0.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.66 -33.07 72.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.468 ' CG ' HD21 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -61.77 -31.61 71.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.876 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.2 tp -89.14 -43.7 10.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -55.29 -42.51 73.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -67.07 -50.31 62.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.462 HD21 ' CB ' ' A' ' 42' ' ' GLU . 47.2 mt -58.65 -43.41 89.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 46.0 mt -47.99 -42.37 27.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 23.5 mt -65.85 -52.3 51.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.099 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.4 tttp -55.57 -37.91 68.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.559 ' CE1' ' HB3' ' A' ' 38' ' ' LYS . 51.8 m-85 -104.51 93.15 5.56 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.714 0.769 . . . . 0.0 110.931 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.402 ' O ' ' OE2' ' A' ' 29' ' ' GLU . 54.1 Cg_endo -69.67 163.03 39.73 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.7 2.267 . . . . 0.0 112.364 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 125.19 11.86 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.685 2.256 . . . . 0.0 112.345 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.402 ' OE2' ' O ' ' A' ' 27' ' ' PRO . 2.1 pm0 -113.36 -174.86 2.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -48.61 -49.73 35.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.878 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.404 ' CG1' ' N ' ' A' ' 32' ' ' GLU . 18.6 t -109.07 151.46 11.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.162 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.594 ' O ' ' CD1' ' A' ' 36' ' ' TRP . 12.5 pt-20 -99.84 -30.52 11.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 40.9 t -48.84 -66.8 0.34 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.839 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.414 ' HB2' ' NZ ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -55.44 -42.33 74.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 55.6 ttt180 -52.9 -37.69 60.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.841 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.594 ' CD1' ' O ' ' A' ' 32' ' ' GLU . 15.2 m95 -72.7 -27.15 61.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -67.27 -42.49 83.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.893 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.559 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 37.0 mttp -63.07 -54.87 31.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 40.1 mt -57.59 -48.64 82.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.146 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -53.1 -57.38 10.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.094 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -39.16 -49.07 1.81 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.462 ' CB ' HD21 ' A' ' 22' ' ' LEU . 16.5 mm-40 -57.82 -56.63 19.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.468 HD21 ' CG ' ' A' ' 18' ' ' LYS . 13.8 mt -42.53 -50.91 5.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 93.35 -34.29 4.67 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.466 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -99.63 -59.74 1.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.821 0.343 . . . . 0.0 110.884 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.558 ' HG3' ' CH2' ' A' ' 11' ' ' TRP . 67.4 mmt-85 -64.84 167.29 7.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.554 ' CG2' ' NE2' ' A' ' 50' ' ' GLN . 13.0 t -127.57 165.15 20.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.121 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -43.14 -41.37 3.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -69.14 -70.37 0.28 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.554 ' NE2' ' CG2' ' A' ' 47' ' ' THR . 0.2 OUTLIER -40.52 -34.05 0.32 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 90.4 t -73.15 -40.57 58.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 49' ' ' LYS . . . -58.1 -47.05 84.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 11.5 m -61.48 -49.69 75.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.885 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 14.9 tp60 -51.0 -47.74 61.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.95 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.563 HG23 ' CZ3' ' A' ' 36' ' ' TRP . 76.5 t -53.52 -41.02 43.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.129 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -52.16 -51.14 59.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 45.2 mttt -83.81 21.74 1.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -121.18 -37.55 2.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.936 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.471 ' CD1' HG12 ' A' ' 55' ' ' VAL . 2.2 m-85 -106.05 -51.6 2.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.866 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 62.5 mt . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.153 179.968 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 t -38.57 -57.29 1.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.85 0.357 . . . . 0.0 110.888 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t 50.32 41.88 25.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.835 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.81 158.12 14.98 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.471 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -149.66 174.3 12.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.856 0.36 . . . . 0.0 110.899 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.0 m -88.13 177.13 6.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.47 136.35 2.29 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.479 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.431 ' OD1' ' C ' ' A' ' 8' ' ' ASN . 20.6 t-20 -68.38 -52.61 31.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.802 0.334 . . . . 0.0 110.835 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -131.9 40.82 3.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.94 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.5 mt -97.62 157.12 16.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.474 ' CH2' ' HG3' ' A' ' 46' ' ' ARG . 7.8 m95 -49.03 172.44 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.947 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 13' ' ' VAL . 6.2 t -120.25 142.15 49.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.132 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.445 ' C ' ' O ' ' A' ' 12' ' ' THR . 8.1 p -34.5 -46.28 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.183 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.443 ' N ' HG13 ' A' ' 13' ' ' VAL . 40.2 mt-10 -50.31 -54.47 21.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.43 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 66.3 mt-10 -71.17 -52.29 20.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 15' ' ' GLU . 77.2 mt-30 -36.4 -59.95 0.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.0 ptpt -59.75 -41.46 91.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.9 tttp -55.87 -59.45 4.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.418 HD21 ' CE2' ' A' ' 58' ' ' TYR . 37.1 tp -49.71 -59.03 4.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 19' ' ' LEU . 11.5 mt-10 -36.87 -48.62 0.76 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -66.07 -59.16 4.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.952 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 69.8 mt -45.82 -38.07 6.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 59.1 mt -52.65 -46.43 67.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 75.1 mt -66.28 -48.77 79.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.157 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.1 tttt -59.65 -34.98 73.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.568 ' CE1' ' HB3' ' A' ' 38' ' ' LYS . 50.6 m-85 -104.61 93.11 5.6 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.66 0.743 . . . . 0.0 110.925 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 170.0 17.59 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.634 2.223 . . . . 0.0 112.361 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 163.51 37.97 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.679 2.253 . . . . 0.0 112.381 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.454 ' N ' ' OE2' ' A' ' 29' ' ' GLU . 1.1 pm0 -157.54 178.51 10.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.932 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.467 ' HG3' ' N ' ' A' ' 31' ' ' VAL . 11.1 pt-20 -55.24 -46.33 76.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.467 ' N ' ' HG3' ' A' ' 30' ' ' GLU . 95.3 t -102.47 118.56 49.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.169 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.534 ' HG2' ' CZ2' ' A' ' 36' ' ' TRP . 10.8 tt0 -76.45 -27.42 56.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 25.2 m -62.87 -56.91 13.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.834 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.424 ' HG3' ' N ' ' A' ' 35' ' ' ARG . 6.7 ptm180 -54.26 -34.25 60.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.509 ' NE ' ' CZ3' ' A' ' 36' ' ' TRP . 39.3 ttt180 -58.97 -55.52 34.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.534 ' CZ2' ' HG2' ' A' ' 32' ' ' GLU . 11.1 m95 -58.52 -38.64 78.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.9 tp60 -54.98 -42.44 72.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.874 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.568 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 47.2 mtmt -62.77 -56.74 14.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.873 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 39.8 mt -54.2 -53.88 25.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.149 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.72 -48.05 40.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.062 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -49.26 -43.81 43.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.83 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -64.46 -48.52 74.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 28.7 mt -53.76 -46.3 70.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.949 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 85.2 -42.02 3.11 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.488 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -86.83 -50.12 6.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.864 0.364 . . . . 0.0 110.925 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.474 ' HG3' ' CH2' ' A' ' 11' ' ' TRP . 31.0 mmt-85 -75.29 167.41 21.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 48' ' ' ALA . 65.4 p -127.89 158.02 38.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.165 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 47' ' ' THR . . . -36.22 -55.98 0.77 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.053 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.8 mmtt -55.98 -66.13 0.48 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 40.0 mm-40 -41.11 -41.07 1.66 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 98.4 t -70.39 -40.86 78.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.178 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.49 -54.74 42.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.081 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 75.6 m -56.12 -45.06 79.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.458 ' HG3' ' CE1' ' A' ' 58' ' ' TYR . 10.7 tp60 -55.63 -46.74 77.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.941 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 97.6 t -53.26 -40.77 40.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.142 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.417 ' OE1' ' CD1' ' A' ' 60' ' ' ILE . 16.0 mm-40 -54.6 -50.27 68.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 29.0 mttm -83.23 20.45 1.28 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.458 ' CE1' ' HG3' ' A' ' 54' ' ' GLN . 2.7 m-85 -118.3 -37.4 3.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.404 ' CD1' ' N ' ' A' ' 59' ' ' PHE . 2.2 m-85 -105.09 -43.06 5.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.851 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.417 ' CD1' ' OE1' ' A' ' 56' ' ' GLN . 57.1 mt -70.72 -32.78 50.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.9 ttmt -82.38 39.45 0.6 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 76.5 mt -132.16 -33.06 1.34 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.447 ' O ' ' C ' ' A' ' 64' ' ' LYS . 6.1 t -66.7 72.22 0.09 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.168 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 63' ' ' THR . 32.0 ttpt 34.4 36.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.918 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 63' ' ' THR . . . 41.73 48.72 3.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.107 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -95.33 -28.05 10.16 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.515 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.474 ' CG2' ' HD2' ' A' ' 68' ' ' PRO . 63.4 mt -84.28 138.65 39.07 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.66 0.743 . . . . 0.0 111.131 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.474 ' HD2' ' CG2' ' A' ' 67' ' ' ILE . 53.9 Cg_endo -69.74 119.81 6.7 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.73 2.287 . . . . 0.0 112.319 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.426 HG12 ' N ' ' A' ' 70' ' ' SER . 7.4 p -103.01 -31.11 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.133 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.426 ' N ' HG12 ' A' ' 69' ' ' VAL . 3.7 t -145.87 165.71 28.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.846 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -141.3 -94.65 0.24 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.508 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 97.71 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.657 2.238 . . . . 0.0 112.314 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.7 t -143.56 175.67 9.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.855 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 9.2 t -160.46 177.53 10.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.498 -179.996 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.471 -0.251 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.8 m -110.02 123.67 50.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.877 0.37 . . . . 0.0 110.873 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.0 p -109.86 165.88 11.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.846 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.57 120.77 5.23 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.482 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.1 t -94.52 -60.85 1.62 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.86 0.362 . . . . 0.0 110.859 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 t -119.08 146.5 45.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.9 -48.08 22.54 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.516 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -48.33 148.34 1.95 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.751 0.31 . . . . 0.0 110.929 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.5 pp0? -41.39 145.28 0.27 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.5 mt -106.04 159.69 15.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.935 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.567 ' CH2' ' HG3' ' A' ' 46' ' ' ARG . 21.1 m95 -56.35 130.48 44.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.2 t -78.04 165.48 23.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.139 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.4 p -59.3 -37.6 70.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.115 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.414 ' HA ' ' CE ' ' A' ' 17' ' ' LYS . 46.0 mt-10 -63.54 -39.76 95.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -75.73 -49.73 17.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -47.84 -48.72 30.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.414 ' CE ' ' HA ' ' A' ' 14' ' ' GLU . 3.9 pttp -67.77 -49.87 60.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.466 ' CE ' ' HA ' ' A' ' 43' ' ' LEU . 4.8 ttpp -54.3 -63.68 1.07 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.543 HD21 ' CE2' ' A' ' 58' ' ' TYR . 25.8 tp -35.76 -53.45 0.72 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.935 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 -46.85 -51.58 16.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -61.04 -42.37 98.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 23' ' ' LEU . 10.6 mt -60.78 -57.17 13.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 22' ' ' LEU . 23.5 mt -34.43 -53.43 0.51 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 18.8 mt -66.07 -47.76 83.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.126 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.6 ttmt -46.09 -55.53 6.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -87.28 122.3 70.92 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.652 0.739 . . . . 0.0 110.939 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 151.37 68.95 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.682 2.254 . . . . 0.0 112.354 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 161.34 46.31 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.736 2.291 . . . . 0.0 112.308 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -162.87 158.77 22.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -46.17 -49.0 17.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 56.3 t -88.93 105.04 15.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.13 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.511 ' HB2' ' CE2' ' A' ' 36' ' ' TRP . 25.3 pm0 -79.66 -31.0 41.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.891 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.437 ' N ' ' HG2' ' A' ' 32' ' ' GLU . 12.4 p -51.99 -43.44 63.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 -179.777 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -74.43 -33.78 63.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 50.0 ttt180 -62.2 -48.44 80.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.511 ' CE2' ' HB2' ' A' ' 32' ' ' GLU . 9.3 m95 -59.74 -45.9 90.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 30.3 tp60 -47.33 -48.23 25.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.952 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 47.9 mttm -59.01 -49.96 75.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 49.7 mt -58.46 -53.59 44.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.163 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -46.11 -51.43 13.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.078 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -40.26 -51.28 2.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -59.46 -56.62 19.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.466 ' HA ' ' CE ' ' A' ' 18' ' ' LYS . 10.2 mt -49.2 -60.67 2.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 94.38 -37.76 3.32 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.474 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -83.58 -51.27 7.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.78 0.324 . . . . 0.0 110.888 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.567 ' HG3' ' CH2' ' A' ' 11' ' ' TRP . 14.0 mmp_? -84.63 158.99 20.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 48' ' ' ALA . 59.6 p -118.29 162.8 17.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 47' ' ' THR . . . -36.57 -59.1 0.69 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.126 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.402 ' O ' ' N ' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -54.46 -68.41 0.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -42.25 -34.03 0.71 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 97.0 t -71.99 -39.76 66.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.113 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 49' ' ' LYS . . . -54.69 -50.32 68.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 14.7 m -59.29 -42.5 91.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -58.76 -49.83 76.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.918 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 94.6 t -50.96 -34.21 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.14 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.2 mm100 -61.5 -46.02 91.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -84.11 24.63 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.543 ' CE2' HD21 ' A' ' 19' ' ' LEU . 3.1 m-85 -122.63 -35.63 3.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.954 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.401 ' CD1' ' N ' ' A' ' 59' ' ' PHE . 2.4 m-85 -108.63 -44.91 3.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.901 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.447 ' O ' ' N ' ' A' ' 62' ' ' LEU . 77.3 mt -70.38 -57.85 6.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.108 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 60' ' ' ILE . 18.2 ttpp -34.37 -35.22 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 60' ' ' ILE . 84.8 mt -45.72 -54.71 7.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 6.0 t -57.71 -31.48 66.45 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.125 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.449 ' O ' ' CD1' ' A' ' 67' ' ' ILE . 27.9 mtmm -165.37 139.59 4.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -88.71 -42.95 11.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.083 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -78.87 51.23 3.77 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.501 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.474 ' CG2' ' HD2' ' A' ' 68' ' ' PRO . 81.8 mt -94.24 138.47 22.5 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.603 0.716 . . . . 0.0 111.109 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.474 ' HD2' ' CG2' ' A' ' 67' ' ' ILE . 53.9 Cg_endo -69.77 127.63 14.86 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.648 2.232 . . . . 0.0 112.374 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.454 HG23 ' N ' ' A' ' 70' ' ' SER . 14.7 p -102.88 143.24 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.167 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.454 ' N ' HG23 ' A' ' 69' ' ' VAL . 52.3 p -53.79 -43.75 69.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 78.24 146.34 2.93 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.487 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 173.84 10.37 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.688 2.259 . . . . 0.0 112.311 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 47.5 p -94.13 -56.45 2.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 35.2 t -125.91 166.77 16.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.493 -179.942 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.4 p -137.45 131.4 31.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.865 0.364 . . . . 0.0 110.854 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 t -101.46 94.73 6.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.849 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.93 46.62 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.524 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 t -121.73 95.69 4.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.891 0.376 . . . . 0.0 110.837 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.2 p -71.19 -52.22 20.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.851 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.02 64.78 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.526 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -86.28 157.97 19.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.827 0.346 . . . . 0.0 110.885 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 17.4 tp60 -75.28 134.22 41.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.3 mt -96.94 154.98 16.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.544 ' CH2' ' HG3' ' A' ' 46' ' ' ARG . 30.0 m95 -70.49 147.59 49.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.2 t -110.51 154.0 24.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.144 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.2 p -38.36 -45.39 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.152 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -57.43 -49.58 75.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -67.01 -55.55 13.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -37.77 -58.01 0.94 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.25 -42.35 99.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.5 tttt -53.36 -58.55 6.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.907 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 17.5 tp -50.7 -45.79 58.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.433 ' O ' ' CD1' ' A' ' 24' ' ' ILE . 29.4 mm-40 -52.71 -54.91 27.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.853 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -59.4 -54.85 41.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.2 mt -47.97 -49.42 30.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 23.3 mt -40.88 -50.94 3.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.944 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.433 ' CD1' ' O ' ' A' ' 20' ' ' GLU . 5.3 mp -71.17 -45.93 68.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -44.48 -45.15 9.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -98.85 124.53 45.46 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.653 0.739 . . . . 0.0 110.941 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 154.5 67.61 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.66 2.24 . . . . 0.0 112.337 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 154.64 67.58 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.673 2.248 . . . . 0.0 112.35 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -151.21 162.19 41.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -55.31 -48.4 74.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 63.7 t -89.06 84.66 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.091 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.493 ' HB2' ' CE2' ' A' ' 36' ' ' TRP . 1.7 pm0 -53.33 -34.46 57.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.438 ' N ' ' HG2' ' A' ' 32' ' ' GLU . 14.5 t -42.51 -54.77 3.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.8 mtp180 -58.25 -57.02 14.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.882 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 64.4 ttt180 -40.72 -46.88 2.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.493 ' CE2' ' HB2' ' A' ' 32' ' ' GLU . 8.3 m95 -65.66 -43.73 88.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -54.62 -44.4 73.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 72.0 mttt -63.45 -55.62 22.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 34.5 mt -55.0 -53.39 34.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.073 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.426 ' HB2' ' CA ' ' A' ' 47' ' ' THR . . . -51.13 -50.24 59.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.111 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -42.58 -58.13 2.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.857 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -47.32 -55.88 7.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.431 ' CD1' ' HB2' ' A' ' 46' ' ' ARG . 67.7 mt -47.45 -46.49 26.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 89.17 -43.77 3.07 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.495 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -86.35 -44.88 11.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.866 0.365 . . . . 0.0 110.921 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.544 ' HG3' ' CH2' ' A' ' 11' ' ' TRP . 2.8 mmp_? -74.94 173.58 10.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.441 ' O ' ' C ' ' A' ' 48' ' ' ALA . 58.4 p -142.94 157.41 44.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.109 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 47' ' ' THR . . . -34.09 -52.93 0.47 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.114 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.409 ' O ' ' N ' ' A' ' 52' ' ' ALA . 8.9 mmtp -58.85 -70.04 0.17 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.873 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 54.3 mm-40 -40.04 -35.92 0.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.963 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 86.6 t -72.68 -42.99 62.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.158 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 49' ' ' LYS . . . -57.01 -49.44 75.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.108 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 74.0 m -65.05 -28.9 69.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.441 ' O ' ' CD1' ' A' ' 58' ' ' TYR . 14.3 tp60 -77.29 -39.72 47.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.945 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.415 HG13 ' CH2' ' A' ' 36' ' ' TRP . 81.5 t -70.28 -46.88 69.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.474 ' HG3' ' N ' ' A' ' 57' ' ' LYS . 11.4 pt20 -52.55 -36.67 56.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.474 ' N ' ' HG3' ' A' ' 56' ' ' GLN . 75.1 mttt -91.49 21.74 4.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.441 ' CD1' ' O ' ' A' ' 54' ' ' GLN . 2.6 m-85 -119.79 -37.43 3.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.427 ' CD1' ' N ' ' A' ' 59' ' ' PHE . 1.9 m-85 -103.26 -38.32 7.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.86 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 28.3 mt -66.53 -33.48 63.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.136 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.405 ' O ' ' CD1' ' A' ' 67' ' ' ILE . 27.7 tttp -64.13 -36.72 84.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.421 HD13 ' C ' ' A' ' 62' ' ' LEU . 4.0 pp -88.8 26.56 1.5 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.927 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.401 ' CG2' ' O ' ' A' ' 63' ' ' THR . 30.0 m -124.9 38.52 4.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.166 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -173.33 129.99 0.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -89.49 127.9 35.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.062 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.44 ' O ' ' C ' ' A' ' 67' ' ' ILE . . . 122.52 -33.39 4.15 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.508 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.445 ' CG2' ' HD2' ' A' ' 68' ' ' PRO . 86.8 mt -34.96 137.84 0.37 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.592 0.71 . . . . 0.0 111.155 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.445 ' HD2' ' CG2' ' A' ' 67' ' ' ILE . 54.0 Cg_endo -69.78 167.74 23.6 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.662 2.241 . . . . 0.0 112.321 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 96.3 t -98.42 122.32 49.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.146 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 37.1 m -134.98 127.37 30.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 113.45 154.16 11.36 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.496 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 94.78 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.67 2.247 . . . . 0.0 112.336 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.1 t -43.51 -45.68 6.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 20.3 m 50.04 42.18 24.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.812 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 -179.998 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.511 -0.235 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.424 ' HB2' ' CB ' ' A' ' 65' ' ' ALA . 1.2 t -93.95 177.19 6.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.882 0.372 . . . . 0.0 110.87 -179.736 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.7 p -128.59 118.26 22.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.46 43.58 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.464 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.6 m -120.97 95.17 4.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.877 0.37 . . . . 0.0 110.822 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.2 p -134.8 153.99 51.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.809 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.91 -158.03 19.3 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.452 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -118.04 -61.3 1.7 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.784 0.326 . . . . 0.0 110.905 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -100.62 42.29 1.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.1 tt -47.02 145.43 2.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.918 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.516 ' CE2' ' HD2' ' A' ' 46' ' ' ARG . 10.7 m0 -63.66 171.23 2.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.902 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 13' ' ' VAL . 6.1 t -118.32 148.26 42.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.136 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.443 ' C ' ' O ' ' A' ' 12' ' ' THR . 78.1 t -33.86 -49.27 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.145 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -53.13 -61.46 2.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.938 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.58 -41.48 77.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -49.01 -66.39 0.41 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -59.53 -40.63 87.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 50.3 tttp -54.97 -43.27 73.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.625 ' CD2' ' CE2' ' A' ' 58' ' ' TYR . 25.5 tp -64.25 -60.1 3.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 19' ' ' LEU . 25.5 mt-10 -36.51 -44.18 0.43 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.872 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 -64.69 -59.69 3.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.988 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.8 mt -44.31 -49.91 9.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.9 mt -38.69 -47.96 1.42 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 18.9 mt -66.73 -53.14 37.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.152 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.2 ttmt -49.84 -41.11 44.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.415 ' HA ' ' HD2' ' A' ' 27' ' ' PRO . 62.8 m-85 -100.69 99.6 10.53 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.657 0.741 . . . . 0.0 110.934 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 26' ' ' TYR . 54.0 Cg_endo -69.8 170.04 17.56 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.662 2.241 . . . . 0.0 112.355 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 167.12 25.37 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.676 2.251 . . . . 0.0 112.344 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.542 ' N ' ' CD ' ' A' ' 29' ' ' GLU . 0.8 OUTLIER -156.4 -179.04 7.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.838 -179.925 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -63.78 -41.78 97.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 44.5 t -98.18 114.22 35.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.125 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.488 ' O ' ' NE1' ' A' ' 36' ' ' TRP . 6.4 tp10 -82.31 39.31 0.58 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 27.6 t -128.36 -55.11 1.26 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 -55.07 -31.72 61.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.858 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.429 ' HB2' ' CD ' ' A' ' 29' ' ' GLU . 65.0 ttt180 -61.44 -43.58 98.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.53 ' CZ3' HG23 ' A' ' 55' ' ' VAL . 12.2 m95 -68.42 -42.94 78.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.939 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 21.7 tp60 -55.09 -52.77 62.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.907 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 33.5 mtmt -54.34 -55.77 25.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 39.8 mt -54.63 -47.07 73.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.129 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.4 ' HB3' ' CA ' ' A' ' 47' ' ' THR . . . -49.99 -54.0 22.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.086 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -51.22 -43.79 61.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.868 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -63.84 -45.47 89.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.436 ' CD1' HG23 ' A' ' 51' ' ' VAL . 32.5 mt -51.32 -38.75 54.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.945 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 124.34 -80.53 0.36 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.51 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -99.9 -33.48 10.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.827 0.346 . . . . 0.0 110.896 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.516 ' HD2' ' CE2' ' A' ' 11' ' ' TRP . 15.4 mmp_? -49.88 145.63 5.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.427 ' O ' ' C ' ' A' ' 48' ' ' ALA . 19.7 p -115.35 161.27 18.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 47' ' ' THR . . . -35.12 -53.31 0.6 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.112 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 50' ' ' GLN . 8.9 mmtp -56.97 -70.0 0.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' A' ' 49' ' ' LYS . 92.0 mm-40 -37.04 -38.18 0.18 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.901 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.436 HG23 ' CD1' ' A' ' 43' ' ' LEU . 67.8 t -74.04 -47.97 40.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.67 -44.18 85.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 t -72.43 -11.88 60.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 10.0 tp60 -90.41 -28.89 18.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.907 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.53 HG23 ' CZ3' ' A' ' 36' ' ' TRP . 90.9 t -74.81 -45.73 43.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.168 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.47 ' HG3' ' N ' ' A' ' 57' ' ' LYS . 18.1 pt20 -41.95 -46.42 4.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.949 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.47 ' N ' ' HG3' ' A' ' 56' ' ' GLN . 55.7 mttt -75.82 -48.63 20.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.625 ' CE2' ' CD2' ' A' ' 19' ' ' LEU . 3.6 m-30 -41.28 -24.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.446 ' N ' ' O ' ' A' ' 57' ' ' LYS . 1.9 m-85 -116.09 -39.26 3.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.831 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.463 ' CG1' ' O ' ' A' ' 56' ' ' GLN . 30.1 mt -85.8 25.02 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.155 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.42 ' C ' ' HD3' ' A' ' 61' ' ' LYS . 1.3 tmtp? -127.8 -29.31 2.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.413 ' C ' HD11 ' A' ' 62' ' ' LEU . 4.6 pp -79.4 10.71 3.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.894 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 9.0 t -81.78 40.13 0.58 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 65' ' ' ALA . 33.3 mmtp 53.22 33.19 14.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.867 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.424 ' CB ' ' HB2' ' A' ' 2' ' ' SER . . . 34.52 43.51 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.135 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -107.54 36.33 4.46 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.471 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.473 ' CG2' ' HD2' ' A' ' 68' ' ' PRO . 86.2 mt -151.29 138.66 12.21 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.642 0.734 . . . . 0.0 111.11 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.473 ' HD2' ' CG2' ' A' ' 67' ' ' ILE . 53.3 Cg_endo -69.79 124.25 10.89 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.656 2.237 . . . . 0.0 112.324 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 90.9 t -92.39 -60.53 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.179 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.6 t -98.05 145.89 26.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.833 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 159.83 83.08 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.512 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 92.03 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.651 2.234 . . . . 0.0 112.355 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 28.9 t -88.92 -49.68 6.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.0 t -140.49 168.06 20.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.516 -179.988 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 t -85.15 42.09 0.92 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.847 0.356 . . . . 0.0 110.852 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 t -155.98 125.46 6.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.96 146.63 9.43 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.531 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 t -105.22 135.25 46.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.789 0.328 . . . . 0.0 110.853 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.6 p -154.53 143.03 20.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.64 52.27 0.7 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.488 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 37.1 m-20 -151.29 118.72 6.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.74 0.305 . . . . 0.0 110.917 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -41.92 128.12 3.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.946 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 12.5 mt -70.15 157.76 37.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.568 ' CH2' ' HG3' ' A' ' 46' ' ' ARG . 7.0 m95 -45.59 148.68 0.68 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.2 t -100.96 148.62 24.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.127 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 97.1 t -41.55 -53.66 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.166 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -42.09 -36.09 1.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.85 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 18' ' ' LYS . 39.7 mt-10 -91.26 -54.26 4.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -46.66 -29.28 1.78 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.951 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.6 ptmt -86.04 -25.87 25.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 15' ' ' GLU . 26.7 tttp -79.23 -47.83 15.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.468 HD21 ' CE2' ' A' ' 58' ' ' TYR . 31.8 tp -56.26 -57.54 11.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.937 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -43.35 -38.16 2.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -76.68 -55.23 5.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 23.1 mt -50.03 -33.08 17.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 28.9 mt -55.03 -42.8 73.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 22.9 mt -72.14 -50.12 38.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.476 ' HD2' ' CE2' ' A' ' 26' ' ' TYR . 2.9 tmtm? -55.27 -41.21 71.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.56 ' CE1' ' HB3' ' A' ' 38' ' ' LYS . 53.4 m-85 -104.91 92.23 5.05 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.677 0.751 . . . . 0.0 110.954 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 169.51 18.8 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.661 2.24 . . . . 0.0 112.368 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 162.23 42.89 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.685 2.257 . . . . 0.0 112.316 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -154.85 -177.08 6.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -59.99 -47.31 86.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.899 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 83.2 t -102.35 100.04 9.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.124 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.422 ' HG2' ' N ' ' A' ' 33' ' ' SER . 0.7 OUTLIER -60.67 -35.54 76.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.422 ' N ' ' HG2' ' A' ' 32' ' ' GLU . 6.9 p -44.37 -48.24 9.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.84 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.3 mtp180 -66.69 -46.44 75.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.859 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 45.4 ttt180 -45.74 -46.63 15.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 16.1 m95 -72.35 -28.04 62.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -70.49 -49.51 47.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.91 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.56 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 65.9 mttt -54.68 -43.33 72.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 26.4 mt -67.64 -51.97 45.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.12 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.8 -53.72 18.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.128 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -42.32 -57.61 2.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -50.34 -50.38 51.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 26.6 mt -56.52 -46.5 80.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 80.98 -41.73 2.63 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.522 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -82.57 -45.31 14.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.807 0.337 . . . . 0.0 110.895 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.568 ' HG3' ' CH2' ' A' ' 11' ' ' TRP . 11.7 mmp_? -85.67 164.87 17.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 48' ' ' ALA . 10.4 p -125.43 157.61 36.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.168 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 47' ' ' THR . . . -36.29 -47.91 0.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.09 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.21 -64.76 0.8 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -46.04 -33.38 3.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.884 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 63.3 t -75.83 -39.35 38.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.167 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.7 -46.05 89.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.082 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 30.6 p -65.54 -45.42 83.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -56.62 -43.94 80.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 90.9 t -56.03 -38.44 53.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.133 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 34.2 mm-40 -56.94 -47.46 80.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.4 mtpp -84.72 16.78 3.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.468 ' CE2' HD21 ' A' ' 19' ' ' LEU . 2.9 m-30 -116.69 -13.45 10.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -132.28 -52.48 0.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 71.8 mt -58.12 -42.82 84.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.129 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 64.8 tttt -60.9 -33.46 73.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.21 48.65 0.89 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.91 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 14.4 t -97.31 152.66 18.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.195 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.4 ttpm? -129.46 -63.52 0.93 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -170.49 159.77 7.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.1 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 139.6 -39.21 1.55 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.437 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.471 ' CG2' ' HD2' ' A' ' 68' ' ' PRO . 5.3 mp -73.7 138.53 77.06 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.577 0.704 . . . . 0.0 111.15 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.471 ' HD2' ' CG2' ' A' ' 67' ' ' ILE . 53.6 Cg_endo -69.78 117.77 5.28 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.635 2.224 . . . . 0.0 112.339 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 99.0 t -76.13 -49.2 26.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.134 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.459 ' O ' ' C ' ' A' ' 71' ' ' GLY . 6.4 t -102.62 80.26 1.9 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.459 ' C ' ' O ' ' A' ' 70' ' ' SER . . . -32.9 96.38 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.467 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.426 ' N ' ' O ' ' A' ' 70' ' ' SER . 53.2 Cg_endo -69.79 143.92 52.23 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.67 2.247 . . . . 0.0 112.38 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 12.0 t -158.39 179.51 9.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 16.4 t -54.14 100.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.857 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.382 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.496 -179.999 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.456 -0.257 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.1 m -41.6 150.99 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.916 0.389 . . . . 0.0 110.844 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.5 p -158.19 164.64 36.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.859 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.71 135.76 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.491 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m -111.78 92.19 3.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.909 0.385 . . . . 0.0 110.871 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.1 m -73.04 -51.89 16.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.873 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.59 -167.67 37.86 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.506 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -76.97 -39.0 52.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.78 0.324 . . . . 0.0 110.876 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -85.78 36.83 0.68 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.465 HD21 ' N ' ' A' ' 11' ' ' TRP . 2.1 tt -46.92 145.42 2.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.566 ' CZ2' ' HD2' ' A' ' 46' ' ' ARG . 55.8 m95 -37.1 116.26 0.44 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 13' ' ' VAL . 14.6 t -88.92 152.99 21.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.152 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.428 ' C ' ' O ' ' A' ' 12' ' ' THR . 9.3 p -35.71 -47.48 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.122 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -51.43 -52.43 46.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -69.45 -47.97 62.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -41.71 -53.35 3.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.468 ' HG3' ' N ' ' A' ' 18' ' ' LYS . 16.6 pttp -71.75 -35.26 70.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.468 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 1.2 tmtp? -59.1 -62.12 2.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.921 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.9 tp -47.62 -47.31 28.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.939 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -49.72 -48.73 49.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -62.73 -41.53 99.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.462 HD12 ' CD ' ' A' ' 18' ' ' LYS . 22.9 mt -62.44 -51.17 68.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 56.5 mt -38.64 -52.56 1.65 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 29.2 mt -61.49 -46.97 95.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.106 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.4 tttt -56.29 -43.25 78.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.56 ' CE1' ' HB3' ' A' ' 38' ' ' LYS . 60.2 m-85 -105.51 93.22 6.77 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.677 0.751 . . . . 0.0 110.895 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 170.04 17.6 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.633 2.222 . . . . 0.0 112.333 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 113.89 3.53 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.657 2.238 . . . . 0.0 112.342 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -104.61 163.45 12.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.423 ' HG3' ' N ' ' A' ' 31' ' ' VAL . 10.0 pt-20 -38.22 -44.23 0.84 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.423 ' N ' ' HG3' ' A' ' 30' ' ' GLU . 27.3 t -104.09 94.95 3.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.11 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.483 ' HG2' ' CE2' ' A' ' 36' ' ' TRP . 17.5 tt0 -49.8 -45.29 49.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 43.6 t -46.58 -51.01 16.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 47.4 mtt-85 -55.43 -49.29 72.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.888 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 48.1 ttt180 -45.94 -52.63 11.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.483 ' CE2' ' HG2' ' A' ' 32' ' ' GLU . 12.4 m95 -59.1 -46.2 88.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -51.17 -46.27 62.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.917 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.56 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 38.9 mttm -60.59 -46.84 88.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 73.4 mt -59.77 -56.47 17.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.167 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 41' ' ' ASP . . . -52.24 -58.0 7.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.126 179.771 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 40' ' ' ALA . 10.5 t0 -35.38 -54.95 0.66 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -56.74 -49.53 74.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.4 mt -56.54 -44.07 80.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.56 -42.12 2.39 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.452 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 40.0 t-20 -78.52 -47.04 18.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.784 0.326 . . . . 0.0 110.878 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.566 ' HD2' ' CZ2' ' A' ' 11' ' ' TRP . 7.2 mmt-85 -85.44 169.02 14.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 48' ' ' ALA . 58.6 p -125.93 157.53 37.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 47' ' ' THR . . . -37.27 -55.48 1.01 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 52' ' ' ALA . 8.4 mmtp -56.41 -66.95 0.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.932 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 41.8 mm-40 -39.22 -39.88 0.67 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 97.2 t -68.91 -42.15 82.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 49' ' ' LYS . . . -57.19 -50.88 71.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.146 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 18.1 m -57.76 -47.55 82.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.532 ' HG3' ' CE1' ' A' ' 58' ' ' TYR . 7.4 tp60 -55.83 -40.16 72.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 94.9 t -56.17 -45.44 80.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.142 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -48.07 -50.92 26.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.11 24.2 0.96 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.532 ' CE1' ' HG3' ' A' ' 54' ' ' GLN . 3.6 m-85 -124.72 -35.06 2.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.92 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.419 ' CD1' ' N ' ' A' ' 59' ' ' PHE . 2.1 m-85 -109.63 -50.3 3.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.906 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 69.4 mt -62.52 -39.34 84.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.136 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.1 ttpt -53.2 -42.13 65.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.9 mt -65.2 -63.13 1.18 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 64' ' ' LYS . 23.1 p -43.44 141.26 1.42 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.1 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' 65' ' ' ALA . 48.1 mtmt 34.64 49.59 0.37 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 64' ' ' LYS . . . -34.42 150.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.11 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 96.72 42.63 3.31 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.473 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 4.5 mp -94.34 129.68 36.23 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.6 0.714 . . . . 0.0 111.147 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 120.79 7.52 Favored 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.712 2.275 . . . . 0.0 112.324 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 86.1 t -93.37 145.95 7.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.112 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 59.9 p -120.08 117.31 27.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.827 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -176.65 84.01 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.498 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 86.47 0.58 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.632 2.221 . . . . 0.0 112.36 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 11.5 t -64.8 -44.91 88.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.5 t -169.89 163.19 9.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.464 179.963 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.0 m 46.81 42.29 11.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.867 0.365 . . . . 0.0 110.846 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 t 52.47 41.84 31.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.19 -78.74 0.27 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.437 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 t -52.57 150.74 4.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.816 0.341 . . . . 0.0 110.899 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.7 t -86.58 -62.16 1.57 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.841 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.13 43.31 1.74 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.51 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 31.2 m120 40.91 40.94 1.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.777 0.322 . . . . 0.0 110.873 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -89.44 42.15 1.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.938 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 12.6 mt -101.71 168.76 9.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.933 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.561 ' CD1' ' NE2' ' A' ' 54' ' ' GLN . 11.1 m95 -38.35 155.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.405 ' O ' ' N ' ' A' ' 15' ' ' GLU . 12.3 t -105.19 149.13 26.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.193 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.455 HG13 ' N ' ' A' ' 14' ' ' GLU . 7.7 p -38.63 -44.58 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.142 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.455 ' N ' HG13 ' A' ' 13' ' ' VAL . 15.7 mt-10 -52.36 -42.94 64.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.473 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 48.1 mt-10 -81.83 -36.09 28.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.904 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -48.03 -65.06 0.63 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.1 pttt -51.9 -44.29 63.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.449 ' CD ' HD21 ' A' ' 43' ' ' LEU . 0.2 OUTLIER -56.79 -67.11 0.34 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.905 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.559 HD23 ' CE2' ' A' ' 58' ' ' TYR . 40.8 tp -45.72 -54.63 7.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -48.96 -53.29 20.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -61.41 -61.44 2.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.931 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 87.8 mt -46.29 -40.19 11.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 27.0 mt -53.82 -48.24 70.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 43.6 mt -69.76 -42.24 80.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 43.6 tttp -64.31 -31.61 72.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.466 ' CE1' ' HB3' ' A' ' 38' ' ' LYS . 39.3 m-85 -102.06 97.65 8.74 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.685 0.755 . . . . 0.0 110.919 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 26' ' ' TYR . 53.7 Cg_endo -69.77 170.08 17.42 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.674 2.249 . . . . 0.0 112.386 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 164.47 34.39 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.725 2.283 . . . . 0.0 112.353 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.437 ' CD ' ' N ' ' A' ' 29' ' ' GLU . 1.5 pm0 -154.55 -175.36 5.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -60.24 -50.65 72.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.1 t -98.02 134.56 35.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.116 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.59 ' O ' ' CD1' ' A' ' 36' ' ' TRP . 37.0 tt0 -89.34 -1.05 57.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.7 t -96.7 -27.19 14.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.842 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.466 ' HD2' ' N ' ' A' ' 34' ' ' ARG . 0.6 OUTLIER -77.68 -26.06 49.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.889 -179.944 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.421 ' HB2' ' CD ' ' A' ' 29' ' ' GLU . 67.7 ttt180 -69.12 -44.84 71.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.59 ' CD1' ' O ' ' A' ' 32' ' ' GLU . 12.4 m95 -67.06 -42.6 84.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.916 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -50.97 -40.31 57.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.94 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.466 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 38.5 mttm -69.89 -59.55 2.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 67.9 mt -47.36 -43.65 8.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.093 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.25 -49.41 77.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.087 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -45.62 -47.13 14.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -59.03 -45.66 90.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.449 HD21 ' CD ' ' A' ' 18' ' ' LYS . 9.7 mt -60.56 -58.05 10.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 98.81 -38.97 2.89 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.525 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -93.35 -45.09 7.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.803 0.335 . . . . 0.0 110.896 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 77.3 mmt-85 -77.09 167.02 22.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 40.5 p -129.3 163.47 25.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.13 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -39.11 -51.32 1.89 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.485 ' O ' ' N ' ' A' ' 52' ' ' ALA . 10.8 mmmt -61.08 -71.28 0.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -38.46 -29.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 49' ' ' LYS . 91.3 t -78.64 -42.25 25.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.155 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.485 ' N ' ' O ' ' A' ' 49' ' ' LYS . . . -61.67 -49.87 74.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.104 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.4 t -53.47 -38.5 63.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.561 ' NE2' ' CD1' ' A' ' 11' ' ' TRP . 9.5 tp60 -65.56 -52.05 55.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.912 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.531 HG23 ' CZ3' ' A' ' 36' ' ' TRP . 95.8 t -52.47 -36.11 21.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.161 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -55.41 -50.07 70.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.948 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.3 mttp -82.49 18.13 1.57 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.559 ' CE2' HD23 ' A' ' 19' ' ' LEU . 2.8 m-85 -114.21 -39.26 3.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -103.11 -44.13 5.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 56.6 mt -68.2 -53.36 29.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.142 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 62' ' ' LEU . 40.3 tttt -41.02 -34.96 0.47 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 61' ' ' LYS . 36.2 mt -37.17 -50.17 0.94 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.951 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 14.7 t -45.83 159.27 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.6 tppt? -111.12 -42.74 3.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.66 -45.13 84.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.111 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -80.48 51.17 4.17 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.498 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.471 ' CG2' ' HD2' ' A' ' 68' ' ' PRO . 47.7 mm -124.19 138.45 30.82 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.668 0.747 . . . . 0.0 111.117 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.471 ' HD2' ' CG2' ' A' ' 67' ' ' ILE . 53.9 Cg_endo -69.74 153.34 69.16 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.679 2.253 . . . . 0.0 112.372 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 9.4 p -123.75 133.33 69.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.2 t -138.25 168.47 19.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -120.82 83.37 0.36 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.494 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 89.54 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.714 2.276 . . . . 0.0 112.346 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 26.7 t -41.44 -53.93 3.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 79.7 p -148.4 144.72 27.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.852 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.51 179.994 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.5 m 61.24 42.22 12.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.923 0.392 . . . . 0.0 110.89 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 t -90.86 42.19 1.09 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.873 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.54 -92.89 0.78 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.487 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.7 p 39.34 41.79 0.72 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.859 0.362 . . . . 0.0 110.899 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.4 p -109.21 142.73 39.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.31 88.16 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.429 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 46.7 t-20 -62.42 -57.6 10.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.756 0.312 . . . . 0.0 110.899 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 22.7 mp0 -74.83 -4.37 37.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.953 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.6 mp -96.05 169.24 10.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.559 ' CH2' ' HG3' ' A' ' 46' ' ' ARG . 40.9 m95 -74.02 126.23 30.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.7 t -93.92 158.6 15.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.131 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.3 p -45.14 -47.36 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.094 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -52.59 -48.33 66.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 16' ' ' GLN . 46.6 mt-10 -68.82 -55.47 11.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 15' ' ' GLU . 47.9 mt-30 -36.84 -61.91 0.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.44 ' HG3' ' N ' ' A' ' 18' ' ' LYS . 13.3 ptpt -55.67 -49.65 72.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.44 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 21.1 tttp -50.56 -59.35 4.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.495 HD21 ' CZ3' ' A' ' 11' ' ' TRP . 24.3 tp -54.38 -66.8 0.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.959 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 19' ' ' LEU . 69.1 mt-10 -35.54 -40.59 0.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 24.2 mm-40 -70.18 -52.28 24.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 24.9 mt -57.9 -50.83 72.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.405 ' HG ' ' CD1' ' A' ' 19' ' ' LEU . 15.9 mt -41.53 -44.91 3.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 44.3 mt -77.76 -39.78 26.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.531 ' CD ' ' CD2' ' A' ' 26' ' ' TYR . 1.4 tmtp? -53.87 -44.64 70.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.888 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.531 ' CD2' ' CD ' ' A' ' 25' ' ' LYS . 54.6 m-85 -91.55 120.23 68.28 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.698 0.761 . . . . 0.0 110.919 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 155.43 65.81 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.666 2.244 . . . . 0.0 112.333 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 172.03 13.44 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.707 2.272 . . . . 0.0 112.333 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.416 ' CD ' ' HD2' ' A' ' 34' ' ' ARG . 5.3 pt-20 -162.91 173.34 13.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.429 ' CD ' HG21 ' A' ' 31' ' ' VAL . 0.8 OUTLIER -50.59 -47.55 58.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.429 HG21 ' CD ' ' A' ' 30' ' ' GLU . 69.2 t -104.56 113.42 41.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.143 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -72.72 -31.04 64.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.2 t -53.07 -48.43 67.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.425 ' NH1' ' HB ' ' A' ' 31' ' ' VAL . 6.5 ptp85 -66.1 -28.18 68.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 55.8 ttt180 -69.04 -44.05 73.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.556 ' CH2' HG12 ' A' ' 55' ' ' VAL . 13.3 m95 -63.55 -36.4 83.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.419 ' N ' ' HB1' ' A' ' 48' ' ' ALA . 5.3 tp-100 -57.3 -48.25 79.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.939 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.1 mttt -58.74 -46.54 87.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.929 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 62.7 mt -62.0 -44.46 98.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.434 ' O ' ' C ' ' A' ' 41' ' ' ASP . . . -55.09 -56.4 20.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.084 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 40' ' ' ALA . 4.1 t70 -34.54 -59.45 0.46 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.887 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -52.45 -50.25 63.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.8 mt -56.85 -41.85 78.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.933 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 75.7 -46.92 2.07 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.522 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -74.46 -50.59 17.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.788 0.328 . . . . 0.0 110.912 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.559 ' HG3' ' CH2' ' A' ' 11' ' ' TRP . 8.1 mmt180 -85.14 157.35 20.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.841 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.488 ' O ' ' N ' ' A' ' 49' ' ' LYS . 38.6 p -119.12 156.3 30.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.419 ' HB1' ' N ' ' A' ' 37' ' ' GLN . . . -38.18 -26.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.113 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 47' ' ' THR . 0.1 OUTLIER -81.04 -67.34 0.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -47.0 -31.79 3.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.893 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 98.1 t -69.94 -42.05 79.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.68 -47.36 82.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.083 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 93.1 p -55.76 -46.9 77.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.826 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -62.76 -43.66 98.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.93 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.556 HG12 ' CH2' ' A' ' 36' ' ' TRP . 91.2 t -51.69 -32.85 14.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.127 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.419 ' CD ' HD12 ' A' ' 60' ' ' ILE . 12.2 mm100 -58.27 -43.24 87.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -90.19 18.81 5.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -119.1 -24.64 6.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.426 ' CD1' ' N ' ' A' ' 59' ' ' PHE . 1.9 m-85 -120.9 -44.8 2.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.419 HD12 ' CD ' ' A' ' 56' ' ' GLN . 20.8 mt -76.16 -15.03 15.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.168 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 33.2 tttp -75.25 -42.32 55.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.865 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.412 HD11 ' C ' ' A' ' 62' ' ' LEU . 2.4 pp -74.47 -38.91 62.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.87 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 29.3 p -47.29 126.54 9.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.109 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.8 mtmt -52.34 -62.28 1.74 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.931 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -87.63 141.97 28.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 110.27 39.0 1.56 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.491 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.466 ' CG2' ' HD2' ' A' ' 68' ' ' PRO . 82.9 mt -149.45 138.35 12.43 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.6 0.714 . . . . 0.0 111.161 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.466 ' HD2' ' CG2' ' A' ' 67' ' ' ILE . 53.8 Cg_endo -69.76 -173.29 0.69 Allowed 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.701 2.267 . . . . 0.0 112.306 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.409 HG13 ' N ' ' A' ' 70' ' ' SER . 88.4 t -138.41 139.55 41.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.1 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.409 ' N ' HG13 ' A' ' 69' ' ' VAL . 33.5 t -172.2 139.91 1.11 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -114.95 -179.51 18.62 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.472 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -45.09 1.68 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.694 2.263 . . . . 0.0 112.33 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 59.7 p -110.36 164.42 12.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.841 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 20.5 t -88.21 107.84 18.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.86 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.492 -179.983 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.5 m -143.06 173.0 11.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.84 0.352 . . . . 0.0 110.9 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.5 m -104.08 -62.29 1.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.845 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.18 120.98 2.12 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.463 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -140.41 163.68 32.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.832 0.349 . . . . 0.0 110.897 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.9 m -138.27 175.37 9.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.846 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.51 -125.1 1.19 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.502 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -133.16 -47.78 0.85 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.813 0.339 . . . . 0.0 110.899 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -133.15 80.8 1.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.6 mt -98.14 169.69 9.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.566 ' CZ3' ' HB3' ' A' ' 15' ' ' GLU . 12.6 m95 -62.58 179.12 0.36 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.446 ' O ' ' C ' ' A' ' 13' ' ' VAL . 8.9 t -140.31 148.39 41.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.157 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.446 ' C ' ' O ' ' A' ' 12' ' ' THR . 77.3 t -33.08 -45.29 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.171 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.497 ' O ' ' CB ' ' A' ' 18' ' ' LYS . 14.1 mt-10 -48.91 -68.42 0.18 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.566 ' HB3' ' CZ3' ' A' ' 11' ' ' TRP . 48.7 mm-40 -61.94 -37.36 84.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.856 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -45.47 -70.2 0.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.41 ' NZ ' ' HA ' ' A' ' 14' ' ' GLU . 8.4 pttm -72.63 -44.23 62.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.497 ' CB ' ' O ' ' A' ' 14' ' ' GLU . 54.4 tttt -50.39 -31.13 13.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.907 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.47 HD21 ' CZ3' ' A' ' 11' ' ' TRP . 9.4 tp -75.96 -56.51 4.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -43.67 -43.39 5.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.881 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -63.16 -50.01 72.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.429 HD23 ' CB ' ' A' ' 42' ' ' GLU . 27.1 mt -53.64 -50.13 66.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 21.1 mt -42.02 -45.43 3.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 37.1 mt -66.07 -43.43 92.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.104 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 64.8 tttt -59.68 -44.76 93.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.895 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.461 ' CE1' ' HB3' ' A' ' 38' ' ' LYS . 68.1 m-85 -97.02 103.53 15.45 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.698 0.761 . . . . 0.0 110.926 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 161.78 44.63 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.665 2.244 . . . . 0.0 112.387 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 126.32 13.16 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.681 2.254 . . . . 0.0 112.355 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.418 ' OE2' ' CE ' ' A' ' 38' ' ' LYS . 11.7 pt-20 -111.77 177.62 4.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -53.5 -49.09 68.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.0 t -93.33 117.29 36.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.084 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.442 ' HG3' ' CZ2' ' A' ' 36' ' ' TRP . 6.0 tp10 -64.84 -42.58 94.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.5 t -55.3 -58.88 5.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.839 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.8 mtt180 -43.97 -47.89 8.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 66.3 ttt180 -49.23 -63.91 0.96 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.442 ' CZ2' ' HG3' ' A' ' 32' ' ' GLU . 8.7 m95 -46.69 -47.14 20.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.926 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 21.0 tp60 -51.42 -46.54 62.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.94 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.461 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 43.4 mttm -58.48 -60.15 4.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 24.5 mt -52.17 -48.17 43.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.153 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -51.61 -57.52 8.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.074 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -38.16 -47.79 1.19 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.822 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.429 ' CB ' HD23 ' A' ' 22' ' ' LEU . 25.2 mm-40 -59.08 -49.32 78.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.415 HD22 ' CD ' ' A' ' 15' ' ' GLU . 85.6 mt -61.68 -52.44 64.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 94.73 -58.48 1.84 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 28.2 m-20 -67.93 -43.24 79.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.866 0.365 . . . . 0.0 110.91 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.56 ' HG3' ' CH2' ' A' ' 11' ' ' TRP . 15.6 mmp_? -83.63 160.31 21.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.885 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.2 p -128.02 169.19 14.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.145 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -48.41 -26.41 2.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.091 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.2 mmtt -79.6 -65.81 0.95 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -48.49 -28.47 3.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.942 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.446 ' O ' ' CG2' ' A' ' 55' ' ' VAL . 86.3 t -81.33 -37.81 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.085 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.73 -49.67 76.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.045 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -66.43 -42.0 88.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.817 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.443 ' HG3' ' CE1' ' A' ' 58' ' ' TYR . 4.5 tp60 -60.94 -46.89 88.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.446 ' CG2' ' O ' ' A' ' 51' ' ' VAL . 92.6 t -53.35 -37.48 29.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 47.9 mm-40 -57.5 -48.44 79.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.5 mttp -83.91 23.61 1.0 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.956 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.443 ' CE1' ' HG3' ' A' ' 54' ' ' GLN . 3.1 m-85 -121.96 -33.48 3.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.401 ' N ' ' CD1' ' A' ' 59' ' ' PHE . 2.4 m-85 -110.76 -44.45 3.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.402 ' O ' ' C ' ' A' ' 61' ' ' LYS . 79.0 mt -71.95 -49.34 45.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.133 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 60' ' ' ILE . 82.8 tttt -37.92 -44.41 0.78 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 61' ' ' LYS . 16.9 mt -38.31 -50.96 1.5 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 8.0 t -39.6 144.27 0.18 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.138 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 35.5 mtpt -39.33 134.55 1.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -80.96 139.34 35.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.108 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 127.22 41.07 0.31 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.501 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.433 ' CG2' ' HD2' ' A' ' 68' ' ' PRO . 47.4 mt -121.12 136.81 25.99 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.598 0.714 . . . . 0.0 111.145 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.433 ' HD2' ' CG2' ' A' ' 67' ' ' ILE . 54.2 Cg_endo -69.72 121.37 8.07 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.66 2.24 . . . . 0.0 112.408 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 96.7 t -108.46 137.43 40.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.106 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 14.7 m -134.77 -46.68 0.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.828 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 117.74 78.96 0.67 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.535 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 151.71 69.09 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.687 2.258 . . . . 0.0 112.351 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.6 t 48.74 41.76 18.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.832 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 90.7 p -52.69 -38.17 60.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.474 -179.965 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.481 -0.247 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.0 m -125.62 160.63 29.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.927 0.394 . . . . 0.0 110.835 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.3 p -76.84 153.25 35.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.856 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.81 66.5 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.448 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 t -69.13 -62.57 1.32 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.92 0.391 . . . . 0.0 110.901 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.0 m -100.56 150.9 22.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.841 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.47 78.64 1.35 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.508 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -104.45 79.78 1.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.732 0.301 . . . . 0.0 110.891 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -122.08 80.61 1.73 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.968 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.1 mp -92.48 154.72 18.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.544 ' CZ2' ' HG3' ' A' ' 46' ' ' ARG . 12.4 m95 -51.7 171.87 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.466 ' O ' ' N ' ' A' ' 15' ' ' GLU . 10.3 t -119.54 139.93 51.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 12' ' ' THR . 7.2 p -36.68 -41.52 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.136 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -58.33 -43.96 88.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -80.6 -53.17 6.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.94 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 15' ' ' GLU . 91.0 mt-30 -37.01 -53.15 0.97 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.6 ptmm? -69.03 -38.45 79.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.431 ' CD ' HD12 ' A' ' 22' ' ' LEU . 1.9 tmtp? -57.33 -45.77 83.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.562 HD21 ' CE2' ' A' ' 58' ' ' TYR . 24.8 tp -55.7 -51.51 67.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.946 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -42.07 -49.97 4.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.828 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -63.64 -44.61 93.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.487 ' O ' ' N ' ' A' ' 25' ' ' LYS . 22.4 mt -60.14 -60.24 4.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.467 ' HG ' ' CD1' ' A' ' 19' ' ' LEU . 38.0 mt -34.67 -47.06 0.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 18.5 mt -67.29 -42.36 87.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.487 ' N ' ' O ' ' A' ' 22' ' ' LEU . 13.5 tttp -62.62 -38.62 90.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.51 ' CE1' ' HB3' ' A' ' 38' ' ' LYS . 51.9 m-85 -104.78 92.73 5.39 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.682 0.753 . . . . 0.0 110.924 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 166.86 26.27 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.637 2.225 . . . . 0.0 112.315 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 111.97 2.94 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.702 2.268 . . . . 0.0 112.364 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.43 ' O ' ' C ' ' A' ' 30' ' ' GLU . 9.1 pt-20 -97.14 179.43 4.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.908 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 29' ' ' GLU . 6.0 pt-20 -36.03 -48.55 0.6 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.8 t -111.02 152.14 13.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.165 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.601 ' O ' ' CD1' ' A' ' 36' ' ' TRP . 0.0 OUTLIER -99.62 -21.26 15.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 72.1 m -75.91 -19.4 58.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.467 ' HD2' ' N ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -87.7 -46.43 9.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.919 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 34.9 ttt180 -46.35 -41.09 12.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.601 ' CD1' ' O ' ' A' ' 32' ' ' GLU . 11.9 m95 -63.65 -38.02 89.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -57.34 -46.39 83.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.51 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 52.5 mttm -63.93 -45.9 87.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 38.6 mt -61.13 -54.17 38.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.158 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -47.32 -50.72 21.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -46.17 -50.01 16.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.826 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -55.54 -49.65 72.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.6 mt -60.41 -58.8 6.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.53 -30.79 6.56 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.427 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -87.07 -47.11 9.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.82 0.343 . . . . 0.0 110.843 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.544 ' HG3' ' CZ2' ' A' ' 11' ' ' TRP . 8.7 mmt180 -86.8 -178.79 6.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.882 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 48' ' ' ALA . 50.5 p -138.22 157.6 45.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.114 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 47' ' ' THR . . . -34.21 -58.51 0.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.126 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.425 ' O ' ' N ' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -54.65 -70.0 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -39.01 -39.29 0.53 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.944 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 99.1 t -68.83 -43.04 82.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.114 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 49' ' ' LYS . . . -56.59 -41.63 77.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.065 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.7 t -70.36 -38.52 74.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.858 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.476 ' HG3' ' CE1' ' A' ' 58' ' ' TYR . 6.1 tp60 -66.54 -30.2 70.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.87 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.481 HG21 ' CZ3' ' A' ' 36' ' ' TRP . 79.1 t -64.06 -47.51 89.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.119 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.488 ' OE1' ' CG ' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -51.97 -39.33 59.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.488 ' CG ' ' OE1' ' A' ' 56' ' ' GLN . 33.3 mttt -88.47 20.82 3.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.562 ' CE2' HD21 ' A' ' 19' ' ' LEU . 2.8 m-85 -121.18 -22.4 6.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.49 ' O ' ' CD1' ' A' ' 62' ' ' LEU . 2.5 m-85 -121.93 -30.94 4.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.912 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 35.2 mt -91.24 -23.97 5.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.085 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 41.7 tttp -80.39 -48.0 13.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.925 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.499 ' CD1' ' C ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -66.38 -4.3 7.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.901 179.901 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.459 ' N ' HD13 ' A' ' 62' ' ' LEU . 9.3 t -51.32 172.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt -125.02 76.49 1.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.5 ' O ' ' N ' ' A' ' 67' ' ' ILE . . . -131.24 -174.84 3.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.158 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 67' ' ' ILE . . . -38.84 -24.94 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.483 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.5 ' N ' ' O ' ' A' ' 65' ' ' ALA . 22.1 mt -33.72 132.84 0.37 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.665 0.745 . . . . 0.0 111.151 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 146.34 60.17 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.716 2.277 . . . . 0.0 112.368 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.416 HG23 ' N ' ' A' ' 70' ' ' SER . 8.4 p -76.09 138.08 21.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.133 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.416 ' N ' HG23 ' A' ' 69' ' ' VAL . 49.0 m -116.67 173.3 6.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -133.1 70.21 0.52 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.468 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 105.84 1.55 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.68 2.253 . . . . 0.0 112.358 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 66.9 m 52.51 42.22 31.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.823 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.7 m -110.66 -51.91 2.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.832 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.501 -179.991 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.0 m -153.38 157.55 40.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.867 0.365 . . . . 0.0 110.836 -179.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.5 m -84.38 -60.82 1.96 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.83 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.93 48.24 0.5 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.467 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.7 m -112.57 129.25 56.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.837 0.351 . . . . 0.0 110.875 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.6 t -149.13 153.22 37.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.847 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.66 -142.09 3.57 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.484 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 -91.59 45.43 1.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.736 0.303 . . . . 0.0 110.882 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? -111.23 38.29 2.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.5 mp -73.88 154.51 39.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.936 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.588 ' CG ' ' NE2' ' A' ' 54' ' ' GLN . 12.2 m95 -112.26 173.18 6.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.7 t -118.32 154.84 31.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.124 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.1 p -46.52 -49.43 6.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.11 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -51.34 -46.95 62.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -68.41 -50.08 55.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -43.3 -48.42 6.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.903 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.2 ptpp? -76.76 -34.87 58.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.867 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.5 tttp -63.67 -66.19 0.58 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.506 HD23 ' CZ3' ' A' ' 11' ' ' TRP . 10.8 tp -44.17 -58.6 2.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.414 ' O ' ' CD1' ' A' ' 24' ' ' ILE . 43.3 mt-10 -37.89 -56.75 1.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -59.91 -42.89 94.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.926 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 30.6 mt -59.45 -38.28 80.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.442 ' O ' ' NH2' ' A' ' 35' ' ' ARG . 73.1 mt -54.15 -51.15 65.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.414 ' CD1' ' O ' ' A' ' 20' ' ' GLU . 5.3 mp -72.34 -44.13 63.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.3 tttp -56.53 -34.21 66.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.866 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -94.48 122.44 61.04 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.721 0.772 . . . . 0.0 110.909 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 170.1 17.38 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.711 2.274 . . . . 0.0 112.334 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 166.51 27.3 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.666 2.244 . . . . 0.0 112.372 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.499 ' OE1' ' N ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -139.59 -178.04 5.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.877 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -71.09 -47.69 56.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.91 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.473 ' O ' ' C ' ' A' ' 32' ' ' GLU . 22.6 t -117.02 117.73 56.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.132 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.518 ' HG2' ' CE2' ' A' ' 36' ' ' TRP . 6.8 tt0 -32.85 -64.9 0.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.862 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 32' ' ' GLU . 5.4 p -35.85 -56.93 0.69 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.826 -179.748 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.464 ' CG ' ' HB ' ' A' ' 31' ' ' VAL . 23.1 mmt180 -39.66 -51.79 2.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.835 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.442 ' NH2' ' O ' ' A' ' 23' ' ' LEU . 72.1 ttt180 -52.45 -67.14 0.28 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.518 ' CE2' ' HG2' ' A' ' 32' ' ' GLU . 5.5 m95 -44.92 -46.79 11.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.453 ' NE2' ' HA ' ' A' ' 37' ' ' GLN . 2.0 tp-100 -49.19 -34.11 13.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.89 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.5 mttm -75.81 -59.55 2.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 50.5 mt -48.36 -42.16 11.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.099 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -53.54 -54.28 39.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.083 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -39.42 -48.04 1.88 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -57.06 -53.39 58.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.3 mt -56.54 -48.67 76.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 85.05 -31.78 3.64 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.498 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 23.8 m-20 -93.58 -42.18 9.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.853 0.359 . . . . 0.0 110.895 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.493 ' HG3' ' CH2' ' A' ' 11' ' ' TRP . 6.1 mmp_? -86.02 160.48 19.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.444 ' O ' ' C ' ' A' ' 48' ' ' ALA . 2.3 p -125.17 157.75 35.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.166 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 47' ' ' THR . . . -34.39 -49.86 0.4 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.085 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.71 -68.96 0.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 71.2 mm-40 -42.7 -35.74 1.22 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.939 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 75.7 t -73.23 -39.47 56.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.09 -49.02 77.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 61.0 m -67.48 -43.28 81.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.588 ' NE2' ' CG ' ' A' ' 11' ' ' TRP . 5.4 tp60 -55.34 -37.17 67.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.906 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 86.6 t -66.85 -35.38 74.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -63.38 -34.52 77.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.0 mttm -97.37 14.92 24.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.406 ' C ' ' CD1' ' A' ' 59' ' ' PHE . 3.1 m-30 -115.03 -10.87 12.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.429 ' CD1' ' N ' ' A' ' 59' ' ' PHE . 2.0 m-85 -131.67 -56.14 1.0 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.916 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 59.3 mt -58.83 -37.16 64.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.107 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.444 ' NZ ' ' O ' ' A' ' 70' ' ' SER . 26.8 tttt -67.93 -28.57 67.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -107.84 45.99 0.98 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.976 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 58.3 m -91.19 -62.38 1.46 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.456 ' HD3' ' N ' ' A' ' 65' ' ' ALA . 0.9 OUTLIER -121.18 140.65 51.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.94 179.904 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.456 ' N ' ' HD3' ' A' ' 64' ' ' LYS . . . -53.18 -51.15 63.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.094 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 65' ' ' ALA . . . -34.72 -42.88 0.36 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.518 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.466 ' CG2' ' HD2' ' A' ' 68' ' ' PRO . 24.6 mt -62.69 138.61 96.88 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.6 0.714 . . . . 0.0 111.125 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.466 ' HD2' ' CG2' ' A' ' 67' ' ' ILE . 53.7 Cg_endo -69.71 122.98 9.66 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.667 2.244 . . . . 0.0 112.333 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 98.2 t -105.1 119.54 54.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.102 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.444 ' O ' ' NZ ' ' A' ' 61' ' ' LYS . 77.5 p -145.08 122.4 11.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.863 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -78.34 153.36 39.1 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.484 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 150.08 67.74 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.703 2.269 . . . . 0.0 112.31 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 63.2 p -70.59 147.21 49.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 13.5 t -131.74 108.59 9.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.898 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.506 -179.965 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 m -112.98 117.51 32.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.881 0.372 . . . . 0.0 110.868 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.9 p -122.2 42.0 3.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.844 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.95 -142.15 17.35 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.5 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.2 p -99.24 102.75 14.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.899 0.38 . . . . 0.0 110.891 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.8 t -159.42 163.4 35.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.439 ' HA3' ' CD1' ' A' ' 10' ' ' LEU . . . 123.0 125.51 3.05 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.493 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.41 ' CG ' ' OE1' ' A' ' 9' ' ' GLN . 7.9 t-20 -88.28 -63.35 1.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.797 0.332 . . . . 0.0 110.899 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.41 ' OE1' ' CG ' ' A' ' 8' ' ' ASN . 2.9 mp0 -108.69 66.9 0.65 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.439 ' CD1' ' HA3' ' A' ' 7' ' ' GLY . 11.5 mt -106.71 161.5 14.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.526 ' CH2' ' HG3' ' A' ' 46' ' ' ARG . 11.5 m95 -80.21 144.06 33.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.9 t -95.9 147.65 23.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.9 p -38.44 -48.97 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.106 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -46.04 -68.48 0.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 16' ' ' GLN . 8.6 mm-40 -48.84 -54.65 14.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 15' ' ' GLU . 39.4 mt-30 -36.43 -40.45 0.24 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.923 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.7 mtmt -71.63 -65.26 0.78 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.404 ' HG2' ' CD1' ' A' ' 22' ' ' LEU . 33.2 tttp -42.38 -43.59 3.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.938 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.551 HD21 ' CE2' ' A' ' 58' ' ' TYR . 39.5 tp -62.29 -46.9 86.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -53.06 -46.23 68.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 -69.21 -51.71 35.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.911 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.404 ' CD1' ' HG2' ' A' ' 18' ' ' LYS . 10.7 mt -52.04 -48.47 64.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.916 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 18.9 mt -40.7 -43.59 1.99 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.917 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 18.4 mt -76.37 -44.72 35.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.52 ' HD2' ' CE2' ' A' ' 26' ' ' TYR . 2.8 tmtm? -54.24 -39.41 66.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.565 ' CE1' ' HB3' ' A' ' 38' ' ' LYS . 55.3 m-85 -104.07 94.84 7.08 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.624 0.726 . . . . 0.0 110.873 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 164.44 34.55 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.681 2.254 . . . . 0.0 112.371 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 140.1 41.82 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.619 2.213 . . . . 0.0 112.35 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -133.64 173.31 11.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -42.77 -49.36 5.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 98.9 t -101.46 107.8 22.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.161 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.484 ' HG2' ' CE2' ' A' ' 36' ' ' TRP . 14.0 tt0 -63.51 -34.52 77.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.3 t -51.23 -60.1 3.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 32.9 mtp180 -49.34 -52.4 28.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.864 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 55.5 ttt180 -41.27 -45.35 2.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.512 ' CZ3' HG22 ' A' ' 55' ' ' VAL . 13.7 m95 -69.73 -46.89 64.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 19.1 tp60 -52.96 -43.77 66.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.878 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.565 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 42.7 mttm -62.52 -45.99 90.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 59.8 mt -62.1 -42.13 93.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.161 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 41' ' ' ASP . . . -54.7 -58.9 5.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.164 179.769 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 40' ' ' ALA . 10.1 t0 -34.72 -57.17 0.54 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.837 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -49.66 -56.3 10.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.1 mt -51.02 -59.58 4.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.944 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.08 -56.17 0.54 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.489 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 21.4 p-10 -77.4 -53.82 7.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.854 0.359 . . . . 0.0 110.953 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.526 ' HG3' ' CH2' ' A' ' 11' ' ' TRP . 2.2 mmp_? -67.54 167.33 13.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.491 ' O ' ' N ' ' A' ' 49' ' ' LYS . 10.1 t -140.46 158.6 43.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.113 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 47' ' ' THR . . . -37.15 -28.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.075 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.491 ' N ' ' O ' ' A' ' 47' ' ' THR . 12.7 tptt -74.76 -71.0 0.37 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.425 ' CD ' ' N ' ' A' ' 50' ' ' GLN . 0.5 OUTLIER -51.08 -36.76 41.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 95.0 t -63.11 -50.43 79.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.123 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.94 -49.86 65.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.083 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 37.4 p -62.61 -28.37 69.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.416 ' O ' ' CD1' ' A' ' 58' ' ' TYR . 20.5 tp60 -76.72 -39.25 52.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.512 HG22 ' CZ3' ' A' ' 36' ' ' TRP . 85.3 t -69.71 -46.18 75.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.47 ' HG3' ' N ' ' A' ' 57' ' ' LYS . 2.6 pt20 -55.14 -37.18 66.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.47 ' N ' ' HG3' ' A' ' 56' ' ' GLN . 58.4 mttt -89.73 19.56 4.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.551 ' CE2' HD21 ' A' ' 19' ' ' LEU . 2.8 m-30 -116.78 -47.32 2.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.404 ' N ' ' CD1' ' A' ' 59' ' ' PHE . 2.2 m-85 -91.89 -31.7 15.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.886 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 10.6 mt -87.3 -29.34 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.144 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.452 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 25.8 pttt -61.5 -28.6 69.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.452 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 2.7 pp -86.34 -37.2 18.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.95 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.407 ' N ' HD13 ' A' ' 62' ' ' LEU . 26.4 m -45.55 128.88 8.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.158 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.0 mtmp? -71.54 -54.13 11.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -74.95 171.33 14.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.121 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 53.34 48.04 60.7 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.477 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 18.7 mm -119.77 127.65 26.29 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.591 0.71 . . . . 0.0 111.119 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 69' ' ' VAL . 54.1 Cg_endo -69.73 107.7 1.91 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.709 2.273 . . . . 0.0 112.369 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.409 ' C ' ' O ' ' A' ' 68' ' ' PRO . 15.0 p -35.17 140.06 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 17.4 m -43.84 147.57 0.46 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.876 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -127.29 152.92 18.9 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.463 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 -17.86 37.13 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.66 2.24 . . . . 0.0 112.321 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 43.5 t -48.73 111.79 0.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.3 t -150.79 177.12 10.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.816 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.496 180.0 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.9 m -126.72 105.73 8.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.888 0.375 . . . . 0.0 110.856 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.7 t -92.67 164.44 13.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.861 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.47 -83.16 0.24 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.51 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.5 p 38.63 42.63 0.61 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.865 0.364 . . . . 0.0 110.823 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.6 p -91.03 128.92 37.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.862 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.59 45.68 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.487 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -42.92 140.14 1.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.813 0.34 . . . . 0.0 110.911 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -117.72 99.17 6.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.2 mp -72.92 158.03 36.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 6.7 m95 -113.46 159.23 19.72 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.495 ' CG2' ' OE2' ' A' ' 15' ' ' GLU . 7.4 t -107.63 142.42 37.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.428 ' C ' ' O ' ' A' ' 12' ' ' THR . 73.1 t -34.21 -52.73 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.163 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -45.51 -60.99 1.87 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.495 ' OE2' ' CG2' ' A' ' 12' ' ' THR . 0.0 OUTLIER -61.6 -50.37 72.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 -179.894 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 15' ' ' GLU . 19.6 mt-30 -36.33 -67.62 0.16 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -66.45 -53.4 35.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 32.1 tttp -39.4 -36.9 0.4 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.6 tp -74.0 -58.94 2.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.953 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -42.83 -42.96 3.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.836 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -68.45 -47.61 66.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 49.2 mt -56.55 -43.26 79.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.2 mt -48.36 -52.28 22.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.956 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 33.5 mt -62.86 -42.73 97.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.14 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 52.6 tttt -53.68 -56.59 16.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.54 ' CE1' ' HB3' ' A' ' 38' ' ' LYS . 71.5 m-85 -79.89 122.04 82.86 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.673 0.749 . . . . 0.0 110.921 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 160.32 50.14 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.641 2.227 . . . . 0.0 112.317 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 143.06 49.68 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.719 2.279 . . . . 0.0 112.353 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.473 ' OE1' ' N ' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -128.18 -174.27 3.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.9 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -85.2 -33.47 22.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.493 ' O ' ' N ' ' A' ' 33' ' ' SER . 97.4 t -109.47 87.79 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.166 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.52 ' HB2' ' CE2' ' A' ' 36' ' ' TRP . 23.0 pm0 -36.39 -29.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 31' ' ' VAL . 1.1 t -50.47 -70.65 0.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.829 -179.77 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -48.24 -32.38 7.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.853 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 21.6 ttt180 -65.07 -40.71 95.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.52 ' CE2' ' HB2' ' A' ' 32' ' ' GLU . 9.7 m95 -74.03 -41.55 61.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 43.9 tp60 -54.89 -51.85 64.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.54 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 32.8 mttm -53.72 -52.77 59.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.87 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 24.5 mt -58.25 -44.06 87.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.16 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -53.83 -53.3 54.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.102 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -42.45 -53.28 4.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -50.75 -46.36 59.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 19.7 mt -64.19 -42.04 96.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.951 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 81.37 -42.49 2.77 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.502 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -86.34 -45.13 11.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.807 0.337 . . . . 0.0 110.926 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 63.8 mmt-85 -77.89 164.71 24.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.416 ' O ' ' C ' ' A' ' 48' ' ' ALA . 24.9 p -129.16 160.44 32.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 47' ' ' THR . . . -35.74 -56.25 0.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.051 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.49 ' O ' ' N ' ' A' ' 52' ' ' ALA . 8.2 mmmt -54.66 -70.1 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.93 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 49' ' ' LYS . 80.2 mm-40 -38.16 -36.63 0.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 85.0 t -75.17 -39.93 43.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.077 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.49 ' N ' ' O ' ' A' ' 49' ' ' LYS . . . -58.78 -53.04 62.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.102 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 21.7 m -57.35 -41.15 79.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.847 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 8.6 tp60 -63.05 -49.9 72.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 85.7 t -53.3 -34.93 23.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.159 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -56.76 -53.68 55.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.8 mttm -75.0 5.17 5.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -101.39 -33.16 10.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -111.12 -40.97 4.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 49.7 mt -75.26 -33.06 27.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.161 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.5 tttp -61.22 -52.44 64.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.87 -32.06 71.5 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.929 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 27.3 m -58.22 126.66 28.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.175 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.405 ' HA ' ' CG1' ' A' ' 67' ' ' ILE . 53.3 pttt -44.51 -46.4 9.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.64 -38.03 83.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.108 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -100.42 47.2 1.27 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.466 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.405 ' CG1' ' HA ' ' A' ' 64' ' ' LYS . 27.5 mm -94.47 129.45 36.69 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.579 0.704 . . . . 0.0 111.128 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 140.03 41.53 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.674 2.25 . . . . 0.0 112.308 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 92.5 t -60.71 -47.38 93.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.151 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 36.7 m -96.9 164.95 12.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.871 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -119.89 79.32 0.32 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.499 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 144.61 54.53 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.64 2.226 . . . . 0.0 112.352 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 34.3 t 40.35 42.0 1.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.838 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 55.3 p -77.29 101.4 6.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.461 -179.975 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.1 m -67.13 166.01 14.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.857 0.361 . . . . 0.0 110.884 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.5 t -122.56 -53.7 1.89 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.856 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.2 -112.64 3.49 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.493 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.3 m -66.56 156.9 33.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.868 0.366 . . . . 0.0 110.874 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.6 m -131.99 -53.51 0.98 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.866 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.65 -133.1 20.9 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.475 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 22.6 m120 -103.32 -53.97 2.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.729 0.3 . . . . 0.0 110.849 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.2 pm0 -149.12 130.36 14.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.946 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.9 mt -105.64 152.48 23.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.517 ' CH2' ' HG3' ' A' ' 46' ' ' ARG . 12.0 m95 -51.02 151.84 2.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.1 p -88.32 176.37 7.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.126 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.4 p -63.29 -48.05 89.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.144 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -61.64 -53.38 56.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.63 -51.51 69.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.872 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -44.07 -69.08 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 18' ' ' LYS . 3.7 pttm -52.34 -32.38 37.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.416 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 32.1 tttt -63.78 -43.74 95.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.9 tp -58.99 -53.25 60.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.937 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -49.41 -51.25 36.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -59.02 -41.98 89.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.923 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 21.5 mt -63.03 -50.7 69.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.963 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 29.3 mt -50.28 -47.97 55.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.914 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 20.5 mt -65.47 -42.63 93.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.129 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.8 tttp -58.82 -58.34 9.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -78.19 117.08 63.9 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.668 0.747 . . . . 0.0 110.879 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 150.83 68.61 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.648 2.232 . . . . 0.0 112.347 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 118.11 5.49 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.681 2.254 . . . . 0.0 112.285 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 30' ' ' GLU . 11.8 pt-20 -99.04 165.76 11.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 29' ' ' GLU . 11.7 pt-20 -37.49 -50.58 1.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 86.9 t -88.46 150.7 3.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.406 ' HG2' ' CZ2' ' A' ' 36' ' ' TRP . 34.9 tt0 -94.66 -35.61 12.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 89.4 p -61.71 -50.92 70.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 74.5 mtt180 -52.75 -48.89 66.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.873 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -45.19 -43.35 10.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.827 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.406 ' CZ2' ' HG2' ' A' ' 32' ' ' GLU . 6.4 m95 -69.9 -36.2 75.22 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.948 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -58.3 -49.33 77.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 36.6 mttm -59.22 -44.9 92.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.845 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 29.6 mt -61.67 -55.58 23.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.12 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.427 ' O ' ' C ' ' A' ' 41' ' ' ASP . . . -45.67 -52.0 11.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.11 179.8 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 40' ' ' ALA . 13.8 t0 -36.02 -56.07 0.74 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -53.9 -56.62 16.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.6 mt -51.35 -54.81 22.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 90.21 -45.2 2.97 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.483 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -78.8 -45.66 20.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.839 0.352 . . . . 0.0 110.869 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.517 ' HG3' ' CH2' ' A' ' 11' ' ' TRP . 51.2 mmt-85 -81.06 171.83 14.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 48' ' ' ALA . 42.0 p -138.71 158.24 44.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.152 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' A' ' 47' ' ' THR . . . -34.21 -53.55 0.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.071 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.408 ' O ' ' N ' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -58.28 -70.23 0.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.899 179.94 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -42.08 -31.89 0.41 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.979 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 93.1 t -75.4 -40.05 41.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.126 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 49' ' ' LYS . . . -57.12 -49.0 77.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.085 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.1 t -55.3 -46.62 76.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.514 ' HG3' ' CE1' ' A' ' 58' ' ' TYR . 7.7 tp60 -61.64 -46.84 88.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.894 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 96.7 t -51.22 -41.06 23.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.111 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -55.01 -48.29 73.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.0 mttp -84.39 27.46 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.917 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.514 ' CE1' ' HG3' ' A' ' 54' ' ' GLN . 4.2 m-85 -127.68 -31.85 2.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.408 ' N ' ' CD1' ' A' ' 59' ' ' PHE . 2.3 m-85 -113.57 -43.12 3.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 75.9 mt -71.76 -38.85 67.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.135 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 53.0 tttt -52.19 -43.07 63.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.2 mt -62.7 -41.71 99.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.851 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 78.5 m -62.04 -58.4 7.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.134 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.417 ' NZ ' ' HA ' ' A' ' 64' ' ' LYS . 0.6 OUTLIER 43.45 49.58 6.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 179.866 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 67' ' ' ILE . . . -106.93 -174.83 2.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.162 179.807 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.458 ' O ' ' C ' ' A' ' 67' ' ' ILE . . . -38.39 -25.68 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.45 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.499 ' N ' ' O ' ' A' ' 65' ' ' ALA . 39.6 mt -33.61 132.82 0.36 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.613 0.721 . . . . 0.0 111.129 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 175.97 7.41 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.723 2.282 . . . . 0.0 112.303 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 8.5 p -125.05 117.79 51.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 55.7 m -104.66 150.85 24.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.831 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -98.47 145.38 17.72 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.443 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -42.77 3.1 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.644 2.229 . . . . 0.0 112.348 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.2 t -45.14 -69.88 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.2 p -127.41 -37.7 2.0 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.884 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.461 179.971 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.8 t -100.61 42.09 1.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.882 0.372 . . . . 0.0 110.895 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.0 m 45.71 42.23 8.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.916 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.49 134.2 2.38 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.507 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 t -126.79 -39.77 1.95 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.879 0.371 . . . . 0.0 110.87 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.8 t 63.07 43.49 6.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.3 48.34 0.65 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.499 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -172.93 166.04 5.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.799 0.333 . . . . 0.0 110.86 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -73.71 86.13 1.66 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.4 mt -97.14 169.15 10.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.965 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.539 ' CZ2' ' HG2' ' A' ' 54' ' ' GLN . 8.2 m95 -79.62 143.61 34.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.466 HG23 ' CG ' ' A' ' 14' ' ' GLU . 10.0 t -96.2 141.86 29.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.152 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.445 ' C ' ' O ' ' A' ' 12' ' ' THR . 90.5 t -33.73 -72.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.106 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.466 ' CG ' HG23 ' A' ' 12' ' ' THR . 19.5 pt-20 -34.03 -45.02 0.19 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.422 ' CD ' ' HG3' ' A' ' 14' ' ' GLU . 0.1 OUTLIER -70.64 -49.63 45.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.93 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -42.82 -56.28 3.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.87 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.447 ' CE ' ' HA ' ' A' ' 14' ' ' GLU . 29.5 pttt -70.95 -46.76 61.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.444 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 33.1 tttp -46.3 -44.04 16.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.425 HD21 ' CZ3' ' A' ' 11' ' ' TRP . 13.7 tp -63.92 -49.18 73.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -50.93 -43.42 60.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -66.67 -57.91 6.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 23' ' ' LEU . 10.1 mt -46.23 -52.55 12.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 22' ' ' LEU . 28.8 mt -37.36 -46.0 0.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 26.3 mt -79.65 -39.58 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.164 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.9 tttm -50.56 -53.96 26.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.489 ' CE1' ' HB3' ' A' ' 38' ' ' LYS . 79.4 m-85 -86.4 122.11 72.18 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.692 0.758 . . . . 0.0 110.915 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 168.24 22.08 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.688 2.258 . . . . 0.0 112.343 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 164.52 34.2 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.669 2.246 . . . . 0.0 112.374 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.464 ' OE1' ' C ' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -146.43 -174.98 4.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -82.54 -32.52 28.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.464 ' C ' ' OE1' ' A' ' 29' ' ' GLU . 39.1 t -108.36 92.17 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.126 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.502 ' HG2' ' CZ2' ' A' ' 36' ' ' TRP . 19.0 tt0 -40.88 -27.48 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 31' ' ' VAL . 2.6 m -65.74 -67.77 0.42 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -42.97 -32.55 0.66 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.409 ' HB2' ' CG ' ' A' ' 29' ' ' GLU . 50.1 ttt180 -59.04 -57.7 11.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.841 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.502 ' CZ2' ' HG2' ' A' ' 32' ' ' GLU . 10.8 m95 -53.69 -32.78 53.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -61.96 -49.63 75.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.925 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.489 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 45.9 mttt -56.03 -41.32 74.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 22.7 mt -70.13 -55.33 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.46 -50.1 32.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.077 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -43.38 -49.52 6.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -58.19 -45.92 86.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.9 mt -60.24 -46.31 90.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 80.98 -38.8 2.39 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.484 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -85.62 -38.29 18.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.837 0.351 . . . . 0.0 110.896 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.9 mmt-85 -89.01 176.02 7.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.834 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.446 ' HG1' ' NE2' ' A' ' 50' ' ' GLN . 57.9 p -137.81 160.65 38.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -43.36 -36.46 1.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.116 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -72.24 -66.18 0.68 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.478 ' OE1' ' N ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -42.22 -38.12 1.67 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 93.7 t -72.41 -39.37 62.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.109 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.4 -45.16 69.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.064 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 71.4 m -74.7 -29.72 61.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.539 ' HG2' ' CZ2' ' A' ' 11' ' ' TRP . 7.9 tp60 -71.44 -37.08 71.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.927 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.46 HG22 ' CZ3' ' A' ' 36' ' ' TRP . 78.8 t -69.56 -50.27 52.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.081 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.447 ' HG3' ' N ' ' A' ' 57' ' ' LYS . 6.1 pt20 -54.15 -34.12 59.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.447 ' N ' ' HG3' ' A' ' 56' ' ' GLN . 48.7 mttp -89.62 15.85 8.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.404 ' CD1' ' O ' ' A' ' 54' ' ' GLN . 2.7 m-85 -118.85 -25.78 6.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.931 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.423 ' CD1' ' N ' ' A' ' 59' ' ' PHE . 2.1 m-85 -116.98 -40.59 3.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.885 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 11.2 mt -79.63 -22.63 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.119 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 63' ' ' THR . 62.8 tttp -79.6 -54.35 5.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.461 ' CD1' ' C ' ' A' ' 62' ' ' LEU . 1.4 pp -36.43 -33.39 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.881 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.43 ' N ' ' O ' ' A' ' 61' ' ' LYS . 5.0 t -40.58 149.55 0.08 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.144 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.0 mmmm -45.55 148.32 0.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -80.56 41.97 0.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.113 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -123.43 43.25 1.46 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.5 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.432 ' CG2' ' HD2' ' A' ' 68' ' ' PRO . 62.1 mt -142.16 136.56 15.04 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.626 0.727 . . . . 0.0 111.137 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.432 ' HD2' ' CG2' ' A' ' 67' ' ' ILE . 53.2 Cg_endo -69.79 162.99 39.98 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.666 2.244 . . . . 0.0 112.349 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 93.5 t -147.56 144.82 19.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 24.9 p -140.29 167.25 22.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -140.17 86.95 0.2 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.499 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -13.3 34.49 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.728 2.285 . . . . 0.0 112.297 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 32.2 m -45.91 129.61 9.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 34.0 p -172.22 147.58 2.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.829 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.45 179.94 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.6 m -112.77 137.55 50.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.837 0.351 . . . . 0.0 110.881 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.2 m -131.88 169.08 16.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.19 71.99 1.22 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.479 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 t -124.22 -44.46 2.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.899 0.38 . . . . 0.0 110.882 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.9 t -41.36 141.45 0.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.4 98.54 0.94 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.439 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -81.99 44.71 0.86 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.8 0.333 . . . . 0.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -128.99 96.65 4.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.538 ' C ' ' CD2' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -83.06 169.74 15.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.934 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.525 ' CH2' ' HG3' ' A' ' 46' ' ' ARG . 11.5 m95 -90.37 139.7 30.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.448 ' O ' ' C ' ' A' ' 13' ' ' VAL . 8.9 t -83.49 140.69 32.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.133 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.448 ' C ' ' O ' ' A' ' 12' ' ' THR . 95.1 t -33.99 -48.85 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.415 ' HA ' ' NZ ' ' A' ' 17' ' ' LYS . 48.8 mm-40 -54.71 -52.48 62.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.434 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 64.5 mt-10 -64.85 -50.62 65.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -42.95 -69.33 0.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.914 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.455 ' HG3' ' N ' ' A' ' 18' ' ' LYS . 16.4 pttp -57.41 -45.45 84.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.455 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 15.6 tttp -46.4 -62.11 1.5 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.458 HD23 ' CE2' ' A' ' 58' ' ' TYR . 9.3 tp -45.81 -55.97 5.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -38.82 -44.73 1.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 44.2 mm-40 -69.45 -51.5 35.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 78.5 mt -51.38 -44.8 62.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.932 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.0 mt -49.17 -46.4 45.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.942 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 32.2 mt -64.33 -47.0 91.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.121 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.6 tttp -59.43 -40.49 86.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.555 ' CE1' ' HB3' ' A' ' 38' ' ' LYS . 52.9 m-85 -104.93 92.18 5.03 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.613 0.721 . . . . 0.0 110.924 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 167.35 24.73 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.666 2.244 . . . . 0.0 112.321 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 145.68 57.9 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.678 2.252 . . . . 0.0 112.316 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -137.09 -175.72 4.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -53.78 -42.54 68.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.847 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 43.2 t -108.9 107.39 22.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.091 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -64.2 -34.87 79.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 58.3 m -51.92 -57.65 8.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.893 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 29.4 mtt-85 -52.48 -51.56 58.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.918 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 45.3 ttt180 -40.84 -55.49 2.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.847 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.431 ' CZ3' HG21 ' A' ' 55' ' ' VAL . 8.0 m95 -55.48 -50.16 70.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 11.1 tp60 -47.13 -44.67 21.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.928 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.555 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 54.5 mttm -60.21 -48.86 79.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 42.2 mt -60.89 -50.22 81.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.16 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 41' ' ' ASP . . . -50.77 -58.2 6.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 179.778 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 40' ' ' ALA . 13.4 t0 -35.34 -51.78 0.6 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -57.75 -54.01 51.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.3 mt -54.65 -49.86 69.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.909 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 82.77 -51.29 4.53 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.476 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -68.65 -42.63 77.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.818 0.342 . . . . 0.0 110.855 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.525 ' HG3' ' CH2' ' A' ' 11' ' ' TRP . 79.4 mmt-85 -89.8 172.25 9.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.449 ' O ' ' C ' ' A' ' 48' ' ' ALA . 32.0 p -130.23 156.73 44.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.144 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 47' ' ' THR . . . -34.08 -57.81 0.47 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.069 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.403 ' HD3' ' C ' ' A' ' 49' ' ' LYS . 0.3 OUTLIER -50.78 -66.49 0.38 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.876 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -40.54 -50.53 2.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 80.3 t -54.22 -45.42 67.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.155 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.04 -48.24 73.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.071 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.2 m -57.92 -42.2 84.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.828 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -68.08 -40.74 82.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.431 HG21 ' CZ3' ' A' ' 36' ' ' TRP . 96.2 t -54.13 -37.62 35.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.113 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -58.15 -46.23 86.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -81.49 16.08 1.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.458 ' CE2' HD23 ' A' ' 19' ' ' LEU . 2.8 m-30 -116.0 -26.24 7.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.97 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.477 ' O ' ' CD1' ' A' ' 62' ' ' LEU . 3.0 m-85 -117.95 -26.62 6.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.913 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 36.1 mt -96.24 -17.73 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.084 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.2 ttpp -87.31 -41.51 13.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.499 ' CD2' ' O ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -74.23 4.14 6.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.955 179.897 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.477 ' N ' HD13 ' A' ' 62' ' ' LEU . 12.3 t -57.67 162.97 2.74 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.202 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 21.2 pttm -66.09 154.47 39.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.912 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -89.71 -25.85 20.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.107 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -41.39 -34.32 1.03 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.487 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.474 ' CG2' ' HD2' ' A' ' 68' ' ' PRO . 71.5 mt -41.52 138.68 1.58 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.632 0.729 . . . . 0.0 111.125 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.504 ' O ' ' N ' ' A' ' 70' ' ' SER . 53.8 Cg_endo -69.77 149.4 66.77 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.725 2.283 . . . . 0.0 112.327 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.499 ' C ' ' O ' ' A' ' 68' ' ' PRO . 3.2 p 29.57 39.93 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.504 ' N ' ' O ' ' A' ' 68' ' ' PRO . 3.4 m -34.45 150.79 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.907 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 70' ' ' SER . . . -32.88 96.36 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.498 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.432 ' N ' ' O ' ' A' ' 70' ' ' SER . 53.6 Cg_endo -69.81 -177.32 1.84 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.624 2.216 . . . . 0.0 112.336 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 94.1 p -109.39 170.28 8.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.8 t -88.26 163.04 16.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.852 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.51 179.951 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.3 t -169.31 159.04 8.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.85 0.357 . . . . 0.0 110.834 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.0 m -140.81 131.44 25.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.62 140.81 24.5 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.51 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.3 m -92.86 -57.57 2.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.843 0.354 . . . . 0.0 110.834 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.4 t -132.72 123.2 25.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.844 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.22 105.37 1.96 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.477 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -154.71 111.11 3.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.725 0.297 . . . . 0.0 110.894 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -97.48 118.38 33.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.949 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.7 mt -71.34 161.76 30.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.562 ' CZ2' ' HD2' ' A' ' 46' ' ' ARG . 14.2 m95 -111.01 166.17 11.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.913 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.465 ' O ' ' C ' ' A' ' 13' ' ' VAL . 3.3 t -110.37 142.61 41.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.115 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.465 ' C ' ' O ' ' A' ' 12' ' ' THR . 69.9 t -32.87 -58.03 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.124 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -40.38 -66.64 0.3 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -58.25 -48.8 79.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -40.08 -68.47 0.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.5 -39.32 94.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.465 ' CE ' HD12 ' A' ' 22' ' ' LEU . 6.0 tmtm? -58.49 -27.27 64.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.877 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 20.4 tp -82.93 -51.66 7.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -40.9 -42.51 1.86 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -66.85 -54.0 26.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.465 HD12 ' CE ' ' A' ' 18' ' ' LYS . 10.3 mt -54.15 -48.71 70.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.4 mt -39.94 -47.79 2.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 18.2 mt -69.8 -46.97 72.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.14 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.561 ' HD2' ' CE2' ' A' ' 26' ' ' TYR . 1.8 tmtm? -50.92 -50.54 57.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.561 ' CE2' ' HD2' ' A' ' 25' ' ' LYS . 59.9 m-85 -92.42 106.96 20.29 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.72 0.771 . . . . 0.0 110.924 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 160.39 49.88 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.68 2.253 . . . . 0.0 112.344 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 152.3 69.35 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.705 2.27 . . . . 0.0 112.37 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.449 ' O ' ' C ' ' A' ' 30' ' ' GLU . 14.9 pt-20 -144.55 155.36 43.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 29' ' ' GLU . 1.7 tm-20 -34.43 -50.27 0.42 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.908 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.411 HG22 ' CD ' ' A' ' 30' ' ' GLU . 45.7 t -100.58 94.41 3.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.122 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.487 ' HB2' ' CE2' ' A' ' 36' ' ' TRP . 6.2 pt-20 -50.27 -37.3 35.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 33.5 t -44.4 -54.11 6.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.853 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 51.6 mtt-85 -52.78 -45.09 67.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.834 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 61.2 ttt180 -55.95 -60.67 3.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.826 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.51 ' CD1' ' HB3' ' A' ' 52' ' ' ALA . 5.5 m95 -50.61 -37.45 40.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.938 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 55.3 tp60 -61.47 -45.04 95.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.52 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 65.1 mttt -60.1 -47.52 85.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.405 HG23 ' CD1' ' A' ' 43' ' ' LEU . 25.2 mt -65.28 -52.42 52.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.172 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -43.04 -43.72 4.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.096 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -53.75 -50.65 65.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -60.91 -48.79 80.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.465 ' CD2' ' HD2' ' A' ' 18' ' ' LYS . 10.3 mt -55.9 -45.37 78.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 77.47 -50.13 3.14 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.507 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 54.3 m-20 -73.5 -46.17 49.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.829 0.347 . . . . 0.0 110.868 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.562 ' HD2' ' CZ2' ' A' ' 11' ' ' TRP . 8.4 mmt180 -90.66 151.11 21.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.446 ' CG2' ' HG2' ' A' ' 50' ' ' GLN . 1.6 t -107.23 163.61 12.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.127 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -37.69 -49.65 1.15 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.045 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -53.84 -69.46 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.917 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.446 ' HG2' ' CG2' ' A' ' 47' ' ' THR . 22.4 mm-40 -40.42 -40.08 1.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 93.1 t -67.94 -39.65 82.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.152 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.51 ' HB3' ' CD1' ' A' ' 36' ' ' TRP . . . -58.56 -57.67 11.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.059 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 47.7 m -61.78 -38.21 87.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.493 ' CD ' ' CE1' ' A' ' 58' ' ' TYR . 4.0 tp-100 -61.76 -47.48 84.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.915 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.456 ' CG2' ' CZ3' ' A' ' 36' ' ' TRP . 98.5 t -57.08 -35.89 49.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.158 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -58.34 -51.24 70.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 46.2 mtpt -78.63 10.17 3.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.493 ' CE1' ' CD ' ' A' ' 54' ' ' GLN . 2.7 m-85 -105.16 -32.48 8.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.409 ' CD1' ' N ' ' A' ' 59' ' ' PHE . 2.3 m-85 -110.5 -38.78 5.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.869 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 61.3 mt -68.88 -29.63 44.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.131 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 44.5 tttp -68.7 -34.79 76.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.475 ' O ' ' CD1' ' A' ' 62' ' ' LEU . 3.5 pp -88.19 33.35 0.74 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.46 ' CG2' HD13 ' A' ' 67' ' ' ILE . 8.2 t -87.54 167.95 13.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.166 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.9 mtpp -41.88 161.56 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.895 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -43.7 155.39 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.089 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 112.87 44.39 0.82 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.508 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.471 ' CG2' ' HD2' ' A' ' 68' ' ' PRO . 39.0 mm -117.76 137.83 24.69 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.597 0.713 . . . . 0.0 111.133 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.471 ' HD2' ' CG2' ' A' ' 67' ' ' ILE . 53.8 Cg_endo -69.78 159.35 53.71 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.708 2.272 . . . . 0.0 112.347 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 60.4 t -114.63 -60.56 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.175 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 10.7 t 39.61 47.16 1.63 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.899 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -172.52 145.02 8.28 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.513 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 157.72 59.41 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.68 2.253 . . . . 0.0 112.336 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.2 t -107.99 162.79 13.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.925 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 70.1 m -129.95 -59.43 1.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.864 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.44 179.978 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.2 p -112.04 115.25 28.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.888 0.375 . . . . 0.0 110.877 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -140.49 169.04 18.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.25 156.86 38.04 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.466 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.5 p -135.63 130.59 34.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.846 0.355 . . . . 0.0 110.895 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.1 t -139.82 117.03 11.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.03 172.12 21.53 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.48 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 21.3 m120 -117.97 147.34 43.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.734 0.302 . . . . 0.0 110.867 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 57.75 46.38 17.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.52 158.33 21.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.924 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.534 ' NE1' ' NH1' ' A' ' 46' ' ' ARG . 31.1 m95 -64.0 145.8 55.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.435 ' O ' ' N ' ' A' ' 15' ' ' GLU . 9.5 t -111.92 145.18 40.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.117 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.417 ' C ' ' O ' ' A' ' 12' ' ' THR . 14.5 p -36.65 -37.1 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.11 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -57.43 -46.56 83.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.922 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 12' ' ' THR . 10.2 mm-40 -80.61 -38.37 29.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -53.6 -44.69 69.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.6 ptmt -78.45 -47.42 17.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 51.5 tttt -53.65 -58.65 6.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.429 HD22 ' CE2' ' A' ' 58' ' ' TYR . 22.1 tp -46.95 -53.83 11.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -41.2 -44.45 2.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.89 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 65.6 mm-40 -66.96 -43.63 82.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 23' ' ' LEU . 9.9 mt -63.02 -55.36 26.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 22' ' ' LEU . 11.2 mt -38.31 -47.34 1.2 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 47.0 mt -71.12 -49.87 45.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.166 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.534 ' HD3' ' CE2' ' A' ' 26' ' ' TYR . 26.5 tttp -49.62 -43.62 46.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.534 ' CE2' ' HD3' ' A' ' 25' ' ' LYS . 72.4 m-85 -100.11 100.57 11.9 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.678 0.752 . . . . 0.0 110.91 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 167.05 25.53 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.709 2.273 . . . . 0.0 112.336 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 124.96 11.57 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.67 2.247 . . . . 0.0 112.342 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.451 ' O ' ' C ' ' A' ' 30' ' ' GLU . 6.5 pt-20 -119.97 159.51 24.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 29' ' ' GLU . 13.2 pt-20 -34.33 -50.26 0.41 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.896 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.433 ' N ' ' HG3' ' A' ' 30' ' ' GLU . 85.2 t -92.63 135.28 28.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.12 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.516 ' HG2' ' CE2' ' A' ' 36' ' ' TRP . 7.9 tt0 -92.81 -32.2 14.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.0 t -57.96 -63.59 1.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.462 ' HG3' ' N ' ' A' ' 35' ' ' ARG . 14.1 ptp180 -49.3 -39.98 33.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.462 ' N ' ' HG3' ' A' ' 34' ' ' ARG . 63.9 ttt180 -54.51 -42.46 70.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.55 ' CZ3' HG22 ' A' ' 55' ' ' VAL . 13.8 m95 -74.61 -35.81 62.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -57.94 -38.02 75.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.928 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 40.6 mttt -69.31 -61.45 1.78 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 53.3 mt -45.77 -47.88 4.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.115 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.456 ' HB2' ' CA ' ' A' ' 47' ' ' THR . . . -63.43 -69.18 0.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.161 179.803 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -44.13 -28.03 0.45 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -71.36 -41.54 69.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.5 mt -62.58 -57.25 11.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 116.96 -29.26 6.91 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.5 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -108.65 -56.67 2.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.819 0.342 . . . . 0.0 110.875 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.534 ' NH1' ' NE1' ' A' ' 11' ' ' TRP . 7.8 mmt180 -60.57 170.67 1.33 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.456 ' CA ' ' HB2' ' A' ' 40' ' ' ALA . 7.1 p -134.47 156.06 49.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.125 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 47' ' ' THR . . . -36.19 -42.53 0.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 179.791 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 50' ' ' GLN . 3.3 tmtm? -64.12 -69.92 0.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.943 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 49' ' ' LYS . 35.1 mm-40 -36.96 -44.27 0.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.907 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 98.8 t -59.52 -53.68 44.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -47.51 -62.15 1.58 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.142 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 86.9 p -47.41 -52.69 16.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.837 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 57' ' ' LYS . 3.8 tp-100 -54.48 -56.33 19.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.929 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.55 HG22 ' CZ3' ' A' ' 36' ' ' TRP . 96.8 t -36.74 -53.32 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.111 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -57.47 -40.33 78.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 54' ' ' GLN . 14.5 mmtt -77.15 8.73 3.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.429 ' CE2' HD22 ' A' ' 19' ' ' LEU . 3.5 m-30 -115.32 -48.52 2.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.407 ' CD1' ' N ' ' A' ' 59' ' ' PHE . 2.3 m-85 -91.62 -50.95 5.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.897 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 12.6 mt -69.02 -36.45 73.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.143 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.431 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 1.0 OUTLIER -49.53 -27.89 4.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 179.882 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.431 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 76.2 mt -54.12 -32.24 54.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.412 HG23 ' N ' ' A' ' 64' ' ' LYS . 12.0 t -42.26 -23.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.131 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 62' ' ' LEU . 31.3 mtmt 53.07 45.53 28.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -149.41 129.92 13.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.098 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.78 -38.68 3.15 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.507 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.409 HG23 ' N ' ' A' ' 68' ' ' PRO . 5.1 mp -47.82 135.32 10.93 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.592 0.711 . . . . 0.0 111.141 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 69' ' ' VAL . 54.1 Cg_endo -69.76 120.16 6.99 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.709 2.272 . . . . 0.0 112.355 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.437 HG11 ' N ' ' A' ' 70' ' ' SER . 85.1 t -37.37 143.22 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.131 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.437 ' N ' HG11 ' A' ' 69' ' ' VAL . 27.4 m -138.89 157.79 45.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.827 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -91.27 147.17 18.71 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.451 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 129.69 18.02 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.651 2.234 . . . . 0.0 112.373 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.0 t -48.13 144.12 3.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.9 m -104.58 134.1 48.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.838 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.508 179.988 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -47.01 130.61 12.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.919 0.39 . . . . 0.0 110.847 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 t -166.9 170.42 12.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.49 107.54 0.32 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.44 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.3 m -88.0 79.75 7.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.904 0.383 . . . . 0.0 110.85 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.1 t -167.73 123.79 1.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.39 170.62 12.57 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.421 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -127.64 157.78 39.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.75 0.309 . . . . 0.0 110.902 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 43.64 47.67 6.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.536 ' CD1' ' N ' ' A' ' 11' ' ' TRP . 0.8 OUTLIER -106.7 135.27 48.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.536 ' N ' ' CD1' ' A' ' 10' ' ' LEU . 49.3 m95 -34.05 134.49 0.18 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.449 ' O ' ' C ' ' A' ' 13' ' ' VAL . 10.8 t -98.68 148.48 23.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.179 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.449 ' C ' ' O ' ' A' ' 12' ' ' THR . 74.5 t -33.93 -55.19 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.162 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -46.11 -57.83 4.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.917 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.467 ' N ' ' OE1' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -61.81 -53.24 58.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.925 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -37.25 -69.48 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 30.6 pttt -58.11 -45.19 87.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.943 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 31.3 tttt -47.58 -40.6 19.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.559 HD22 ' CE2' ' A' ' 58' ' ' TYR . 13.9 tp -69.69 -61.45 1.78 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.948 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 19' ' ' LEU . 15.1 mt-10 -34.67 -39.17 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 -74.97 -44.7 46.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.936 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' ' 19' ' ' LEU . 13.6 mt -59.37 -39.03 81.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.944 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 44.0 mt -49.77 -49.61 47.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 47.7 mt -64.76 -47.12 89.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.089 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.5 ttmt -56.19 -42.66 77.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.516 ' CE1' ' HB3' ' A' ' 38' ' ' LYS . 52.7 m-85 -104.82 92.47 5.19 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.638 0.733 . . . . 0.0 110.933 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 166.18 28.46 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.651 2.234 . . . . 0.0 112.319 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.402 ' HB3' ' NH1' ' A' ' 35' ' ' ARG . 53.9 Cg_endo -69.79 152.64 69.23 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.632 2.221 . . . . 0.0 112.381 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 30' ' ' GLU . 2.6 pt-20 -146.89 172.91 12.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 29' ' ' GLU . 9.7 tt0 -37.95 -46.53 0.99 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 94.3 t -115.86 115.41 49.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.102 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.423 ' O ' ' CD1' ' A' ' 36' ' ' TRP . 18.4 pm0 -73.72 -25.24 60.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.2 m -53.33 -54.98 28.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -61.95 -37.9 86.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.873 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.402 ' NH1' ' HB3' ' A' ' 28' ' ' PRO . 40.2 ttt180 -54.44 -50.09 68.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.423 ' CD1' ' O ' ' A' ' 32' ' ' GLU . 12.8 m95 -60.96 -37.34 82.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.957 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -58.34 -42.72 87.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.516 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 31.0 mttm -62.64 -44.75 95.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 23.9 mt -65.04 -50.9 72.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.116 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.423 ' HB2' ' CA ' ' A' ' 47' ' ' THR . . . -51.68 -56.71 12.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.148 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -47.45 -35.74 8.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.913 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -71.88 -48.47 45.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.7 mt -49.29 -38.28 26.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 121.7 -70.84 0.4 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.487 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -103.39 -40.75 6.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.814 0.34 . . . . 0.0 110.866 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.496 ' CD ' ' CB ' ' A' ' 50' ' ' GLN . 9.9 mmt-85 -46.97 142.63 3.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.423 ' CA ' ' HB2' ' A' ' 40' ' ' ALA . 1.8 t -112.56 163.59 14.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.146 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -42.36 -38.11 1.75 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.104 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -60.91 -71.28 0.14 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.496 ' CB ' ' CD ' ' A' ' 46' ' ' ARG . 25.4 mm-40 -36.89 -46.33 0.62 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.928 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 96.7 t -66.03 -41.94 90.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 49' ' ' LYS . . . -58.22 -56.01 27.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.059 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 74.8 m -58.07 -46.74 84.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.482 ' NE2' ' CD1' ' A' ' 11' ' ' TRP . 5.9 tp60 -55.62 -50.73 69.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 86.6 t -50.2 -30.75 7.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.112 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -63.97 -54.35 35.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.904 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.4 ptpt -72.03 0.57 9.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.559 ' CE2' HD22 ' A' ' 19' ' ' LEU . 4.1 m-30 -102.28 -34.75 9.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -110.61 -61.46 1.67 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 53.1 mt -51.49 -46.88 36.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.149 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 62' ' ' LEU . 50.8 tttt -39.65 -41.59 1.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.789 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.427 ' O ' ' C ' ' A' ' 63' ' ' THR . 19.4 mt -36.28 -47.86 0.61 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.427 ' C ' ' O ' ' A' ' 62' ' ' LEU . 15.1 t -34.85 149.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.109 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.3 mtmm -125.34 48.14 2.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -140.36 145.6 37.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.093 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 61.54 31.13 76.53 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.449 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.466 ' CG2' ' HD2' ' A' ' 68' ' ' PRO . 86.7 mt -131.55 138.64 33.13 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.62 0.724 . . . . 0.0 111.097 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.466 ' HD2' ' CG2' ' A' ' 67' ' ' ILE . 53.8 Cg_endo -69.79 118.03 5.44 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.691 2.26 . . . . 0.0 112.328 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.421 ' CG1' ' HA3' ' A' ' 75' ' ' GLY . 94.1 t -46.2 133.07 2.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.132 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 11.8 t -153.85 132.33 12.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 81.61 146.4 5.36 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.467 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 -15.85 36.98 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.683 2.255 . . . . 0.0 112.305 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.2 m -73.92 -71.97 0.3 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.896 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 92.7 p -62.39 -56.7 15.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.421 ' HA3' ' CG1' ' A' ' 69' ' ' VAL . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.471 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.1 m -116.85 175.44 5.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.876 0.369 . . . . 0.0 110.873 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.1 p -102.77 174.59 5.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.887 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.03 130.02 10.62 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.511 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.5 t -163.9 147.95 10.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.908 0.385 . . . . 0.0 110.842 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.6 m -70.14 143.79 52.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.863 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.86 -119.77 5.86 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.484 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 68.5 40.29 1.97 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.784 0.326 . . . . 0.0 110.903 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -87.9 41.75 1.01 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.6 mt -102.35 159.44 15.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.558 ' CH2' ' HG3' ' A' ' 46' ' ' ARG . 19.7 m95 -39.28 137.64 0.73 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.412 HG21 ' CD ' ' A' ' 15' ' ' GLU . 11.8 t -95.37 169.76 9.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.171 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.0 p -51.56 -45.33 35.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.149 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -55.09 -63.35 1.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.551 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 1.1 mp0 -53.77 -48.89 69.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -38.71 -67.31 0.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.66 -33.07 72.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.468 ' CG ' HD21 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -61.77 -31.61 71.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.876 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.2 tp -89.14 -43.7 10.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -55.29 -42.51 73.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -67.07 -50.31 62.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.462 HD21 ' CB ' ' A' ' 42' ' ' GLU . 47.2 mt -58.65 -43.41 89.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 46.0 mt -47.99 -42.37 27.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 23.5 mt -65.85 -52.3 51.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.099 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.4 tttp -55.57 -37.91 68.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.559 ' CE1' ' HB3' ' A' ' 38' ' ' LYS . 51.8 m-85 -104.51 93.15 5.56 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.714 0.769 . . . . 0.0 110.931 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.402 ' O ' ' OE2' ' A' ' 29' ' ' GLU . 54.1 Cg_endo -69.67 163.03 39.73 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.7 2.267 . . . . 0.0 112.364 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 125.19 11.86 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.685 2.256 . . . . 0.0 112.345 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.402 ' OE2' ' O ' ' A' ' 27' ' ' PRO . 2.1 pm0 -113.36 -174.86 2.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -48.61 -49.73 35.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.878 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.404 ' CG1' ' N ' ' A' ' 32' ' ' GLU . 18.6 t -109.07 151.46 11.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.162 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.594 ' O ' ' CD1' ' A' ' 36' ' ' TRP . 12.5 pt-20 -99.84 -30.52 11.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 40.9 t -48.84 -66.8 0.34 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.839 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.414 ' HB2' ' NZ ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -55.44 -42.33 74.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 55.6 ttt180 -52.9 -37.69 60.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.841 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.594 ' CD1' ' O ' ' A' ' 32' ' ' GLU . 15.2 m95 -72.7 -27.15 61.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -67.27 -42.49 83.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.893 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.559 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 37.0 mttp -63.07 -54.87 31.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 40.1 mt -57.59 -48.64 82.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.146 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -53.1 -57.38 10.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.094 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -39.16 -49.07 1.81 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.462 ' CB ' HD21 ' A' ' 22' ' ' LEU . 16.5 mm-40 -57.82 -56.63 19.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.468 HD21 ' CG ' ' A' ' 18' ' ' LYS . 13.8 mt -42.53 -50.91 5.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 93.35 -34.29 4.67 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.466 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -99.63 -59.74 1.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.821 0.343 . . . . 0.0 110.884 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.558 ' HG3' ' CH2' ' A' ' 11' ' ' TRP . 67.4 mmt-85 -64.84 167.29 7.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.554 ' CG2' ' NE2' ' A' ' 50' ' ' GLN . 13.0 t -127.57 165.15 20.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.121 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -43.14 -41.37 3.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -69.14 -70.37 0.28 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.554 ' NE2' ' CG2' ' A' ' 47' ' ' THR . 0.2 OUTLIER -40.52 -34.05 0.32 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 90.4 t -73.15 -40.57 58.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 49' ' ' LYS . . . -58.1 -47.05 84.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 11.5 m -61.48 -49.69 75.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.885 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 14.9 tp60 -51.0 -47.74 61.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.95 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.563 HG23 ' CZ3' ' A' ' 36' ' ' TRP . 76.5 t -53.52 -41.02 43.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.129 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -52.16 -51.14 59.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 45.2 mttt -83.81 21.74 1.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -121.18 -37.55 2.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.936 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.471 ' CD1' HG12 ' A' ' 55' ' ' VAL . 2.2 m-85 -106.05 -51.6 2.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.866 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 62.5 mt -60.06 -43.11 92.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.153 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 70.5 tttt -49.86 -42.25 47.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.876 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 16.7 mt -63.92 -43.76 94.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.882 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 21.0 m -41.12 -58.83 1.66 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.3 ttmt 64.18 41.78 5.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.886 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -172.82 153.48 2.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.082 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 55.37 40.85 78.2 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.475 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.459 ' CG2' ' HD2' ' A' ' 68' ' ' PRO . 44.5 mt -113.38 138.6 22.53 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.63 0.728 . . . . 0.0 111.169 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.459 ' HD2' ' CG2' ' A' ' 67' ' ' ILE . 54.0 Cg_endo -69.75 152.09 69.26 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.683 2.255 . . . . 0.0 112.347 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.438 HG12 ' N ' ' A' ' 70' ' ' SER . 8.2 p -117.58 -42.39 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.105 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.438 ' N ' HG12 ' A' ' 69' ' ' VAL . 15.0 m -122.14 139.54 53.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.839 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -151.29 83.27 0.17 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.503 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -41.55 4.18 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.696 2.264 . . . . 0.0 112.348 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 52.1 m -60.04 129.96 44.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 92.6 p -75.01 -45.8 39.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.259 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.476 -179.994 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.476 ' CH2' ' HG3' ' A' ' 46' ' ' ARG . 7.8 m95 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.788 0.328 . . . . 0.0 110.947 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 13' ' ' VAL . 6.2 t -120.25 142.15 49.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.132 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.499 HG13 ' N ' ' A' ' 14' ' ' GLU . 8.1 p -34.5 -46.28 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.183 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.499 ' N ' HG13 ' A' ' 13' ' ' VAL . 40.2 mt-10 -50.31 -54.47 21.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.453 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 66.3 mt-10 -71.17 -52.29 20.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 15' ' ' GLU . 77.2 mt-30 -36.4 -59.95 0.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.0 ptpt -59.75 -41.46 91.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.9 tttp -55.87 -59.45 4.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.584 HD23 ' CE2' ' A' ' 58' ' ' TYR . 37.1 tp -49.71 -59.03 4.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.526 ' HA ' HD12 ' A' ' 23' ' ' LEU . 11.5 mt-10 -36.87 -48.62 0.76 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -66.07 -59.16 4.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.952 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.631 HD13 HG23 ' A' ' 39' ' ' ILE . 69.8 mt -45.82 -38.07 6.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.526 HD12 ' HA ' ' A' ' 20' ' ' GLU . 59.1 mt -52.65 -46.43 67.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 75.1 mt -66.28 -48.77 79.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.157 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.1 tttt -59.65 -34.98 73.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.585 ' CE1' ' HB3' ' A' ' 38' ' ' LYS . 50.6 m-85 -104.61 93.11 5.6 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.66 0.743 . . . . 0.0 110.925 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 170.0 17.59 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.634 2.223 . . . . 0.0 112.361 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.444 ' HA ' ' OE2' ' A' ' 29' ' ' GLU . 54.1 Cg_endo -69.74 163.51 37.97 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.679 2.253 . . . . 0.0 112.381 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.454 ' N ' ' OE2' ' A' ' 29' ' ' GLU . 1.1 pm0 -157.54 178.51 10.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.932 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.639 ' HG3' HG23 ' A' ' 31' ' ' VAL . 11.1 pt-20 -55.24 -46.33 76.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.639 HG23 ' HG3' ' A' ' 30' ' ' GLU . 95.3 t -102.47 118.56 49.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.169 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.544 ' HG2' ' CZ2' ' A' ' 36' ' ' TRP . 10.8 tt0 -76.45 -27.42 56.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 25.2 m -62.87 -56.91 13.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.834 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.527 ' H ' HG12 ' A' ' 31' ' ' VAL . 6.7 ptm180 -54.26 -34.25 60.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.509 ' NE ' ' CZ3' ' A' ' 36' ' ' TRP . 39.3 ttt180 -58.97 -55.52 34.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.828 ' CZ3' HG21 ' A' ' 55' ' ' VAL . 11.1 m95 -58.52 -38.64 78.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.9 tp60 -54.98 -42.44 72.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.874 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.585 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 47.2 mtmt -62.77 -56.74 14.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.873 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.631 HG23 HD13 ' A' ' 22' ' ' LEU . 39.8 mt -54.2 -53.88 25.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.149 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.72 -48.05 40.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.062 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -49.26 -43.81 43.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.83 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -64.46 -48.52 74.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.683 HD13 ' HB2' ' A' ' 46' ' ' ARG . 28.7 mt -53.76 -46.3 70.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.949 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 85.2 -42.02 3.11 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.488 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -86.83 -50.12 6.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.864 0.364 . . . . 0.0 110.925 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.683 ' HB2' HD13 ' A' ' 43' ' ' LEU . 31.0 mmt-85 -75.29 167.41 21.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 48' ' ' ALA . 65.4 p -127.89 158.02 38.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.165 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 47' ' ' THR . . . -36.22 -55.98 0.77 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.053 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.8 mmtt -55.98 -66.13 0.48 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 40.0 mm-40 -41.11 -41.07 1.66 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.635 ' O ' HG23 ' A' ' 55' ' ' VAL . 98.4 t -70.39 -40.86 78.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.178 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.49 -54.74 42.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.081 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 75.6 m -56.12 -45.06 79.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.466 ' HG3' ' CE1' ' A' ' 58' ' ' TYR . 10.7 tp60 -55.63 -46.74 77.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.941 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.828 HG21 ' CZ3' ' A' ' 36' ' ' TRP . 97.6 t -53.26 -40.77 40.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.142 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.539 ' OE1' HD11 ' A' ' 60' ' ' ILE . 16.0 mm-40 -54.6 -50.27 68.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 29.0 mttm -83.23 20.45 1.28 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.584 ' CE2' HD23 ' A' ' 19' ' ' LEU . 2.7 m-85 -118.3 -37.4 3.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.404 ' CD1' ' N ' ' A' ' 59' ' ' PHE . 2.2 m-85 -105.09 -43.06 5.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.851 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.539 HD11 ' OE1' ' A' ' 56' ' ' GLN . 57.1 mt . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.565 ' CH2' ' HG3' ' A' ' 46' ' ' ARG . 21.1 m95 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.851 0.358 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.657 HG22 ' OE2' ' A' ' 15' ' ' GLU . 9.2 t -78.04 165.48 23.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.139 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.4 p -59.3 -37.6 70.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.115 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.425 ' HA ' ' CE ' ' A' ' 17' ' ' LYS . 46.0 mt-10 -63.54 -39.76 95.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.657 ' OE2' HG22 ' A' ' 12' ' ' THR . 22.2 mt-10 -75.73 -49.73 17.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -47.84 -48.72 30.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.425 ' CE ' ' HA ' ' A' ' 14' ' ' GLU . 3.9 pttp -67.77 -49.87 60.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.611 ' HE3' HD23 ' A' ' 43' ' ' LEU . 4.8 ttpp -54.3 -63.68 1.07 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.825 ' HA ' HD12 ' A' ' 22' ' ' LEU . 25.8 tp -35.76 -53.45 0.72 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.935 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 -46.85 -51.58 16.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -61.04 -42.37 98.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.825 HD12 ' HA ' ' A' ' 19' ' ' LEU . 10.6 mt -60.78 -57.17 13.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 22' ' ' LEU . 23.5 mt -34.43 -53.43 0.51 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 18.8 mt -66.07 -47.76 83.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.126 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.6 ttmt -46.09 -55.53 6.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -87.28 122.3 70.92 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.652 0.739 . . . . 0.0 110.939 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 151.37 68.95 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.682 2.254 . . . . 0.0 112.354 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 161.34 46.31 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.736 2.291 . . . . 0.0 112.308 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -162.87 158.77 22.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -46.17 -49.0 17.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.468 HG12 ' H ' ' A' ' 34' ' ' ARG . 56.3 t -88.93 105.04 15.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.13 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.517 ' HB2' ' CZ2' ' A' ' 36' ' ' TRP . 25.3 pm0 -79.66 -31.0 41.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.891 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.432 ' N ' ' HG2' ' A' ' 32' ' ' GLU . 12.4 p -51.99 -43.44 63.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 -179.777 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.468 ' H ' HG12 ' A' ' 31' ' ' VAL . 10.8 ptm180 -74.43 -33.78 63.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 50.0 ttt180 -62.2 -48.44 80.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.706 ' CZ3' HG21 ' A' ' 55' ' ' VAL . 9.3 m95 -59.74 -45.9 90.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 30.3 tp60 -47.33 -48.23 25.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.952 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 47.9 mttm -59.01 -49.96 75.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.63 HG23 HD13 ' A' ' 22' ' ' LEU . 49.7 mt -58.46 -53.59 44.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.163 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -46.11 -51.43 13.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.078 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -40.26 -51.28 2.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -59.46 -56.62 19.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.611 HD23 ' HE3' ' A' ' 18' ' ' LYS . 10.2 mt -49.2 -60.67 2.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 94.38 -37.76 3.32 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.474 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -83.58 -51.27 7.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.78 0.324 . . . . 0.0 110.888 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.565 ' HG3' ' CH2' ' A' ' 11' ' ' TRP . 14.0 mmp_? -84.63 158.99 20.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.652 ' O ' HG23 ' A' ' 51' ' ' VAL . 59.6 p -118.29 162.8 17.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 47' ' ' THR . . . -36.57 -59.1 0.69 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.126 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.402 ' O ' ' N ' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -54.46 -68.41 0.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -42.25 -34.03 0.71 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 47' ' ' THR . 97.0 t -71.99 -39.76 66.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.113 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 49' ' ' LYS . . . -54.69 -50.32 68.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 14.7 m -59.29 -42.5 91.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -58.76 -49.83 76.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.918 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.706 HG21 ' CZ3' ' A' ' 36' ' ' TRP . 94.6 t -50.96 -34.21 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.14 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.2 mm100 -61.5 -46.02 91.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -84.11 24.63 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -122.63 -35.63 3.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.954 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.401 ' CD1' ' N ' ' A' ' 59' ' ' PHE . 2.4 m-85 -108.63 -44.91 3.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.901 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 77.3 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.108 179.966 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.545 ' CH2' ' HG3' ' A' ' 46' ' ' ARG . 30.0 m95 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.826 0.346 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.434 HG23 ' H ' ' A' ' 15' ' ' GLU . 10.2 t -110.51 154.0 24.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.144 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.496 HG13 ' N ' ' A' ' 14' ' ' GLU . 7.2 p -38.36 -45.39 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.152 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.496 ' N ' HG13 ' A' ' 13' ' ' VAL . 22.7 mm-40 -57.43 -49.58 75.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.434 ' H ' HG23 ' A' ' 12' ' ' THR . 51.4 mt-10 -67.01 -55.55 13.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -37.77 -58.01 0.94 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' A' ' 18' ' ' LYS . 0.7 OUTLIER -62.25 -42.35 99.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.41 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 25.5 tttt -53.36 -58.55 6.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.907 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 17.5 tp -50.7 -45.79 58.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.641 ' O ' HD12 ' A' ' 24' ' ' ILE . 29.4 mm-40 -52.71 -54.91 27.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.853 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -59.4 -54.85 41.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.2 mt -47.97 -49.42 30.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.597 HD12 ' HA ' ' A' ' 20' ' ' GLU . 23.3 mt -40.88 -50.94 3.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.944 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.641 HD12 ' O ' ' A' ' 20' ' ' GLU . 5.3 mp -71.17 -45.93 68.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -44.48 -45.15 9.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -98.85 124.53 45.46 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.653 0.739 . . . . 0.0 110.941 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 154.5 67.61 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.66 2.24 . . . . 0.0 112.337 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 154.64 67.58 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.673 2.248 . . . . 0.0 112.35 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -151.21 162.19 41.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -55.31 -48.4 74.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 63.7 t -89.06 84.66 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.091 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.494 ' HB2' ' CE2' ' A' ' 36' ' ' TRP . 1.7 pm0 -53.33 -34.46 57.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.435 ' N ' ' HG2' ' A' ' 32' ' ' GLU . 14.5 t -42.51 -54.77 3.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.8 mtp180 -58.25 -57.02 14.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.882 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 64.4 ttt180 -40.72 -46.88 2.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.531 ' CZ3' HG21 ' A' ' 55' ' ' VAL . 8.3 m95 -65.66 -43.73 88.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -54.62 -44.4 73.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 72.0 mttt -63.45 -55.62 22.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 34.5 mt -55.0 -53.39 34.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.073 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.527 ' HB1' ' HA ' ' A' ' 47' ' ' THR . . . -51.13 -50.24 59.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.111 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -42.58 -58.13 2.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.857 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -47.32 -55.88 7.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.443 ' CD1' ' HB2' ' A' ' 46' ' ' ARG . 67.7 mt -47.45 -46.49 26.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 89.17 -43.77 3.07 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.495 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -86.35 -44.88 11.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.866 0.365 . . . . 0.0 110.921 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.545 ' HG3' ' CH2' ' A' ' 11' ' ' TRP . 2.8 mmp_? -74.94 173.58 10.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.527 ' HA ' ' HB1' ' A' ' 40' ' ' ALA . 58.4 p -142.94 157.41 44.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.109 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 47' ' ' THR . . . -34.09 -52.93 0.47 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.114 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.409 ' O ' ' N ' ' A' ' 52' ' ' ALA . 8.9 mmtp -58.85 -70.04 0.17 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.873 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 54.3 mm-40 -40.04 -35.92 0.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.963 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.487 ' O ' HG23 ' A' ' 55' ' ' VAL . 86.6 t -72.68 -42.99 62.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.158 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 49' ' ' LYS . . . -57.01 -49.44 75.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.108 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 74.0 m -65.05 -28.9 69.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.441 ' O ' ' CD1' ' A' ' 58' ' ' TYR . 14.3 tp60 -77.29 -39.72 47.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.945 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.576 HG22 HD21 ' A' ' 23' ' ' LEU . 81.5 t -70.28 -46.88 69.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.486 ' HG3' ' N ' ' A' ' 57' ' ' LYS . 11.4 pt20 -52.55 -36.67 56.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.486 ' N ' ' HG3' ' A' ' 56' ' ' GLN . 75.1 mttt -91.49 21.74 4.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.441 ' CD1' ' O ' ' A' ' 54' ' ' GLN . 2.6 m-85 -119.79 -37.43 3.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.427 ' CD1' ' N ' ' A' ' 59' ' ' PHE . 1.9 m-85 -103.26 -38.32 7.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.86 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 28.3 mt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.136 179.997 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.539 ' CE2' ' HD2' ' A' ' 46' ' ' ARG . 10.7 m0 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.865 0.364 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 13' ' ' VAL . 6.1 t -118.32 148.26 42.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.136 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.443 ' C ' ' O ' ' A' ' 12' ' ' THR . 78.1 t -33.86 -49.27 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.145 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -53.13 -61.46 2.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.938 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.58 -41.48 77.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -49.01 -66.39 0.41 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.402 ' CE ' HG12 ' A' ' 13' ' ' VAL . 13.2 ptpt -59.53 -40.63 87.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 50.3 tttp -54.97 -43.27 73.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 1.023 HD23 ' CE2' ' A' ' 58' ' ' TYR . 25.5 tp -64.25 -60.1 3.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.615 ' HA ' HD12 ' A' ' 23' ' ' LEU . 25.5 mt-10 -36.51 -44.18 0.43 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.872 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 -64.69 -59.69 3.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.988 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.521 HD12 ' HA ' ' A' ' 19' ' ' LEU . 10.8 mt -44.31 -49.91 9.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.615 HD12 ' HA ' ' A' ' 20' ' ' GLU . 16.9 mt -38.69 -47.96 1.42 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 18.9 mt -66.73 -53.14 37.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.152 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.2 ttmt -49.84 -41.11 44.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 62.8 m-85 -100.69 99.6 10.53 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.657 0.741 . . . . 0.0 110.934 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 170.04 17.56 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.662 2.241 . . . . 0.0 112.355 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.442 ' HA ' ' OE2' ' A' ' 29' ' ' GLU . 53.6 Cg_endo -69.77 167.12 25.37 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.676 2.251 . . . . 0.0 112.344 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.542 ' N ' ' CD ' ' A' ' 29' ' ' GLU . 0.8 OUTLIER -156.4 -179.04 7.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.838 -179.925 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.418 ' HG3' HG23 ' A' ' 31' ' ' VAL . 5.3 pt-20 -63.78 -41.78 97.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.418 HG23 ' HG3' ' A' ' 30' ' ' GLU . 44.5 t -98.18 114.22 35.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.125 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.488 ' O ' ' NE1' ' A' ' 36' ' ' TRP . 6.4 tp10 -82.31 39.31 0.58 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 27.6 t -128.36 -55.11 1.26 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 -55.07 -31.72 61.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.858 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.437 ' HB2' ' CD ' ' A' ' 29' ' ' GLU . 65.0 ttt180 -61.44 -43.58 98.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.541 ' CZ3' HG21 ' A' ' 55' ' ' VAL . 12.2 m95 -68.42 -42.94 78.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.939 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 21.7 tp60 -55.09 -52.77 62.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.907 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 33.5 mtmt -54.34 -55.77 25.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.421 HG23 HD13 ' A' ' 22' ' ' LEU . 39.8 mt -54.63 -47.07 73.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.129 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.459 ' HB1' ' HA ' ' A' ' 47' ' ' THR . . . -49.99 -54.0 22.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.086 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -51.22 -43.79 61.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.868 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -63.84 -45.47 89.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.486 ' CD1' HG22 ' A' ' 51' ' ' VAL . 32.5 mt -51.32 -38.75 54.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.945 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 124.34 -80.53 0.36 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.51 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -99.9 -33.48 10.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.827 0.346 . . . . 0.0 110.896 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.539 ' HD2' ' CE2' ' A' ' 11' ' ' TRP . 15.4 mmp_? -49.88 145.63 5.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.459 ' HA ' ' HB1' ' A' ' 40' ' ' ALA . 19.7 p -115.35 161.27 18.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 47' ' ' THR . . . -35.12 -53.31 0.6 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.112 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 50' ' ' GLN . 8.9 mmtp -56.97 -70.0 0.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' A' ' 49' ' ' LYS . 92.0 mm-40 -37.04 -38.18 0.18 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.901 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.486 HG22 ' CD1' ' A' ' 43' ' ' LEU . 67.8 t -74.04 -47.97 40.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.67 -44.18 85.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 t -72.43 -11.88 60.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 10.0 tp60 -90.41 -28.89 18.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.907 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.541 HG21 ' CZ3' ' A' ' 36' ' ' TRP . 90.9 t -74.81 -45.73 43.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.168 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.484 ' HG3' ' N ' ' A' ' 57' ' ' LYS . 18.1 pt20 -41.95 -46.42 4.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.949 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.484 ' N ' ' HG3' ' A' ' 56' ' ' GLN . 55.7 mttt -75.82 -48.63 20.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 1.023 ' CE2' HD23 ' A' ' 19' ' ' LEU . 3.6 m-30 -41.28 -24.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.446 ' N ' ' O ' ' A' ' 57' ' ' LYS . 1.9 m-85 -116.09 -39.26 3.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.831 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.725 HG22 ' O ' ' A' ' 60' ' ' ILE . 30.1 mt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.155 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.573 ' CH2' ' HG3' ' A' ' 46' ' ' ARG . 7.0 m95 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.841 0.353 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.2 t -100.96 148.62 24.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.127 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.493 HG12 ' HD2' ' A' ' 17' ' ' LYS . 97.1 t -41.55 -53.66 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.166 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -42.09 -36.09 1.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.85 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 18' ' ' LYS . 39.7 mt-10 -91.26 -54.26 4.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -46.66 -29.28 1.78 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.951 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.493 ' HD2' HG12 ' A' ' 13' ' ' VAL . 7.6 ptmt -86.04 -25.87 25.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 15' ' ' GLU . 26.7 tttp -79.23 -47.83 15.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.595 HD23 ' CE2' ' A' ' 58' ' ' TYR . 31.8 tp -56.26 -57.54 11.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.937 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.427 ' HA ' HD12 ' A' ' 23' ' ' LEU . 70.8 mm-40 -43.35 -38.16 2.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -76.68 -55.23 5.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.666 HD13 HG23 ' A' ' 39' ' ' ILE . 23.1 mt -50.03 -33.08 17.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.427 HD12 ' HA ' ' A' ' 20' ' ' GLU . 28.9 mt -55.03 -42.8 73.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 22.9 mt -72.14 -50.12 38.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.497 ' HD2' ' CE2' ' A' ' 26' ' ' TYR . 2.9 tmtm? -55.27 -41.21 71.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.575 ' CE1' ' HB3' ' A' ' 38' ' ' LYS . 53.4 m-85 -104.91 92.23 5.05 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.677 0.751 . . . . 0.0 110.954 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 169.51 18.8 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.661 2.24 . . . . 0.0 112.368 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 162.23 42.89 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.685 2.257 . . . . 0.0 112.316 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -154.85 -177.08 6.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.561 ' HG3' HG23 ' A' ' 31' ' ' VAL . 6.1 pt-20 -59.99 -47.31 86.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.899 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.561 HG23 ' HG3' ' A' ' 30' ' ' GLU . 83.2 t -102.35 100.04 9.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.124 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.407 ' HG2' ' N ' ' A' ' 33' ' ' SER . 0.7 OUTLIER -60.67 -35.54 76.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.407 ' N ' ' HG2' ' A' ' 32' ' ' GLU . 6.9 p -44.37 -48.24 9.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.84 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.3 mtp180 -66.69 -46.44 75.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.859 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 45.4 ttt180 -45.74 -46.63 15.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.895 ' CZ3' HG21 ' A' ' 55' ' ' VAL . 16.1 m95 -72.35 -28.04 62.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -70.49 -49.51 47.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.91 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.575 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 65.9 mttt -54.68 -43.33 72.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.666 HG23 HD13 ' A' ' 22' ' ' LEU . 26.4 mt -67.64 -51.97 45.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.12 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.469 ' HA ' HD12 ' A' ' 43' ' ' LEU . . . -48.8 -53.72 18.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.128 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -42.32 -57.61 2.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -50.34 -50.38 51.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.497 HD13 ' HB2' ' A' ' 46' ' ' ARG . 26.6 mt -56.52 -46.5 80.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 80.98 -41.73 2.63 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.522 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -82.57 -45.31 14.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.807 0.337 . . . . 0.0 110.895 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.573 ' HG3' ' CH2' ' A' ' 11' ' ' TRP . 11.7 mmp_? -85.67 164.87 17.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 48' ' ' ALA . 10.4 p -125.43 157.61 36.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.168 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 47' ' ' THR . . . -36.29 -47.91 0.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.09 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.21 -64.76 0.8 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -46.04 -33.38 3.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.884 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.855 ' O ' HG23 ' A' ' 55' ' ' VAL . 63.3 t -75.83 -39.35 38.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.167 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.7 -46.05 89.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.082 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 30.6 p -65.54 -45.42 83.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -56.62 -43.94 80.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.895 HG21 ' CZ3' ' A' ' 36' ' ' TRP . 90.9 t -56.03 -38.44 53.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.133 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 34.2 mm-40 -56.94 -47.46 80.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.4 mtpp -84.72 16.78 3.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.595 ' CE2' HD23 ' A' ' 19' ' ' LEU . 2.9 m-30 -116.69 -13.45 10.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -132.28 -52.48 0.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 71.8 mt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.129 -179.991 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.557 ' CH2' ' HG3' ' A' ' 46' ' ' ARG . 55.8 m95 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.805 0.336 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 13' ' ' VAL . 14.6 t -88.92 152.99 21.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.152 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.536 HG13 ' N ' ' A' ' 14' ' ' GLU . 9.3 p -35.71 -47.48 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.122 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.536 ' N ' HG13 ' A' ' 13' ' ' VAL . 14.0 mt-10 -51.43 -52.43 46.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -69.45 -47.97 62.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -41.71 -53.35 3.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.472 ' HG3' ' N ' ' A' ' 18' ' ' LYS . 16.6 pttp -71.75 -35.26 70.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.524 ' CD ' HD11 ' A' ' 22' ' ' LEU . 1.2 tmtp? -59.1 -62.12 2.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.921 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.454 ' HA ' HD12 ' A' ' 22' ' ' LEU . 10.9 tp -47.62 -47.31 28.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.939 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.632 ' HA ' HD12 ' A' ' 23' ' ' LEU . 23.8 mm-40 -49.72 -48.73 49.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -62.73 -41.53 99.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.524 HD11 ' CD ' ' A' ' 18' ' ' LYS . 22.9 mt -62.44 -51.17 68.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.632 HD12 ' HA ' ' A' ' 20' ' ' GLU . 56.5 mt -38.64 -52.56 1.65 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 29.2 mt -61.49 -46.97 95.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.106 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.4 tttt -56.29 -43.25 78.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.571 ' CE1' ' HB3' ' A' ' 38' ' ' LYS . 60.2 m-85 -105.51 93.22 6.77 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.677 0.751 . . . . 0.0 110.895 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 26' ' ' TYR . 53.3 Cg_endo -69.84 170.04 17.6 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.633 2.222 . . . . 0.0 112.333 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 113.89 3.53 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.657 2.238 . . . . 0.0 112.342 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -104.61 163.45 12.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.74 ' HG3' HG23 ' A' ' 31' ' ' VAL . 10.0 pt-20 -38.22 -44.23 0.84 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.74 HG23 ' HG3' ' A' ' 30' ' ' GLU . 27.3 t -104.09 94.95 3.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.11 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.491 ' HG2' ' CE2' ' A' ' 36' ' ' TRP . 17.5 tt0 -49.8 -45.29 49.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 43.6 t -46.58 -51.01 16.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 47.4 mtt-85 -55.43 -49.29 72.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.888 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 48.1 ttt180 -45.94 -52.63 11.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.784 ' CZ3' HG21 ' A' ' 55' ' ' VAL . 12.4 m95 -59.1 -46.2 88.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -51.17 -46.27 62.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.917 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.571 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 38.9 mttm -60.59 -46.84 88.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 73.4 mt -59.77 -56.47 17.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.167 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 41' ' ' ASP . . . -52.24 -58.0 7.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.126 179.771 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 40' ' ' ALA . 10.5 t0 -35.38 -54.95 0.66 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -56.74 -49.53 74.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.4 mt -56.54 -44.07 80.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.56 -42.12 2.39 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.452 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 40.0 t-20 -78.52 -47.04 18.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.784 0.326 . . . . 0.0 110.878 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.557 ' HG3' ' CH2' ' A' ' 11' ' ' TRP . 7.2 mmt-85 -85.44 169.02 14.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.442 ' O ' HG23 ' A' ' 51' ' ' VAL . 58.6 p -125.93 157.53 37.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 47' ' ' THR . . . -37.27 -55.48 1.01 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 52' ' ' ALA . 8.4 mmtp -56.41 -66.95 0.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.932 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 41.8 mm-40 -39.22 -39.88 0.67 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.72 ' O ' HG23 ' A' ' 55' ' ' VAL . 97.2 t -68.91 -42.15 82.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 49' ' ' LYS . . . -57.19 -50.88 71.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.146 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 18.1 m -57.76 -47.55 82.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.545 ' HG3' ' CE1' ' A' ' 58' ' ' TYR . 7.4 tp60 -55.83 -40.16 72.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.784 HG21 ' CZ3' ' A' ' 36' ' ' TRP . 94.9 t -56.17 -45.44 80.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.142 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -48.07 -50.92 26.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.11 24.2 0.96 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.545 ' CE1' ' HG3' ' A' ' 54' ' ' GLN . 3.6 m-85 -124.72 -35.06 2.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.92 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.431 ' CE1' HG13 ' A' ' 55' ' ' VAL . 2.1 m-85 -109.63 -50.3 3.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.906 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 69.4 mt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.136 179.967 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.561 ' CD1' ' NE2' ' A' ' 54' ' ' GLN . 11.1 m95 . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.884 0.373 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.405 ' O ' ' N ' ' A' ' 15' ' ' GLU . 12.3 t -105.19 149.13 26.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.193 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.462 HG13 ' N ' ' A' ' 14' ' ' GLU . 7.7 p -38.63 -44.58 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.142 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.462 ' N ' HG13 ' A' ' 13' ' ' VAL . 15.7 mt-10 -52.36 -42.94 64.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.495 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 48.1 mt-10 -81.83 -36.09 28.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.904 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -48.03 -65.06 0.63 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.1 pttt -51.9 -44.29 63.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.79 -67.11 0.34 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 40.8 tp -45.72 -54.63 7.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -48.96 -53.29 20.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -61.41 -61.44 2.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.931 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.435 HD13 HG23 ' A' ' 39' ' ' ILE . 87.8 mt -46.29 -40.19 11.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.561 HD21 HG22 ' A' ' 55' ' ' VAL . 27.0 mt -53.82 -48.24 70.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 43.6 mt -69.76 -42.24 80.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 43.6 tttp -64.31 -31.61 72.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.485 ' CE1' ' HB3' ' A' ' 38' ' ' LYS . 39.3 m-85 -102.06 97.65 8.74 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.685 0.755 . . . . 0.0 110.919 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 26' ' ' TYR . 53.7 Cg_endo -69.77 170.08 17.42 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.674 2.249 . . . . 0.0 112.386 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.447 ' HA ' ' OE2' ' A' ' 29' ' ' GLU . 53.9 Cg_endo -69.74 164.47 34.39 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.725 2.283 . . . . 0.0 112.353 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.447 ' OE2' ' HA ' ' A' ' 28' ' ' PRO . 1.5 pm0 -154.55 -175.36 5.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -60.24 -50.65 72.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.515 HG12 ' H ' ' A' ' 33' ' ' SER . 2.1 t -98.02 134.56 35.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.116 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.59 ' O ' ' CD1' ' A' ' 36' ' ' TRP . 37.0 tt0 -89.34 -1.05 57.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.515 ' H ' HG12 ' A' ' 31' ' ' VAL . 4.7 t -96.7 -27.19 14.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.842 -179.759 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.469 ' HD2' ' N ' ' A' ' 34' ' ' ARG . 0.6 OUTLIER -77.68 -26.06 49.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.889 -179.944 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.426 ' HB2' ' CD ' ' A' ' 29' ' ' GLU . 67.7 ttt180 -69.12 -44.84 71.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.754 ' CZ3' HG21 ' A' ' 55' ' ' VAL . 12.4 m95 -67.06 -42.6 84.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.916 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -50.97 -40.31 57.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.94 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.485 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 38.5 mttm -69.89 -59.55 2.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.435 HG23 HD13 ' A' ' 22' ' ' LEU . 67.9 mt -47.36 -43.65 8.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.093 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.25 -49.41 77.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.087 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -45.62 -47.13 14.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -59.03 -45.66 90.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.768 HD13 ' HB2' ' A' ' 46' ' ' ARG . 9.7 mt -60.56 -58.05 10.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 98.81 -38.97 2.89 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.525 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -93.35 -45.09 7.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.803 0.335 . . . . 0.0 110.896 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.768 ' HB2' HD13 ' A' ' 43' ' ' LEU . 77.3 mmt-85 -77.09 167.02 22.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.645 ' O ' HG23 ' A' ' 51' ' ' VAL . 40.5 p -129.3 163.47 25.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.13 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -39.11 -51.32 1.89 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.485 ' O ' ' N ' ' A' ' 52' ' ' ALA . 10.8 mmmt -61.08 -71.28 0.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -38.46 -29.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 47' ' ' THR . 91.3 t -78.64 -42.25 25.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.155 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.485 ' N ' ' O ' ' A' ' 49' ' ' LYS . . . -61.67 -49.87 74.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.104 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.4 t -53.47 -38.5 63.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.561 ' NE2' ' CD1' ' A' ' 11' ' ' TRP . 9.5 tp60 -65.56 -52.05 55.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.912 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.754 HG21 ' CZ3' ' A' ' 36' ' ' TRP . 95.8 t -52.47 -36.11 21.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.161 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -55.41 -50.07 70.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.948 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.3 mttp -82.49 18.13 1.57 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -114.21 -39.26 3.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -103.11 -44.13 5.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 56.6 mt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.142 179.957 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.559 ' CH2' ' HG3' ' A' ' 46' ' ' ARG . 40.9 m95 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.884 0.373 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.7 t -93.92 158.6 15.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.131 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.526 HG13 ' N ' ' A' ' 14' ' ' GLU . 8.3 p -45.14 -47.36 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.094 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.526 ' N ' HG13 ' A' ' 13' ' ' VAL . 59.6 mm-40 -52.59 -48.33 66.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 16' ' ' GLN . 46.6 mt-10 -68.82 -55.47 11.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 15' ' ' GLU . 47.9 mt-30 -36.84 -61.91 0.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.45 ' HG3' ' N ' ' A' ' 18' ' ' LYS . 13.3 ptpt -55.67 -49.65 72.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.45 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 21.1 tttp -50.56 -59.35 4.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.475 HD22 ' CH2' ' A' ' 11' ' ' TRP . 24.3 tp -54.38 -66.8 0.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.959 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 19' ' ' LEU . 69.1 mt-10 -35.54 -40.59 0.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 24.2 mm-40 -70.18 -52.28 24.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 24.9 mt -57.9 -50.83 72.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.424 HD12 ' HG ' ' A' ' 19' ' ' LEU . 15.9 mt -41.53 -44.91 3.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 44.3 mt -77.76 -39.78 26.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.542 ' HD2' ' CE2' ' A' ' 26' ' ' TYR . 1.4 tmtp? -53.87 -44.64 70.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.888 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.542 ' CE2' ' HD2' ' A' ' 25' ' ' LYS . 54.6 m-85 -91.55 120.23 68.28 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.698 0.761 . . . . 0.0 110.919 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 155.43 65.81 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.666 2.244 . . . . 0.0 112.333 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 172.03 13.44 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.707 2.272 . . . . 0.0 112.333 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.427 ' CD ' ' HD2' ' A' ' 34' ' ' ARG . 5.3 pt-20 -162.91 173.34 13.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -50.59 -47.55 58.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.559 HG12 ' H ' ' A' ' 34' ' ' ARG . 69.2 t -104.56 113.42 41.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.143 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -72.72 -31.04 64.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.2 t -53.07 -48.43 67.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.559 ' H ' HG12 ' A' ' 31' ' ' VAL . 6.5 ptp85 -66.1 -28.18 68.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.4 ' N ' ' HG3' ' A' ' 34' ' ' ARG . 55.8 ttt180 -69.04 -44.05 73.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.517 ' CH2' HG11 ' A' ' 55' ' ' VAL . 13.3 m95 -63.55 -36.4 83.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.824 ' HA ' ' HB2' ' A' ' 48' ' ' ALA . 5.3 tp-100 -57.3 -48.25 79.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.939 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.1 mttt -58.74 -46.54 87.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.929 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 62.7 mt -62.0 -44.46 98.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.434 ' O ' ' C ' ' A' ' 41' ' ' ASP . . . -55.09 -56.4 20.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.084 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 40' ' ' ALA . 4.1 t70 -34.54 -59.45 0.46 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.887 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -52.45 -50.25 63.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.8 mt -56.85 -41.85 78.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.933 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 75.7 -46.92 2.07 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.522 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -74.46 -50.59 17.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.788 0.328 . . . . 0.0 110.912 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.559 ' HG3' ' CH2' ' A' ' 11' ' ' TRP . 8.1 mmt180 -85.14 157.35 20.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.841 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.488 ' O ' ' N ' ' A' ' 49' ' ' LYS . 38.6 p -119.12 156.3 30.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.824 ' HB2' ' HA ' ' A' ' 37' ' ' GLN . . . -38.18 -26.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.113 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 47' ' ' THR . 0.1 OUTLIER -81.04 -67.34 0.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -47.0 -31.79 3.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.893 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.73 ' O ' HG23 ' A' ' 55' ' ' VAL . 98.1 t -69.94 -42.05 79.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.68 -47.36 82.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.083 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 93.1 p -55.76 -46.9 77.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.826 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.4 ' HG3' ' CE1' ' A' ' 58' ' ' TYR . 4.4 tp-100 -62.76 -43.66 98.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.93 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.73 HG23 ' O ' ' A' ' 51' ' ' VAL . 91.2 t -51.69 -32.85 14.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.127 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.472 ' OE1' HD11 ' A' ' 60' ' ' ILE . 12.2 mm100 -58.27 -43.24 87.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -90.19 18.81 5.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.4 ' CE1' ' HG3' ' A' ' 54' ' ' GLN . 3.7 m-85 -119.1 -24.64 6.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.426 ' CD1' ' N ' ' A' ' 59' ' ' PHE . 1.9 m-85 -120.9 -44.8 2.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.472 HD11 ' OE1' ' A' ' 56' ' ' GLN . 20.8 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.168 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.585 ' CZ3' ' HB3' ' A' ' 15' ' ' GLU . 12.6 m95 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.83 0.348 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.455 HG23 ' HB2' ' A' ' 14' ' ' GLU . 8.9 t -140.31 148.39 41.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.157 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.446 ' C ' ' O ' ' A' ' 12' ' ' THR . 77.3 t -33.08 -45.29 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.171 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.497 ' O ' ' CB ' ' A' ' 18' ' ' LYS . 14.1 mt-10 -48.91 -68.42 0.18 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.585 ' HB3' ' CZ3' ' A' ' 11' ' ' TRP . 48.7 mm-40 -61.94 -37.36 84.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.856 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -45.47 -70.2 0.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.42 ' NZ ' ' HA ' ' A' ' 14' ' ' GLU . 8.4 pttm -72.63 -44.23 62.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.497 ' CB ' ' O ' ' A' ' 14' ' ' GLU . 54.4 tttt -50.39 -31.13 13.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.907 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.423 HD22 ' CH2' ' A' ' 11' ' ' TRP . 9.4 tp -75.96 -56.51 4.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.756 ' HA ' HD12 ' A' ' 23' ' ' LEU . 62.8 mt-10 -43.67 -43.39 5.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.881 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -63.16 -50.01 72.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.59 ' HB3' HG23 ' A' ' 39' ' ' ILE . 27.1 mt -53.64 -50.13 66.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.756 HD12 ' HA ' ' A' ' 20' ' ' GLU . 21.1 mt -42.02 -45.43 3.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 37.1 mt -66.07 -43.43 92.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.104 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 64.8 tttt -59.68 -44.76 93.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.895 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.478 ' CE1' ' HB3' ' A' ' 38' ' ' LYS . 68.1 m-85 -97.02 103.53 15.45 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.698 0.761 . . . . 0.0 110.926 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' ' 26' ' ' TYR . 54.3 Cg_endo -69.78 161.78 44.63 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.665 2.244 . . . . 0.0 112.387 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 126.32 13.16 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.681 2.254 . . . . 0.0 112.355 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.418 ' OE2' ' CE ' ' A' ' 38' ' ' LYS . 11.7 pt-20 -111.77 177.62 4.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -53.5 -49.09 68.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.502 HG12 ' H ' ' A' ' 34' ' ' ARG . 59.0 t -93.33 117.29 36.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.084 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.459 ' HG3' ' CZ2' ' A' ' 36' ' ' TRP . 6.0 tp10 -64.84 -42.58 94.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.5 t -55.3 -58.88 5.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.839 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.502 ' H ' HG12 ' A' ' 31' ' ' VAL . 28.8 mtt180 -43.97 -47.89 8.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.883 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 66.3 ttt180 -49.23 -63.91 0.96 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.668 ' CZ3' HG21 ' A' ' 55' ' ' VAL . 8.7 m95 -46.69 -47.14 20.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.926 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 21.0 tp60 -51.42 -46.54 62.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.94 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.478 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 43.4 mttm -58.48 -60.15 4.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.59 HG23 ' HB3' ' A' ' 22' ' ' LEU . 24.5 mt -52.17 -48.17 43.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.153 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -51.61 -57.52 8.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.074 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -38.16 -47.79 1.19 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.822 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -59.08 -49.32 78.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.418 HD22 ' CD ' ' A' ' 15' ' ' GLU . 85.6 mt -61.68 -52.44 64.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 94.73 -58.48 1.84 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 28.2 m-20 -67.93 -43.24 79.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.866 0.365 . . . . 0.0 110.91 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.56 ' HG3' ' CH2' ' A' ' 11' ' ' TRP . 15.6 mmp_? -83.63 160.31 21.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.885 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.459 ' O ' HG23 ' A' ' 51' ' ' VAL . 8.2 p -128.02 169.19 14.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.145 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -48.41 -26.41 2.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.091 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.2 mmtt -79.6 -65.81 0.95 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -48.49 -28.47 3.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.942 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.953 ' O ' HG23 ' A' ' 55' ' ' VAL . 86.3 t -81.33 -37.81 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.085 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.73 -49.67 76.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.045 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -66.43 -42.0 88.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.817 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.455 ' HG3' ' CE1' ' A' ' 58' ' ' TYR . 4.5 tp60 -60.94 -46.89 88.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.953 HG23 ' O ' ' A' ' 51' ' ' VAL . 92.6 t -53.35 -37.48 29.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 47.9 mm-40 -57.5 -48.44 79.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.5 mttp -83.91 23.61 1.0 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.956 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.455 ' CE1' ' HG3' ' A' ' 54' ' ' GLN . 3.1 m-85 -121.96 -33.48 3.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.401 ' N ' ' CD1' ' A' ' 59' ' ' PHE . 2.4 m-85 -110.76 -44.45 3.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 79.0 mt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.133 179.962 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.538 ' CZ2' ' HG3' ' A' ' 46' ' ' ARG . 12.4 m95 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.84 0.353 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.564 HG23 ' H ' ' A' ' 15' ' ' GLU . 10.3 t -119.54 139.93 51.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.411 HG13 ' N ' ' A' ' 14' ' ' GLU . 7.2 p -36.68 -41.52 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.136 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.411 ' N ' HG13 ' A' ' 13' ' ' VAL . 6.2 mm-40 -58.33 -43.96 88.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.564 ' H ' HG23 ' A' ' 12' ' ' THR . 0.0 OUTLIER -80.6 -53.17 6.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.94 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 15' ' ' GLU . 91.0 mt-30 -37.01 -53.15 0.97 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.6 ptmm? -69.03 -38.45 79.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.547 ' CD ' HD11 ' A' ' 22' ' ' LEU . 1.9 tmtp? -57.33 -45.77 83.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.632 HD23 ' CE2' ' A' ' 58' ' ' TYR . 24.8 tp -55.7 -51.51 67.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.946 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -42.07 -49.97 4.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.828 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -63.64 -44.61 93.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.547 HD11 ' CD ' ' A' ' 18' ' ' LYS . 22.4 mt -60.14 -60.24 4.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.468 ' HG ' ' CD1' ' A' ' 19' ' ' LEU . 38.0 mt -34.67 -47.06 0.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 18.5 mt -67.29 -42.36 87.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.487 ' N ' ' O ' ' A' ' 22' ' ' LEU . 13.5 tttp -62.62 -38.62 90.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.528 ' CE1' ' HB3' ' A' ' 38' ' ' LYS . 51.9 m-85 -104.78 92.73 5.39 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.682 0.753 . . . . 0.0 110.924 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 166.86 26.27 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.637 2.225 . . . . 0.0 112.315 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 111.97 2.94 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.702 2.268 . . . . 0.0 112.364 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.43 ' O ' ' C ' ' A' ' 30' ' ' GLU . 9.1 pt-20 -97.14 179.43 4.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.908 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.719 ' HG3' HG23 ' A' ' 31' ' ' VAL . 6.0 pt-20 -36.03 -48.55 0.6 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.719 HG23 ' HG3' ' A' ' 30' ' ' GLU . 1.8 t -111.02 152.14 13.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.165 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.601 ' O ' ' CD1' ' A' ' 36' ' ' TRP . 0.0 OUTLIER -99.62 -21.26 15.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.408 ' H ' HG12 ' A' ' 31' ' ' VAL . 72.1 m -75.91 -19.4 58.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.452 ' N ' ' CD ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -87.7 -46.43 9.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.919 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 34.9 ttt180 -46.35 -41.09 12.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.857 ' CZ3' HG21 ' A' ' 55' ' ' VAL . 11.9 m95 -63.65 -38.02 89.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.1 tp60 -57.34 -46.39 83.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.528 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 52.5 mttm -63.93 -45.9 87.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 38.6 mt -61.13 -54.17 38.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.158 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -47.32 -50.72 21.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -46.17 -50.01 16.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.826 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -55.54 -49.65 72.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.522 HD23 ' HD2' ' A' ' 18' ' ' LYS . 20.6 mt -60.41 -58.8 6.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.53 -30.79 6.56 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.427 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -87.07 -47.11 9.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.82 0.343 . . . . 0.0 110.843 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.538 ' HG3' ' CZ2' ' A' ' 11' ' ' TRP . 8.7 mmt180 -86.8 -178.79 6.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.882 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.508 ' O ' HG23 ' A' ' 51' ' ' VAL . 50.5 p -138.22 157.6 45.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.114 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 47' ' ' THR . . . -34.21 -58.51 0.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.126 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.425 ' O ' ' N ' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -54.65 -70.0 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -39.01 -39.29 0.53 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.944 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.651 ' O ' HG23 ' A' ' 55' ' ' VAL . 99.1 t -68.83 -43.04 82.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.114 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 49' ' ' LYS . . . -56.59 -41.63 77.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.065 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.7 t -70.36 -38.52 74.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.858 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.49 ' HG3' ' CE1' ' A' ' 58' ' ' TYR . 6.1 tp60 -66.54 -30.2 70.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.87 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.857 HG21 ' CZ3' ' A' ' 36' ' ' TRP . 79.1 t -64.06 -47.51 89.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.119 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.488 ' OE1' ' CG ' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -51.97 -39.33 59.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.488 ' CG ' ' OE1' ' A' ' 56' ' ' GLN . 33.3 mttt -88.47 20.82 3.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.632 ' CE2' HD23 ' A' ' 19' ' ' LEU . 2.8 m-85 -121.18 -22.4 6.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.4 ' HE1' HD13 ' A' ' 23' ' ' LEU . 2.5 m-85 -121.93 -30.94 4.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.912 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 35.2 mt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.085 -179.957 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.588 ' CG ' ' NE2' ' A' ' 54' ' ' GLN . 12.2 m95 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.893 0.378 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.59 HG23 ' H ' ' A' ' 15' ' ' GLU . 12.7 t -118.32 154.84 31.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.124 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.533 HG13 ' N ' ' A' ' 14' ' ' GLU . 6.1 p -46.52 -49.43 6.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.11 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.533 ' N ' HG13 ' A' ' 13' ' ' VAL . 31.0 mm-40 -51.34 -46.95 62.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.59 ' H ' HG23 ' A' ' 12' ' ' THR . 30.5 mt-10 -68.41 -50.08 55.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -43.3 -48.42 6.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.903 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.487 ' NZ ' HG22 ' A' ' 13' ' ' VAL . 8.2 ptpp? -76.76 -34.87 58.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.867 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.5 tttp -63.67 -66.19 0.58 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 20' ' ' GLU . 10.8 tp -44.17 -58.6 2.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.637 ' O ' HD12 ' A' ' 24' ' ' ILE . 43.3 mt-10 -37.89 -56.75 1.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -59.91 -42.89 94.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.926 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.403 HD13 HG23 ' A' ' 39' ' ' ILE . 30.6 mt -59.45 -38.28 80.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.442 ' O ' ' NH2' ' A' ' 35' ' ' ARG . 73.1 mt -54.15 -51.15 65.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.637 HD12 ' O ' ' A' ' 20' ' ' GLU . 5.3 mp -72.34 -44.13 63.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.3 tttp -56.53 -34.21 66.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.866 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -94.48 122.44 61.04 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.721 0.772 . . . . 0.0 110.909 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 170.1 17.38 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.711 2.274 . . . . 0.0 112.334 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 166.51 27.3 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.666 2.244 . . . . 0.0 112.372 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.499 ' OE1' ' N ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -139.59 -178.04 5.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.877 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -71.09 -47.69 56.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.91 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.473 ' O ' ' C ' ' A' ' 32' ' ' GLU . 22.6 t -117.02 117.73 56.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.132 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.525 ' HG2' ' CE2' ' A' ' 36' ' ' TRP . 6.8 tt0 -32.85 -64.9 0.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.862 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 32' ' ' GLU . 5.4 p -35.85 -56.93 0.69 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.826 -179.748 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.473 ' CG ' ' HB ' ' A' ' 31' ' ' VAL . 23.1 mmt180 -39.66 -51.79 2.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.835 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.442 ' NH2' ' O ' ' A' ' 23' ' ' LEU . 72.1 ttt180 -52.45 -67.14 0.28 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.525 ' CE2' ' HG2' ' A' ' 32' ' ' GLU . 5.5 m95 -44.92 -46.79 11.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.626 ' HA ' ' HB2' ' A' ' 48' ' ' ALA . 6.3 tp60 -49.19 -34.11 13.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.89 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.5 mttm -75.81 -59.55 2.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.403 HG23 HD13 ' A' ' 22' ' ' LEU . 50.5 mt -48.36 -42.16 11.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.099 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -53.54 -54.28 39.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.083 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -39.42 -48.04 1.88 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -57.06 -53.39 58.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.487 HD13 ' HB2' ' A' ' 46' ' ' ARG . 58.3 mt -56.54 -48.67 76.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 85.05 -31.78 3.64 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.498 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 23.8 m-20 -93.58 -42.18 9.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.853 0.359 . . . . 0.0 110.895 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.505 ' HD2' ' CE2' ' A' ' 11' ' ' TRP . 6.1 mmp_? -86.02 160.48 19.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.444 ' O ' ' C ' ' A' ' 48' ' ' ALA . 2.3 p -125.17 157.75 35.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.166 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.626 ' HB2' ' HA ' ' A' ' 37' ' ' GLN . . . -34.39 -49.86 0.4 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.085 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.71 -68.96 0.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 71.2 mm-40 -42.7 -35.74 1.22 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.939 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.708 ' O ' HG23 ' A' ' 55' ' ' VAL . 75.7 t -73.23 -39.47 56.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.09 -49.02 77.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 61.0 m -67.48 -43.28 81.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.588 ' NE2' ' CG ' ' A' ' 11' ' ' TRP . 5.4 tp60 -55.34 -37.17 67.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.906 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.708 HG23 ' O ' ' A' ' 51' ' ' VAL . 86.6 t -66.85 -35.38 74.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -63.38 -34.52 77.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.0 mttm -97.37 14.92 24.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.406 ' C ' ' CD1' ' A' ' 59' ' ' PHE . 3.1 m-30 -115.03 -10.87 12.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.429 ' CD1' ' N ' ' A' ' 59' ' ' PHE . 2.0 m-85 -131.67 -56.14 1.0 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.916 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 59.3 mt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.107 179.984 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.53 ' CH2' ' HG3' ' A' ' 46' ' ' ARG . 11.5 m95 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.853 0.358 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.9 t -95.9 147.65 23.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.52 HG13 ' N ' ' A' ' 14' ' ' GLU . 6.9 p -38.44 -48.97 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.106 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.52 ' N ' HG13 ' A' ' 13' ' ' VAL . 17.1 mm-40 -46.04 -68.48 0.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.684 ' OE2' HD22 ' A' ' 43' ' ' LEU . 8.6 mm-40 -48.84 -54.65 14.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 15' ' ' GLU . 41.2 mt-30 -36.43 -40.45 0.24 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.923 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.7 mtmt -71.63 -65.26 0.78 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.515 ' HG2' HD11 ' A' ' 22' ' ' LEU . 33.2 tttp -42.38 -43.59 3.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.938 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.44 HD22 ' CZ3' ' A' ' 11' ' ' TRP . 39.5 tp -62.29 -46.9 86.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -53.06 -46.23 68.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 -69.21 -51.71 35.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.911 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.515 HD11 ' HG2' ' A' ' 18' ' ' LYS . 10.7 mt -52.04 -48.47 64.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.916 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.683 HD21 HG22 ' A' ' 55' ' ' VAL . 18.9 mt -40.7 -43.59 1.99 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.917 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 18.4 mt -76.37 -44.72 35.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.542 ' HD2' ' CE2' ' A' ' 26' ' ' TYR . 2.8 tmtm? -54.24 -39.41 66.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.582 ' CE1' ' HB3' ' A' ' 38' ' ' LYS . 55.3 m-85 -104.07 94.84 7.08 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.624 0.726 . . . . 0.0 110.873 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 164.44 34.55 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.681 2.254 . . . . 0.0 112.371 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 140.1 41.82 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.619 2.213 . . . . 0.0 112.35 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -133.64 173.31 11.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.662 ' HG3' HG23 ' A' ' 31' ' ' VAL . 6.4 pt-20 -42.77 -49.36 5.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.662 HG23 ' HG3' ' A' ' 30' ' ' GLU . 98.9 t -101.46 107.8 22.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.161 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.497 ' HG2' ' CE2' ' A' ' 36' ' ' TRP . 14.0 tt0 -63.51 -34.52 77.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.3 t -51.23 -60.1 3.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.4 ' H ' HG12 ' A' ' 31' ' ' VAL . 32.9 mtp180 -49.34 -52.4 28.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.864 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 55.5 ttt180 -41.27 -45.35 2.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.522 ' CZ3' HG21 ' A' ' 55' ' ' VAL . 13.7 m95 -69.73 -46.89 64.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.48 ' HA ' ' HB2' ' A' ' 48' ' ' ALA . 19.1 tp60 -52.96 -43.77 66.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.878 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.582 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 42.7 mttm -62.52 -45.99 90.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 59.8 mt -62.1 -42.13 93.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.161 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.573 ' HA ' HD12 ' A' ' 43' ' ' LEU . . . -54.7 -58.9 5.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.164 179.769 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 40' ' ' ALA . 10.1 t0 -34.72 -57.17 0.54 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.837 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -49.66 -56.3 10.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.684 HD22 ' OE2' ' A' ' 15' ' ' GLU . 16.1 mt -51.02 -59.58 4.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.944 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.08 -56.17 0.54 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.489 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 21.4 p-10 -77.4 -53.82 7.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.854 0.359 . . . . 0.0 110.953 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.544 ' HB2' HD13 ' A' ' 43' ' ' LEU . 2.2 mmp_? -67.54 167.33 13.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.491 ' O ' ' N ' ' A' ' 49' ' ' LYS . 10.1 t -140.46 158.6 43.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.113 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.48 ' HB2' ' HA ' ' A' ' 37' ' ' GLN . . . -37.15 -28.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.075 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.491 ' N ' ' O ' ' A' ' 47' ' ' THR . 12.7 tptt -74.76 -71.0 0.37 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.425 ' CD ' ' N ' ' A' ' 50' ' ' GLN . 0.5 OUTLIER -51.08 -36.76 41.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 95.0 t -63.11 -50.43 79.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.123 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.94 -49.86 65.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.083 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 37.4 p -62.61 -28.37 69.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.416 ' O ' ' CD1' ' A' ' 58' ' ' TYR . 20.5 tp60 -76.72 -39.25 52.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.683 HG22 HD21 ' A' ' 23' ' ' LEU . 85.3 t -69.71 -46.18 75.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.483 ' HG3' ' N ' ' A' ' 57' ' ' LYS . 2.6 pt20 -55.14 -37.18 66.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.483 ' N ' ' HG3' ' A' ' 56' ' ' GLN . 58.4 mttt -89.73 19.56 4.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.416 ' CD1' ' O ' ' A' ' 54' ' ' GLN . 2.8 m-30 -116.78 -47.32 2.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.404 ' N ' ' CD1' ' A' ' 59' ' ' PHE . 2.2 m-85 -91.89 -31.7 15.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.886 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 10.6 mt . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.144 179.926 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 6.7 m95 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.866 0.365 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.495 ' CG2' ' OE2' ' A' ' 15' ' ' GLU . 7.4 t -107.63 142.42 37.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.428 ' C ' ' O ' ' A' ' 12' ' ' THR . 73.1 t -34.21 -52.73 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.163 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -45.51 -60.99 1.87 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.495 ' OE2' ' CG2' ' A' ' 12' ' ' THR . 0.0 OUTLIER -61.6 -50.37 72.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 -179.894 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 15' ' ' GLU . 19.6 mt-30 -36.33 -67.62 0.16 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -66.45 -53.4 35.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 32.1 tttp -39.4 -36.9 0.4 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.6 tp -74.0 -58.94 2.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.953 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.492 ' HA ' HD12 ' A' ' 23' ' ' LEU . 19.5 mt-10 -42.83 -42.96 3.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.836 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -68.45 -47.61 66.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.437 HD13 HG23 ' A' ' 39' ' ' ILE . 49.2 mt -56.55 -43.26 79.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.492 HD12 ' HA ' ' A' ' 20' ' ' GLU . 11.2 mt -48.36 -52.28 22.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.956 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 33.5 mt -62.86 -42.73 97.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.14 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 52.6 tttt -53.68 -56.59 16.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.556 ' CE1' ' HB3' ' A' ' 38' ' ' LYS . 71.5 m-85 -79.89 122.04 82.86 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.673 0.749 . . . . 0.0 110.921 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 160.32 50.14 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.641 2.227 . . . . 0.0 112.317 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 143.06 49.68 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.719 2.279 . . . . 0.0 112.353 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.473 ' OE1' ' N ' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -128.18 -174.27 3.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.9 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -85.2 -33.47 22.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.493 ' O ' ' N ' ' A' ' 33' ' ' SER . 97.4 t -109.47 87.79 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.166 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.523 ' HB2' ' CE2' ' A' ' 36' ' ' TRP . 23.0 pm0 -36.39 -29.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 31' ' ' VAL . 1.1 t -50.47 -70.65 0.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.829 -179.77 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -48.24 -32.38 7.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.853 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 21.6 ttt180 -65.07 -40.71 95.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.774 ' CZ3' HG21 ' A' ' 55' ' ' VAL . 9.7 m95 -74.03 -41.55 61.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 43.9 tp60 -54.89 -51.85 64.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.556 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 32.8 mttm -53.72 -52.77 59.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.87 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.437 HG23 HD13 ' A' ' 22' ' ' LEU . 24.5 mt -58.25 -44.06 87.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.16 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -53.83 -53.3 54.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.102 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -42.45 -53.28 4.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -50.75 -46.36 59.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.618 HD13 ' HB2' ' A' ' 46' ' ' ARG . 19.7 mt -64.19 -42.04 96.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.951 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 81.37 -42.49 2.77 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.502 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -86.34 -45.13 11.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.807 0.337 . . . . 0.0 110.926 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.618 ' HB2' HD13 ' A' ' 43' ' ' LEU . 63.8 mmt-85 -77.89 164.71 24.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.416 ' O ' ' C ' ' A' ' 48' ' ' ALA . 24.9 p -129.16 160.44 32.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 47' ' ' THR . . . -35.74 -56.25 0.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.051 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.49 ' O ' ' N ' ' A' ' 52' ' ' ALA . 8.2 mmmt -54.66 -70.1 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.93 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 49' ' ' LYS . 80.2 mm-40 -38.16 -36.63 0.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.665 ' O ' HG23 ' A' ' 55' ' ' VAL . 85.0 t -75.17 -39.93 43.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.077 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.49 ' N ' ' O ' ' A' ' 49' ' ' LYS . . . -58.78 -53.04 62.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.102 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 21.7 m -57.35 -41.15 79.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.847 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 8.6 tp60 -63.05 -49.9 72.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.774 HG21 ' CZ3' ' A' ' 36' ' ' TRP . 85.7 t -53.3 -34.93 23.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.159 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -56.76 -53.68 55.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.8 mttm -75.0 5.17 5.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -101.39 -33.16 10.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -111.12 -40.97 4.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 49.7 mt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.161 179.971 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.516 ' CH2' ' HG3' ' A' ' 46' ' ' ARG . 12.0 m95 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.907 0.384 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.1 p -88.32 176.37 7.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.126 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.519 HG13 ' N ' ' A' ' 14' ' ' GLU . 7.4 p -63.29 -48.05 89.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.144 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.519 ' N ' HG13 ' A' ' 13' ' ' VAL . 70.6 mt-10 -61.64 -53.38 56.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.894 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.63 -51.51 69.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.872 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -44.07 -69.08 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.425 ' HG3' ' N ' ' A' ' 18' ' ' LYS . 3.7 pttm -52.34 -32.38 37.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.425 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 32.1 tttt -63.78 -43.74 95.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.402 ' HB2' ' CZ3' ' A' ' 11' ' ' TRP . 18.9 tp -58.99 -53.25 60.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.937 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -49.41 -51.25 36.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -59.02 -41.98 89.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.923 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.642 HD13 HG23 ' A' ' 39' ' ' ILE . 21.5 mt -63.03 -50.7 69.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.963 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.493 HD13 ' HE1' ' A' ' 59' ' ' PHE . 29.3 mt -50.28 -47.97 55.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.914 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 20.5 mt -65.47 -42.63 93.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.129 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.8 tttp -58.82 -58.34 9.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -78.19 117.08 63.9 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.668 0.747 . . . . 0.0 110.879 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 150.83 68.61 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.648 2.232 . . . . 0.0 112.347 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 118.11 5.49 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.681 2.254 . . . . 0.0 112.285 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 30' ' ' GLU . 11.8 pt-20 -99.04 165.76 11.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.669 ' HG3' HG23 ' A' ' 31' ' ' VAL . 11.7 pt-20 -37.49 -50.58 1.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.669 HG23 ' HG3' ' A' ' 30' ' ' GLU . 86.9 t -88.46 150.7 3.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.427 ' HG2' ' CZ2' ' A' ' 36' ' ' TRP . 34.9 tt0 -94.66 -35.61 12.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 89.4 p -61.71 -50.92 70.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 74.5 mtt180 -52.75 -48.89 66.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.873 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -45.19 -43.35 10.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.827 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.427 ' CZ2' ' HG2' ' A' ' 32' ' ' GLU . 6.4 m95 -69.9 -36.2 75.22 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.948 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -58.3 -49.33 77.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 36.6 mttm -59.22 -44.9 92.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.845 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.642 HG23 HD13 ' A' ' 22' ' ' LEU . 29.6 mt -61.67 -55.58 23.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.12 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.427 ' O ' ' C ' ' A' ' 41' ' ' ASP . . . -45.67 -52.0 11.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.11 179.8 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 40' ' ' ALA . 13.8 t0 -36.02 -56.07 0.74 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -53.9 -56.62 16.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.453 HD13 ' HB2' ' A' ' 46' ' ' ARG . 20.6 mt -51.35 -54.81 22.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 90.21 -45.2 2.97 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.483 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -78.8 -45.66 20.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.839 0.352 . . . . 0.0 110.869 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.516 ' HG3' ' CH2' ' A' ' 11' ' ' TRP . 51.2 mmt-85 -81.06 171.83 14.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.582 ' O ' HG23 ' A' ' 51' ' ' VAL . 42.0 p -138.71 158.24 44.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.152 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' A' ' 47' ' ' THR . . . -34.21 -53.55 0.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.071 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.408 ' O ' ' N ' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -58.28 -70.23 0.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.899 179.94 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -42.08 -31.89 0.41 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.979 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.715 ' O ' HG23 ' A' ' 55' ' ' VAL . 93.1 t -75.4 -40.05 41.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.126 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 49' ' ' LYS . . . -57.12 -49.0 77.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.085 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.1 t -55.3 -46.62 76.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.527 ' HG3' ' CE1' ' A' ' 58' ' ' TYR . 7.7 tp60 -61.64 -46.84 88.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.894 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.715 HG23 ' O ' ' A' ' 51' ' ' VAL . 96.7 t -51.22 -41.06 23.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.111 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -55.01 -48.29 73.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.0 mttp -84.39 27.46 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.917 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.527 ' CE1' ' HG3' ' A' ' 54' ' ' GLN . 4.2 m-85 -127.68 -31.85 2.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.493 ' HE1' HD13 ' A' ' 23' ' ' LEU . 2.3 m-85 -113.57 -43.12 3.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 75.9 mt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.135 179.995 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.532 ' CZ2' ' HG2' ' A' ' 54' ' ' GLN . 8.2 m95 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.873 0.368 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 13' ' ' VAL . 10.0 t -96.2 141.86 29.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.152 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.445 ' C ' ' O ' ' A' ' 12' ' ' THR . 90.5 t -33.73 -72.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.106 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.457 ' HA ' ' CE ' ' A' ' 17' ' ' LYS . 19.5 pt-20 -34.03 -45.02 0.19 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.432 ' H ' HG23 ' A' ' 12' ' ' THR . 0.1 OUTLIER -70.64 -49.63 45.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.93 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -42.82 -56.28 3.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.87 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.457 ' CE ' ' HA ' ' A' ' 14' ' ' GLU . 29.5 pttt -70.95 -46.76 61.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.456 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 33.1 tttp -46.3 -44.04 16.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.426 HD22 ' CH2' ' A' ' 11' ' ' TRP . 13.7 tp -63.92 -49.18 73.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -50.93 -43.42 60.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -66.67 -57.91 6.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 23' ' ' LEU . 10.1 mt -46.23 -52.55 12.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.52 HD21 HG22 ' A' ' 55' ' ' VAL . 28.8 mt -37.36 -46.0 0.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 26.3 mt -79.65 -39.58 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.164 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.9 tttm -50.56 -53.96 26.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.501 ' CE1' ' HB3' ' A' ' 38' ' ' LYS . 79.4 m-85 -86.4 122.11 72.18 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.692 0.758 . . . . 0.0 110.915 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 168.24 22.08 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.688 2.258 . . . . 0.0 112.343 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 164.52 34.2 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.669 2.246 . . . . 0.0 112.374 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.464 ' OE1' ' C ' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -146.43 -174.98 4.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -82.54 -32.52 28.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.464 ' C ' ' OE1' ' A' ' 29' ' ' GLU . 39.1 t -108.36 92.17 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.126 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.519 ' HG2' ' CZ2' ' A' ' 36' ' ' TRP . 19.0 tt0 -40.88 -27.48 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 31' ' ' VAL . 2.6 m -65.74 -67.77 0.42 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -42.97 -32.55 0.66 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.415 ' HB2' ' CG ' ' A' ' 29' ' ' GLU . 50.1 ttt180 -59.04 -57.7 11.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.841 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.549 ' CZ3' HG21 ' A' ' 55' ' ' VAL . 10.8 m95 -53.69 -32.78 53.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.449 ' HG2' ' HB2' ' A' ' 48' ' ' ALA . 2.6 mm100 -61.96 -49.63 75.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.925 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.501 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 45.9 mttt -56.03 -41.32 74.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 22.7 mt -70.13 -55.33 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.46 -50.1 32.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.077 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -43.38 -49.52 6.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -58.19 -45.92 86.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.516 HD13 ' HB2' ' A' ' 46' ' ' ARG . 9.9 mt -60.24 -46.31 90.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 80.98 -38.8 2.39 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.484 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -85.62 -38.29 18.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.837 0.351 . . . . 0.0 110.896 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.516 ' HB2' HD13 ' A' ' 43' ' ' LEU . 15.9 mmt-85 -89.01 176.02 7.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.834 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.44 ' OG1' ' NE2' ' A' ' 50' ' ' GLN . 57.9 p -137.81 160.65 38.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.449 ' HB2' ' HG2' ' A' ' 37' ' ' GLN . . . -43.36 -36.46 1.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.116 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -72.24 -66.18 0.68 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.478 ' OE1' ' N ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -42.22 -38.12 1.67 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.456 ' O ' HG23 ' A' ' 55' ' ' VAL . 93.7 t -72.41 -39.37 62.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.109 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.4 -45.16 69.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.064 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 71.4 m -74.7 -29.72 61.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.532 ' HG2' ' CZ2' ' A' ' 11' ' ' TRP . 7.9 tp60 -71.44 -37.08 71.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.927 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.549 HG21 ' CZ3' ' A' ' 36' ' ' TRP . 78.8 t -69.56 -50.27 52.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.081 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.692 ' HB2' HD12 ' A' ' 60' ' ' ILE . 6.1 pt20 -54.15 -34.12 59.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.461 ' N ' ' HG3' ' A' ' 56' ' ' GLN . 48.7 mttp -89.62 15.85 8.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.404 ' CD1' ' O ' ' A' ' 54' ' ' GLN . 2.7 m-85 -118.85 -25.78 6.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.931 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.423 ' CD1' ' N ' ' A' ' 59' ' ' PHE . 2.1 m-85 -116.98 -40.59 3.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.885 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.692 HD12 ' HB2' ' A' ' 56' ' ' GLN . 11.2 mt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.119 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.532 ' CH2' ' HG3' ' A' ' 46' ' ' ARG . 11.5 m95 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.859 0.361 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.826 HG22 ' OE1' ' A' ' 15' ' ' GLU . 8.9 t -83.49 140.69 32.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.133 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.448 ' C ' ' O ' ' A' ' 12' ' ' THR . 95.1 t -33.99 -48.85 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.427 ' HA ' ' HZ2' ' A' ' 17' ' ' LYS . 48.8 mm-40 -54.71 -52.48 62.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.826 ' OE1' HG22 ' A' ' 12' ' ' THR . 64.5 mt-10 -64.85 -50.62 65.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -42.95 -69.33 0.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.914 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.467 ' HG3' ' N ' ' A' ' 18' ' ' LYS . 16.4 pttp -57.41 -45.45 84.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.467 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 15.6 tttp -46.4 -62.11 1.5 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.3 tp -45.81 -55.97 5.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -38.82 -44.73 1.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 44.2 mm-40 -69.45 -51.5 35.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.463 HD13 HG23 ' A' ' 39' ' ' ILE . 78.5 mt -51.38 -44.8 62.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.932 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.0 mt -49.17 -46.4 45.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.942 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 32.2 mt -64.33 -47.0 91.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.121 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.6 tttp -59.43 -40.49 86.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.569 ' CE1' ' HB3' ' A' ' 38' ' ' LYS . 52.9 m-85 -104.93 92.18 5.03 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.613 0.721 . . . . 0.0 110.924 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 167.35 24.73 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.666 2.244 . . . . 0.0 112.321 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 145.68 57.9 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.678 2.252 . . . . 0.0 112.316 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -137.09 -175.72 4.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.5 ' HG3' HG23 ' A' ' 31' ' ' VAL . 8.2 pt-20 -53.78 -42.54 68.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.847 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.5 HG23 ' HG3' ' A' ' 30' ' ' GLU . 43.2 t -108.9 107.39 22.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.091 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -64.2 -34.87 79.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 58.3 m -51.92 -57.65 8.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.893 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 29.4 mtt-85 -52.48 -51.56 58.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.918 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 45.3 ttt180 -40.84 -55.49 2.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.847 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.559 ' CZ3' HG21 ' A' ' 55' ' ' VAL . 8.0 m95 -55.48 -50.16 70.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 11.1 tp60 -47.13 -44.67 21.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.928 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.569 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 54.5 mttm -60.21 -48.86 79.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.463 HG23 HD13 ' A' ' 22' ' ' LEU . 42.2 mt -60.89 -50.22 81.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.16 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 41' ' ' ASP . . . -50.77 -58.2 6.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 179.778 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 40' ' ' ALA . 13.4 t0 -35.34 -51.78 0.6 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -57.75 -54.01 51.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.3 mt -54.65 -49.86 69.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.909 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 82.77 -51.29 4.53 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.476 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -68.65 -42.63 77.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.818 0.342 . . . . 0.0 110.855 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.532 ' HG3' ' CH2' ' A' ' 11' ' ' TRP . 79.4 mmt-85 -89.8 172.25 9.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.449 ' O ' ' C ' ' A' ' 48' ' ' ALA . 32.0 p -130.23 156.73 44.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.144 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 47' ' ' THR . . . -34.08 -57.81 0.47 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.069 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.401 ' HD3' ' C ' ' A' ' 49' ' ' LYS . 0.3 OUTLIER -50.78 -66.49 0.38 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.876 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -40.54 -50.53 2.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.771 ' O ' HG23 ' A' ' 55' ' ' VAL . 80.3 t -54.22 -45.42 67.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.155 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.04 -48.24 73.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.071 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.2 m -57.92 -42.2 84.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.828 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -68.08 -40.74 82.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.771 HG23 ' O ' ' A' ' 51' ' ' VAL . 96.2 t -54.13 -37.62 35.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.113 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -58.15 -46.23 86.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -81.49 16.08 1.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 2.8 m-30 -116.0 -26.24 7.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.97 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -117.95 -26.62 6.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.913 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 36.1 mt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.084 -179.994 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.561 ' CZ2' ' HD2' ' A' ' 46' ' ' ARG . 14.2 m95 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.832 0.348 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.465 ' O ' ' C ' ' A' ' 13' ' ' VAL . 3.3 t -110.37 142.61 41.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.115 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.465 ' C ' ' O ' ' A' ' 12' ' ' THR . 69.9 t -32.87 -58.03 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.124 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -40.38 -66.64 0.3 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -58.25 -48.8 79.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -40.08 -68.47 0.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.5 -39.32 94.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.941 ' HD2' HD23 ' A' ' 43' ' ' LEU . 6.0 tmtm? -58.49 -27.27 64.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.877 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 20.4 tp -82.93 -51.66 7.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -40.9 -42.51 1.86 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -66.85 -54.0 26.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.471 HD12 ' HD3' ' A' ' 18' ' ' LYS . 10.3 mt -54.15 -48.71 70.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.738 HD21 HG22 ' A' ' 55' ' ' VAL . 7.4 mt -39.94 -47.79 2.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 18.2 mt -69.8 -46.97 72.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.14 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.58 ' HD2' ' CE2' ' A' ' 26' ' ' TYR . 1.8 tmtm? -50.92 -50.54 57.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.58 ' CE2' ' HD2' ' A' ' 25' ' ' LYS . 59.9 m-85 -92.42 106.96 20.29 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.72 0.771 . . . . 0.0 110.924 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 160.39 49.88 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.68 2.253 . . . . 0.0 112.344 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 152.3 69.35 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.705 2.27 . . . . 0.0 112.37 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.449 ' O ' ' C ' ' A' ' 30' ' ' GLU . 14.9 pt-20 -144.55 155.36 43.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 29' ' ' GLU . 1.7 tm-20 -34.43 -50.27 0.42 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.908 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.4 HG12 ' HB3' ' A' ' 33' ' ' SER . 45.7 t -100.58 94.41 3.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.122 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.494 ' HB2' ' CE2' ' A' ' 36' ' ' TRP . 6.2 pt-20 -50.27 -37.3 35.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.4 ' HB3' HG12 ' A' ' 31' ' ' VAL . 33.5 t -44.4 -54.11 6.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.853 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 51.6 mtt-85 -52.78 -45.09 67.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.834 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.499 HH21 HD23 ' A' ' 23' ' ' LEU . 61.2 ttt180 -55.95 -60.67 3.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.826 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.978 ' CZ3' HG21 ' A' ' 55' ' ' VAL . 5.5 m95 -50.61 -37.45 40.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.938 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 55.3 tp60 -61.47 -45.04 95.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.535 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 65.1 mttt -60.1 -47.52 85.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.434 HG23 HD13 ' A' ' 22' ' ' LEU . 25.2 mt -65.28 -52.42 52.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.172 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -43.04 -43.72 4.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.096 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -53.75 -50.65 65.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -60.91 -48.79 80.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.941 HD23 ' HD2' ' A' ' 18' ' ' LYS . 10.3 mt -55.9 -45.37 78.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 77.47 -50.13 3.14 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.507 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 54.3 m-20 -73.5 -46.17 49.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.829 0.347 . . . . 0.0 110.868 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.561 ' HD2' ' CZ2' ' A' ' 11' ' ' TRP . 8.4 mmt180 -90.66 151.11 21.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.493 HG22 ' HG2' ' A' ' 50' ' ' GLN . 1.6 t -107.23 163.61 12.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.127 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -37.69 -49.65 1.15 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.045 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -53.84 -69.46 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.917 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.493 ' HG2' HG22 ' A' ' 47' ' ' THR . 5.9 mm100 -40.42 -40.08 1.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.809 ' O ' HG23 ' A' ' 55' ' ' VAL . 93.1 t -67.94 -39.65 82.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.152 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 49' ' ' LYS . . . -58.56 -57.67 11.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.059 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 47.7 m -61.78 -38.21 87.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.493 ' CD ' ' CE1' ' A' ' 58' ' ' TYR . 4.0 tp-100 -61.76 -47.48 84.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.915 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.978 HG21 ' CZ3' ' A' ' 36' ' ' TRP . 98.5 t -57.08 -35.89 49.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.158 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -58.34 -51.24 70.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 46.2 mtpt -78.63 10.17 3.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.493 ' CE1' ' CD ' ' A' ' 54' ' ' GLN . 2.7 m-85 -105.16 -32.48 8.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.409 ' CD1' ' N ' ' A' ' 59' ' ' PHE . 2.3 m-85 -110.5 -38.78 5.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.869 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 61.3 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.131 179.946 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.534 ' NE1' ' NH1' ' A' ' 46' ' ' ARG . 31.1 m95 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.832 0.349 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.435 ' O ' ' N ' ' A' ' 15' ' ' GLU . 9.5 t -111.92 145.18 40.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.117 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.417 ' C ' ' O ' ' A' ' 12' ' ' THR . 14.5 p -36.65 -37.1 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.11 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -57.43 -46.56 83.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.922 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.446 ' HB3' ' CZ3' ' A' ' 11' ' ' TRP . 10.2 mm-40 -80.61 -38.37 29.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -53.6 -44.69 69.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.6 ptmt -78.45 -47.42 17.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 51.5 tttt -53.65 -58.65 6.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 22.1 tp -46.95 -53.83 11.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -41.2 -44.45 2.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.89 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 65.6 mm-40 -66.96 -43.63 82.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 23' ' ' LEU . 9.9 mt -63.02 -55.36 26.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.488 HD21 HG22 ' A' ' 55' ' ' VAL . 11.2 mt -38.31 -47.34 1.2 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 47.0 mt -71.12 -49.87 45.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.166 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.54 ' HD3' ' CE2' ' A' ' 26' ' ' TYR . 26.5 tttp -49.62 -43.62 46.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.54 ' CE2' ' HD3' ' A' ' 25' ' ' LYS . 72.4 m-85 -100.11 100.57 11.9 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.678 0.752 . . . . 0.0 110.91 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 167.05 25.53 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.709 2.273 . . . . 0.0 112.336 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 124.96 11.57 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.67 2.247 . . . . 0.0 112.342 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.451 ' O ' ' C ' ' A' ' 30' ' ' GLU . 6.5 pt-20 -119.97 159.51 24.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.681 ' HG3' HG23 ' A' ' 31' ' ' VAL . 13.2 pt-20 -34.33 -50.26 0.41 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.896 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.681 HG23 ' HG3' ' A' ' 30' ' ' GLU . 85.2 t -92.63 135.28 28.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.12 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.52 ' HG2' ' CE2' ' A' ' 36' ' ' TRP . 7.9 tt0 -92.81 -32.2 14.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.0 t -57.96 -63.59 1.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.473 ' HG3' ' N ' ' A' ' 35' ' ' ARG . 14.1 ptp180 -49.3 -39.98 33.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.473 ' N ' ' HG3' ' A' ' 34' ' ' ARG . 63.9 ttt180 -54.51 -42.46 70.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.776 ' CZ3' HG21 ' A' ' 55' ' ' VAL . 13.8 m95 -74.61 -35.81 62.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.482 ' HA ' ' HB2' ' A' ' 48' ' ' ALA . 3.9 tp-100 -57.94 -38.02 75.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.928 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 40.6 mttt -69.31 -61.45 1.78 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 53.3 mt -45.77 -47.88 4.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.115 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.516 ' HB1' ' HA ' ' A' ' 47' ' ' THR . . . -63.43 -69.18 0.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.161 179.803 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -44.13 -28.03 0.45 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -71.36 -41.54 69.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.493 HD13 ' HB2' ' A' ' 46' ' ' ARG . 10.5 mt -62.58 -57.25 11.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 116.96 -29.26 6.91 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.5 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -108.65 -56.67 2.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.819 0.342 . . . . 0.0 110.875 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.534 ' NH1' ' NE1' ' A' ' 11' ' ' TRP . 7.8 mmt180 -60.57 170.67 1.33 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.516 ' HA ' ' HB1' ' A' ' 40' ' ' ALA . 7.1 p -134.47 156.06 49.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.125 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.482 ' HB2' ' HA ' ' A' ' 37' ' ' GLN . . . -36.19 -42.53 0.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 179.791 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 50' ' ' GLN . 3.3 tmtm? -64.12 -69.92 0.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.943 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 49' ' ' LYS . 35.1 mm-40 -36.96 -44.27 0.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.907 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.708 ' O ' HG23 ' A' ' 55' ' ' VAL . 98.8 t -59.52 -53.68 44.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -47.51 -62.15 1.58 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.142 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 86.9 p -47.41 -52.69 16.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.837 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 57' ' ' LYS . 3.8 tp-100 -54.48 -56.33 19.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.929 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.776 HG21 ' CZ3' ' A' ' 36' ' ' TRP . 96.8 t -36.74 -53.32 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.111 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.43 ' HB3' HD12 ' A' ' 60' ' ' ILE . 94.4 mt-30 -57.47 -40.33 78.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 54' ' ' GLN . 14.5 mmtt -77.15 8.73 3.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.424 ' CE1' ' CD ' ' A' ' 54' ' ' GLN . 3.5 m-30 -115.32 -48.52 2.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.445 ' HE1' HD13 ' A' ' 23' ' ' LEU . 2.3 m-85 -91.62 -50.95 5.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.897 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.43 HD12 ' HB3' ' A' ' 56' ' ' GLN . 12.6 mt . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.143 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.482 ' CD1' ' NE2' ' A' ' 54' ' ' GLN . 49.3 m95 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.873 0.368 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.449 ' O ' ' C ' ' A' ' 13' ' ' VAL . 10.8 t -98.68 148.48 23.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.179 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.449 ' C ' ' O ' ' A' ' 12' ' ' THR . 74.5 t -33.93 -55.19 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.162 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -46.11 -57.83 4.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.917 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.467 ' N ' ' OE1' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -61.81 -53.24 58.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.925 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -37.25 -69.48 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 30.6 pttt -58.11 -45.19 87.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.943 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 31.3 tttt -47.58 -40.6 19.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 22' ' ' LEU . 13.9 tp -69.69 -61.45 1.78 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.948 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 19' ' ' LEU . 15.1 mt-10 -34.67 -39.17 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 -74.97 -44.7 46.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.936 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' ' 19' ' ' LEU . 13.6 mt -59.37 -39.03 81.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.944 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 44.0 mt -49.77 -49.61 47.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 47.7 mt -64.76 -47.12 89.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.089 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.5 ttmt -56.19 -42.66 77.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.531 ' CE1' ' HB3' ' A' ' 38' ' ' LYS . 52.7 m-85 -104.82 92.47 5.19 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.638 0.733 . . . . 0.0 110.933 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 166.18 28.46 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.651 2.234 . . . . 0.0 112.319 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 152.64 69.23 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.632 2.221 . . . . 0.0 112.381 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 30' ' ' GLU . 2.6 pt-20 -146.89 172.91 12.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 29' ' ' GLU . 9.7 tt0 -37.95 -46.53 0.99 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 94.3 t -115.86 115.41 49.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.102 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.423 ' O ' ' CD1' ' A' ' 36' ' ' TRP . 18.4 pm0 -73.72 -25.24 60.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.2 m -53.33 -54.98 28.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -61.95 -37.9 86.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.873 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 40.2 ttt180 -54.44 -50.09 68.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.612 ' CZ3' HG21 ' A' ' 55' ' ' VAL . 12.8 m95 -60.96 -37.34 82.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.957 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -58.34 -42.72 87.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.531 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 31.0 mttm -62.64 -44.75 95.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.474 HG23 HD13 ' A' ' 22' ' ' LEU . 23.9 mt -65.04 -50.9 72.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.116 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.629 ' HB1' ' O ' ' A' ' 46' ' ' ARG . . . -51.68 -56.71 12.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.148 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -47.45 -35.74 8.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.913 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -71.88 -48.47 45.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.404 HD13 ' CB ' ' A' ' 46' ' ' ARG . 3.7 mt -49.29 -38.28 26.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 121.7 -70.84 0.4 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.487 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -103.39 -40.75 6.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.814 0.34 . . . . 0.0 110.866 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.629 ' O ' ' HB1' ' A' ' 40' ' ' ALA . 9.9 mmt-85 -46.97 142.63 3.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.5 ' HA ' ' HB1' ' A' ' 40' ' ' ALA . 1.8 t -112.56 163.59 14.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.146 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -42.36 -38.11 1.75 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.104 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -60.91 -71.28 0.14 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.496 ' CB ' ' CD ' ' A' ' 46' ' ' ARG . 6.4 mm100 -36.89 -46.33 0.62 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.928 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.876 ' O ' HG23 ' A' ' 55' ' ' VAL . 96.7 t -66.03 -41.94 90.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 49' ' ' LYS . . . -58.22 -56.01 27.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.059 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 74.8 m -58.07 -46.74 84.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.482 ' NE2' ' CD1' ' A' ' 11' ' ' TRP . 5.9 tp60 -55.62 -50.73 69.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.876 HG23 ' O ' ' A' ' 51' ' ' VAL . 86.6 t -50.2 -30.75 7.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.112 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -63.97 -54.35 35.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.904 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.4 ptpt -72.03 0.57 9.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 4.1 m-30 -102.28 -34.75 9.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -110.61 -61.46 1.67 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 53.1 mt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.149 179.958 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.569 ' CE3' ' HB3' ' A' ' 15' ' ' GLU . 19.7 m95 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.87 0.367 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.511 HG22 ' CD ' ' A' ' 15' ' ' GLU . 11.8 t -95.37 169.76 9.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.171 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.47 HG13 ' N ' ' A' ' 14' ' ' GLU . 7.0 p -51.56 -45.33 35.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.149 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.47 ' N ' HG13 ' A' ' 13' ' ' VAL . 16.0 mm-40 -55.09 -63.35 1.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.569 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 1.1 mp0 -53.77 -48.89 69.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -38.71 -67.31 0.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.66 -33.07 72.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.753 ' HG2' HD23 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -61.77 -31.61 71.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.876 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.2 tp -89.14 -43.7 10.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -55.29 -42.51 73.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -67.07 -50.31 62.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 47.2 mt -58.65 -43.41 89.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 46.0 mt -47.99 -42.37 27.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 23.5 mt -65.85 -52.3 51.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.099 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.4 tttp -55.57 -37.91 68.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.574 ' CE1' ' HB3' ' A' ' 38' ' ' LYS . 51.8 m-85 -104.51 93.15 5.56 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.714 0.769 . . . . 0.0 110.931 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 26' ' ' TYR . 54.1 Cg_endo -69.67 163.03 39.73 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.7 2.267 . . . . 0.0 112.364 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 125.19 11.86 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.685 2.256 . . . . 0.0 112.345 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.402 ' OE2' ' O ' ' A' ' 27' ' ' PRO . 2.1 pm0 -113.36 -174.86 2.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -48.61 -49.73 35.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.878 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.577 HG11 ' HD2' ' A' ' 34' ' ' ARG . 18.6 t -109.07 151.46 11.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.162 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.594 ' O ' ' CD1' ' A' ' 36' ' ' TRP . 12.5 pt-20 -99.84 -30.52 11.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 40.9 t -48.84 -66.8 0.34 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.839 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.577 ' HD2' HG11 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -55.44 -42.33 74.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 55.6 ttt180 -52.9 -37.69 60.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.841 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.594 ' CD1' ' O ' ' A' ' 32' ' ' GLU . 15.2 m95 -72.7 -27.15 61.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -67.27 -42.49 83.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.893 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.574 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 37.0 mttp -63.07 -54.87 31.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 40.1 mt -57.59 -48.64 82.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.146 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.745 ' HA ' HD12 ' A' ' 43' ' ' LEU . . . -53.1 -57.38 10.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.094 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -39.16 -49.07 1.81 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -57.82 -56.63 19.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.791 HD13 ' HB2' ' A' ' 46' ' ' ARG . 13.8 mt -42.53 -50.91 5.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 93.35 -34.29 4.67 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.466 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -99.63 -59.74 1.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.821 0.343 . . . . 0.0 110.884 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.791 ' HB2' HD13 ' A' ' 43' ' ' LEU . 67.4 mmt-85 -64.84 167.29 7.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.644 ' O ' HG23 ' A' ' 51' ' ' VAL . 13.0 t -127.57 165.15 20.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.121 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -43.14 -41.37 3.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -69.14 -70.37 0.28 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.554 ' NE2' ' CG2' ' A' ' 47' ' ' THR . 0.2 OUTLIER -40.52 -34.05 0.32 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.644 HG23 ' O ' ' A' ' 47' ' ' THR . 90.4 t -73.15 -40.57 58.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 49' ' ' LYS . . . -58.1 -47.05 84.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 11.5 m -61.48 -49.69 75.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.885 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 14.9 tp60 -51.0 -47.74 61.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.95 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.562 HG21 ' CZ3' ' A' ' 36' ' ' TRP . 76.5 t -53.52 -41.02 43.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.129 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -52.16 -51.14 59.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 45.2 mttt -83.81 21.74 1.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -121.18 -37.55 2.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.936 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.409 ' CD1' ' N ' ' A' ' 59' ' ' PHE . 2.2 m-85 -106.05 -51.6 2.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.866 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 62.5 mt . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.153 179.968 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 t -38.57 -57.29 1.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.85 0.357 . . . . 0.0 110.888 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t 50.32 41.88 25.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.835 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.81 158.12 14.98 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.471 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -149.66 174.3 12.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.856 0.36 . . . . 0.0 110.899 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.0 m -88.13 177.13 6.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.47 136.35 2.29 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.479 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.431 ' OD1' ' C ' ' A' ' 8' ' ' ASN . 20.6 t-20 -68.38 -52.61 31.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.802 0.334 . . . . 0.0 110.835 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -131.9 40.82 3.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.94 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.5 mt -97.62 157.12 16.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.476 ' CH2' ' HG3' ' A' ' 46' ' ' ARG . 7.8 m95 -49.03 172.44 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.947 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 13' ' ' VAL . 6.2 t -120.25 142.15 49.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.132 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.499 HG13 ' N ' ' A' ' 14' ' ' GLU . 8.1 p -34.5 -46.28 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.183 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.499 ' N ' HG13 ' A' ' 13' ' ' VAL . 40.2 mt-10 -50.31 -54.47 21.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.453 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 66.3 mt-10 -71.17 -52.29 20.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 15' ' ' GLU . 77.2 mt-30 -36.4 -59.95 0.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.0 ptpt -59.75 -41.46 91.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.9 tttp -55.87 -59.45 4.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.584 HD23 ' CE2' ' A' ' 58' ' ' TYR . 37.1 tp -49.71 -59.03 4.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.526 ' HA ' HD12 ' A' ' 23' ' ' LEU . 11.5 mt-10 -36.87 -48.62 0.76 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -66.07 -59.16 4.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.952 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.631 HD13 HG23 ' A' ' 39' ' ' ILE . 69.8 mt -45.82 -38.07 6.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.526 HD12 ' HA ' ' A' ' 20' ' ' GLU . 59.1 mt -52.65 -46.43 67.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 75.1 mt -66.28 -48.77 79.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.157 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.1 tttt -59.65 -34.98 73.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.585 ' CE1' ' HB3' ' A' ' 38' ' ' LYS . 50.6 m-85 -104.61 93.11 5.6 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.66 0.743 . . . . 0.0 110.925 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 170.0 17.59 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.634 2.223 . . . . 0.0 112.361 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.444 ' HA ' ' OE2' ' A' ' 29' ' ' GLU . 54.1 Cg_endo -69.74 163.51 37.97 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.679 2.253 . . . . 0.0 112.381 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.454 ' N ' ' OE2' ' A' ' 29' ' ' GLU . 1.1 pm0 -157.54 178.51 10.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.932 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.639 ' HG3' HG23 ' A' ' 31' ' ' VAL . 11.1 pt-20 -55.24 -46.33 76.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.639 HG23 ' HG3' ' A' ' 30' ' ' GLU . 95.3 t -102.47 118.56 49.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.169 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.544 ' HG2' ' CZ2' ' A' ' 36' ' ' TRP . 10.8 tt0 -76.45 -27.42 56.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 25.2 m -62.87 -56.91 13.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.834 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.527 ' H ' HG12 ' A' ' 31' ' ' VAL . 6.7 ptm180 -54.26 -34.25 60.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.509 ' NE ' ' CZ3' ' A' ' 36' ' ' TRP . 39.3 ttt180 -58.97 -55.52 34.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.828 ' CZ3' HG21 ' A' ' 55' ' ' VAL . 11.1 m95 -58.52 -38.64 78.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.9 tp60 -54.98 -42.44 72.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.874 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.585 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 47.2 mtmt -62.77 -56.74 14.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.873 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.631 HG23 HD13 ' A' ' 22' ' ' LEU . 39.8 mt -54.2 -53.88 25.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.149 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.72 -48.05 40.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.062 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -49.26 -43.81 43.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.83 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -64.46 -48.52 74.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.683 HD13 ' HB2' ' A' ' 46' ' ' ARG . 28.7 mt -53.76 -46.3 70.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.949 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 85.2 -42.02 3.11 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.488 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -86.83 -50.12 6.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.864 0.364 . . . . 0.0 110.925 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.683 ' HB2' HD13 ' A' ' 43' ' ' LEU . 31.0 mmt-85 -75.29 167.41 21.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 48' ' ' ALA . 65.4 p -127.89 158.02 38.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.165 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 47' ' ' THR . . . -36.22 -55.98 0.77 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.053 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.8 mmtt -55.98 -66.13 0.48 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 40.0 mm-40 -41.11 -41.07 1.66 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.635 ' O ' HG23 ' A' ' 55' ' ' VAL . 98.4 t -70.39 -40.86 78.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.178 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.49 -54.74 42.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.081 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 75.6 m -56.12 -45.06 79.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.466 ' HG3' ' CE1' ' A' ' 58' ' ' TYR . 10.7 tp60 -55.63 -46.74 77.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.941 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.828 HG21 ' CZ3' ' A' ' 36' ' ' TRP . 97.6 t -53.26 -40.77 40.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.142 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.539 ' OE1' HD11 ' A' ' 60' ' ' ILE . 16.0 mm-40 -54.6 -50.27 68.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 29.0 mttm -83.23 20.45 1.28 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.584 ' CE2' HD23 ' A' ' 19' ' ' LEU . 2.7 m-85 -118.3 -37.4 3.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.405 ' HA ' HD12 ' A' ' 62' ' ' LEU . 2.2 m-85 -105.09 -43.06 5.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.851 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.539 HD11 ' OE1' ' A' ' 56' ' ' GLN . 57.1 mt -70.72 -32.78 50.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.9 ttmt -82.38 39.45 0.6 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' A' ' 59' ' ' PHE . 76.5 mt -132.16 -33.06 1.34 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.617 HG21 HD12 ' A' ' 67' ' ' ILE . 6.1 t -66.7 72.22 0.09 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.168 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 63' ' ' THR . 32.0 ttpt 34.4 36.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.918 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 63' ' ' THR . . . 41.73 48.72 3.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.107 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -95.33 -28.05 10.16 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.515 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.673 HG23 ' HD2' ' A' ' 68' ' ' PRO . 63.4 mt -84.28 138.65 39.07 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.66 0.743 . . . . 0.0 111.131 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.673 ' HD2' HG23 ' A' ' 67' ' ' ILE . 53.9 Cg_endo -69.74 119.81 6.7 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.73 2.287 . . . . 0.0 112.319 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 7.4 p -103.01 -31.11 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.133 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.7 t -145.87 165.71 28.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.846 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -141.3 -94.65 0.24 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.508 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 97.71 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.657 2.238 . . . . 0.0 112.314 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.7 t -143.56 175.67 9.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.855 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 9.2 t -160.46 177.53 10.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.498 -179.996 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.471 -0.251 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.8 m -110.02 123.67 50.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.877 0.37 . . . . 0.0 110.873 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.0 p -109.86 165.88 11.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.846 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.57 120.77 5.23 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.482 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.1 t -94.52 -60.85 1.62 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.86 0.362 . . . . 0.0 110.859 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 t -119.08 146.5 45.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.9 -48.08 22.54 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.516 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -48.33 148.34 1.95 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.751 0.31 . . . . 0.0 110.929 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.5 pp0? -41.39 145.28 0.27 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.5 mt -106.04 159.69 15.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.935 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.565 ' CH2' ' HG3' ' A' ' 46' ' ' ARG . 21.1 m95 -56.35 130.48 44.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.657 HG22 ' OE2' ' A' ' 15' ' ' GLU . 9.2 t -78.04 165.48 23.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.139 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.4 p -59.3 -37.6 70.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.115 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.425 ' HA ' ' CE ' ' A' ' 17' ' ' LYS . 46.0 mt-10 -63.54 -39.76 95.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.657 ' OE2' HG22 ' A' ' 12' ' ' THR . 22.2 mt-10 -75.73 -49.73 17.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -47.84 -48.72 30.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.425 ' CE ' ' HA ' ' A' ' 14' ' ' GLU . 3.9 pttp -67.77 -49.87 60.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.611 ' HE3' HD23 ' A' ' 43' ' ' LEU . 4.8 ttpp -54.3 -63.68 1.07 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.825 ' HA ' HD12 ' A' ' 22' ' ' LEU . 25.8 tp -35.76 -53.45 0.72 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.935 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 -46.85 -51.58 16.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -61.04 -42.37 98.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.825 HD12 ' HA ' ' A' ' 19' ' ' LEU . 10.6 mt -60.78 -57.17 13.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 22' ' ' LEU . 23.5 mt -34.43 -53.43 0.51 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 18.8 mt -66.07 -47.76 83.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.126 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.6 ttmt -46.09 -55.53 6.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -87.28 122.3 70.92 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.652 0.739 . . . . 0.0 110.939 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 151.37 68.95 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.682 2.254 . . . . 0.0 112.354 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 161.34 46.31 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.736 2.291 . . . . 0.0 112.308 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -162.87 158.77 22.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -46.17 -49.0 17.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.468 HG12 ' H ' ' A' ' 34' ' ' ARG . 56.3 t -88.93 105.04 15.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.13 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.517 ' HB2' ' CZ2' ' A' ' 36' ' ' TRP . 25.3 pm0 -79.66 -31.0 41.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.891 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.432 ' N ' ' HG2' ' A' ' 32' ' ' GLU . 12.4 p -51.99 -43.44 63.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 -179.777 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.468 ' H ' HG12 ' A' ' 31' ' ' VAL . 10.8 ptm180 -74.43 -33.78 63.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 50.0 ttt180 -62.2 -48.44 80.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.706 ' CZ3' HG21 ' A' ' 55' ' ' VAL . 9.3 m95 -59.74 -45.9 90.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 30.3 tp60 -47.33 -48.23 25.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.952 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 47.9 mttm -59.01 -49.96 75.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.63 HG23 HD13 ' A' ' 22' ' ' LEU . 49.7 mt -58.46 -53.59 44.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.163 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -46.11 -51.43 13.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.078 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -40.26 -51.28 2.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -59.46 -56.62 19.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.611 HD23 ' HE3' ' A' ' 18' ' ' LYS . 10.2 mt -49.2 -60.67 2.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 94.38 -37.76 3.32 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.474 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -83.58 -51.27 7.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.78 0.324 . . . . 0.0 110.888 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.565 ' HG3' ' CH2' ' A' ' 11' ' ' TRP . 14.0 mmp_? -84.63 158.99 20.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.652 ' O ' HG23 ' A' ' 51' ' ' VAL . 59.6 p -118.29 162.8 17.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 47' ' ' THR . . . -36.57 -59.1 0.69 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.126 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.402 ' O ' ' N ' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -54.46 -68.41 0.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -42.25 -34.03 0.71 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 47' ' ' THR . 97.0 t -71.99 -39.76 66.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.113 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 49' ' ' LYS . . . -54.69 -50.32 68.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 14.7 m -59.29 -42.5 91.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -58.76 -49.83 76.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.918 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.706 HG21 ' CZ3' ' A' ' 36' ' ' TRP . 94.6 t -50.96 -34.21 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.14 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.2 mm100 -61.5 -46.02 91.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -84.11 24.63 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -122.63 -35.63 3.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.954 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.401 ' CD1' ' N ' ' A' ' 59' ' ' PHE . 2.4 m-85 -108.63 -44.91 3.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.901 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.859 ' O ' HG22 ' A' ' 63' ' ' THR . 77.3 mt -70.38 -57.85 6.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.108 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 60' ' ' ILE . 18.2 ttpp -34.37 -35.22 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 60' ' ' ILE . 84.8 mt -45.72 -54.71 7.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.859 HG22 ' O ' ' A' ' 60' ' ' ILE . 6.0 t -57.71 -31.48 66.45 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.125 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.449 ' O ' ' CD1' ' A' ' 67' ' ' ILE . 27.9 mtmm -165.37 139.59 4.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -88.71 -42.95 11.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.083 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -78.87 51.23 3.77 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.501 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.651 HG23 ' HD2' ' A' ' 68' ' ' PRO . 81.8 mt -94.24 138.47 22.5 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.603 0.716 . . . . 0.0 111.109 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.651 ' HD2' HG23 ' A' ' 67' ' ' ILE . 53.9 Cg_endo -69.77 127.63 14.86 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.648 2.232 . . . . 0.0 112.374 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 14.7 p -102.88 143.24 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.167 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 52.3 p -53.79 -43.75 69.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 78.24 146.34 2.93 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.487 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 173.84 10.37 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.688 2.259 . . . . 0.0 112.311 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 47.5 p -94.13 -56.45 2.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 35.2 t -125.91 166.77 16.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.493 -179.942 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.4 p -137.45 131.4 31.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.865 0.364 . . . . 0.0 110.854 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 t -101.46 94.73 6.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.849 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.93 46.62 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.524 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 t -121.73 95.69 4.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.891 0.376 . . . . 0.0 110.837 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.2 p -71.19 -52.22 20.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.851 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.02 64.78 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.526 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -86.28 157.97 19.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.827 0.346 . . . . 0.0 110.885 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 17.4 tp60 -75.28 134.22 41.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.3 mt -96.94 154.98 16.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.545 ' CH2' ' HG3' ' A' ' 46' ' ' ARG . 30.0 m95 -70.49 147.59 49.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.434 HG23 ' H ' ' A' ' 15' ' ' GLU . 10.2 t -110.51 154.0 24.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.144 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.496 HG13 ' N ' ' A' ' 14' ' ' GLU . 7.2 p -38.36 -45.39 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.152 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.496 ' N ' HG13 ' A' ' 13' ' ' VAL . 22.7 mm-40 -57.43 -49.58 75.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.434 ' H ' HG23 ' A' ' 12' ' ' THR . 51.4 mt-10 -67.01 -55.55 13.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -37.77 -58.01 0.94 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' A' ' 18' ' ' LYS . 0.7 OUTLIER -62.25 -42.35 99.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.41 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 25.5 tttt -53.36 -58.55 6.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.907 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 17.5 tp -50.7 -45.79 58.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.641 ' O ' HD12 ' A' ' 24' ' ' ILE . 29.4 mm-40 -52.71 -54.91 27.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.853 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -59.4 -54.85 41.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.2 mt -47.97 -49.42 30.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.597 HD12 ' HA ' ' A' ' 20' ' ' GLU . 23.3 mt -40.88 -50.94 3.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.944 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.641 HD12 ' O ' ' A' ' 20' ' ' GLU . 5.3 mp -71.17 -45.93 68.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -44.48 -45.15 9.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -98.85 124.53 45.46 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.653 0.739 . . . . 0.0 110.941 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 154.5 67.61 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.66 2.24 . . . . 0.0 112.337 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 154.64 67.58 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.673 2.248 . . . . 0.0 112.35 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -151.21 162.19 41.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -55.31 -48.4 74.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 63.7 t -89.06 84.66 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.091 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.494 ' HB2' ' CE2' ' A' ' 36' ' ' TRP . 1.7 pm0 -53.33 -34.46 57.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.435 ' N ' ' HG2' ' A' ' 32' ' ' GLU . 14.5 t -42.51 -54.77 3.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.8 mtp180 -58.25 -57.02 14.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.882 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 64.4 ttt180 -40.72 -46.88 2.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.531 ' CZ3' HG21 ' A' ' 55' ' ' VAL . 8.3 m95 -65.66 -43.73 88.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -54.62 -44.4 73.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 72.0 mttt -63.45 -55.62 22.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 34.5 mt -55.0 -53.39 34.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.073 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.527 ' HB1' ' HA ' ' A' ' 47' ' ' THR . . . -51.13 -50.24 59.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.111 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -42.58 -58.13 2.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.857 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -47.32 -55.88 7.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.443 ' CD1' ' HB2' ' A' ' 46' ' ' ARG . 67.7 mt -47.45 -46.49 26.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 89.17 -43.77 3.07 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.495 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -86.35 -44.88 11.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.866 0.365 . . . . 0.0 110.921 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.545 ' HG3' ' CH2' ' A' ' 11' ' ' TRP . 2.8 mmp_? -74.94 173.58 10.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.527 ' HA ' ' HB1' ' A' ' 40' ' ' ALA . 58.4 p -142.94 157.41 44.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.109 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 47' ' ' THR . . . -34.09 -52.93 0.47 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.114 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.409 ' O ' ' N ' ' A' ' 52' ' ' ALA . 8.9 mmtp -58.85 -70.04 0.17 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.873 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 54.3 mm-40 -40.04 -35.92 0.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.963 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.487 ' O ' HG23 ' A' ' 55' ' ' VAL . 86.6 t -72.68 -42.99 62.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.158 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 49' ' ' LYS . . . -57.01 -49.44 75.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.108 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 74.0 m -65.05 -28.9 69.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.441 ' O ' ' CD1' ' A' ' 58' ' ' TYR . 14.3 tp60 -77.29 -39.72 47.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.945 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.576 HG22 HD21 ' A' ' 23' ' ' LEU . 81.5 t -70.28 -46.88 69.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.486 ' HG3' ' N ' ' A' ' 57' ' ' LYS . 11.4 pt20 -52.55 -36.67 56.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.486 ' N ' ' HG3' ' A' ' 56' ' ' GLN . 75.1 mttt -91.49 21.74 4.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.441 ' CD1' ' O ' ' A' ' 54' ' ' GLN . 2.6 m-85 -119.79 -37.43 3.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.427 ' CD1' ' N ' ' A' ' 59' ' ' PHE . 1.9 m-85 -103.26 -38.32 7.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.86 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 28.3 mt -66.53 -33.48 63.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.136 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.505 ' O ' HD12 ' A' ' 67' ' ' ILE . 27.7 tttp -64.13 -36.72 84.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.509 HD12 ' C ' ' A' ' 62' ' ' LEU . 4.0 pp -88.8 26.56 1.5 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.927 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.658 HG22 ' O ' ' A' ' 63' ' ' THR . 30.0 m -124.9 38.52 4.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.166 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.463 ' HB3' HD11 ' A' ' 67' ' ' ILE . 1.6 tmtp? -173.33 129.99 0.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -89.49 127.9 35.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.062 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.44 ' O ' ' C ' ' A' ' 67' ' ' ILE . . . 122.52 -33.39 4.15 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.508 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.646 HG23 ' HD2' ' A' ' 68' ' ' PRO . 86.8 mt -34.96 137.84 0.37 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.592 0.71 . . . . 0.0 111.155 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.646 ' HD2' HG23 ' A' ' 67' ' ' ILE . 54.0 Cg_endo -69.78 167.74 23.6 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.662 2.241 . . . . 0.0 112.321 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 96.3 t -98.42 122.32 49.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.146 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 37.1 m -134.98 127.37 30.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 113.45 154.16 11.36 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.496 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 94.78 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.67 2.247 . . . . 0.0 112.336 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.1 t -43.51 -45.68 6.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 20.3 m 50.04 42.18 24.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.812 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 -179.998 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.511 -0.235 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.439 ' HB2' ' CB ' ' A' ' 65' ' ' ALA . 1.2 t -93.95 177.19 6.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.882 0.372 . . . . 0.0 110.87 -179.736 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.7 p -128.59 118.26 22.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.46 43.58 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.464 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.6 m -120.97 95.17 4.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.877 0.37 . . . . 0.0 110.822 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.2 p -134.8 153.99 51.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.809 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.91 -158.03 19.3 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.452 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -118.04 -61.3 1.7 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.784 0.326 . . . . 0.0 110.905 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -100.62 42.29 1.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.723 HD23 ' N ' ' A' ' 11' ' ' TRP . 2.1 tt -47.02 145.43 2.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.918 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.723 ' N ' HD23 ' A' ' 10' ' ' LEU . 10.7 m0 -63.66 171.23 2.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.902 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 13' ' ' VAL . 6.1 t -118.32 148.26 42.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.136 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.443 ' C ' ' O ' ' A' ' 12' ' ' THR . 78.1 t -33.86 -49.27 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.145 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -53.13 -61.46 2.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.938 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.58 -41.48 77.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -49.01 -66.39 0.41 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.402 ' CE ' HG12 ' A' ' 13' ' ' VAL . 13.2 ptpt -59.53 -40.63 87.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 50.3 tttp -54.97 -43.27 73.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 1.023 HD23 ' CE2' ' A' ' 58' ' ' TYR . 25.5 tp -64.25 -60.1 3.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.615 ' HA ' HD12 ' A' ' 23' ' ' LEU . 25.5 mt-10 -36.51 -44.18 0.43 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.872 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 -64.69 -59.69 3.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.988 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.521 HD12 ' HA ' ' A' ' 19' ' ' LEU . 10.8 mt -44.31 -49.91 9.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.615 HD12 ' HA ' ' A' ' 20' ' ' GLU . 16.9 mt -38.69 -47.96 1.42 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 18.9 mt -66.73 -53.14 37.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.152 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.2 ttmt -49.84 -41.11 44.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 62.8 m-85 -100.69 99.6 10.53 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.657 0.741 . . . . 0.0 110.934 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 170.04 17.56 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.662 2.241 . . . . 0.0 112.355 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.442 ' HA ' ' OE2' ' A' ' 29' ' ' GLU . 53.6 Cg_endo -69.77 167.12 25.37 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.676 2.251 . . . . 0.0 112.344 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.542 ' N ' ' CD ' ' A' ' 29' ' ' GLU . 0.8 OUTLIER -156.4 -179.04 7.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.838 -179.925 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.418 ' HG3' HG23 ' A' ' 31' ' ' VAL . 5.3 pt-20 -63.78 -41.78 97.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.418 HG23 ' HG3' ' A' ' 30' ' ' GLU . 44.5 t -98.18 114.22 35.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.125 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.488 ' O ' ' NE1' ' A' ' 36' ' ' TRP . 6.4 tp10 -82.31 39.31 0.58 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 27.6 t -128.36 -55.11 1.26 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 -55.07 -31.72 61.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.858 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.437 ' HB2' ' CD ' ' A' ' 29' ' ' GLU . 65.0 ttt180 -61.44 -43.58 98.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.541 ' CZ3' HG21 ' A' ' 55' ' ' VAL . 12.2 m95 -68.42 -42.94 78.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.939 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 21.7 tp60 -55.09 -52.77 62.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.907 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 33.5 mtmt -54.34 -55.77 25.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.421 HG23 HD13 ' A' ' 22' ' ' LEU . 39.8 mt -54.63 -47.07 73.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.129 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.459 ' HB1' ' HA ' ' A' ' 47' ' ' THR . . . -49.99 -54.0 22.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.086 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -51.22 -43.79 61.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.868 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -63.84 -45.47 89.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.486 ' CD1' HG22 ' A' ' 51' ' ' VAL . 32.5 mt -51.32 -38.75 54.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.945 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 124.34 -80.53 0.36 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.51 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -99.9 -33.48 10.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.827 0.346 . . . . 0.0 110.896 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.539 ' HD2' ' CE2' ' A' ' 11' ' ' TRP . 15.4 mmp_? -49.88 145.63 5.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.459 ' HA ' ' HB1' ' A' ' 40' ' ' ALA . 19.7 p -115.35 161.27 18.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 47' ' ' THR . . . -35.12 -53.31 0.6 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.112 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 50' ' ' GLN . 8.9 mmtp -56.97 -70.0 0.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' A' ' 49' ' ' LYS . 92.0 mm-40 -37.04 -38.18 0.18 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.901 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.486 HG22 ' CD1' ' A' ' 43' ' ' LEU . 67.8 t -74.04 -47.97 40.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.67 -44.18 85.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 t -72.43 -11.88 60.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 10.0 tp60 -90.41 -28.89 18.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.907 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.541 HG21 ' CZ3' ' A' ' 36' ' ' TRP . 90.9 t -74.81 -45.73 43.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.168 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.484 ' HG3' ' N ' ' A' ' 57' ' ' LYS . 18.1 pt20 -41.95 -46.42 4.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.949 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.484 ' N ' ' HG3' ' A' ' 56' ' ' GLN . 55.7 mttt -75.82 -48.63 20.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 1.023 ' CE2' HD23 ' A' ' 19' ' ' LEU . 3.6 m-30 -41.28 -24.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.446 ' N ' ' O ' ' A' ' 57' ' ' LYS . 1.9 m-85 -116.09 -39.26 3.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.831 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.725 HG22 ' O ' ' A' ' 60' ' ' ILE . 30.1 mt -85.8 25.02 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.155 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.417 ' C ' ' HD3' ' A' ' 61' ' ' LYS . 1.3 tmtp? -127.8 -29.31 2.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.509 HD12 ' C ' ' A' ' 62' ' ' LEU . 4.6 pp -79.4 10.71 3.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.894 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 9.0 t -81.78 40.13 0.58 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 65' ' ' ALA . 33.3 mmtp 53.22 33.19 14.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.867 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.439 ' CB ' ' HB2' ' A' ' 2' ' ' SER . . . 34.52 43.51 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.135 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -107.54 36.33 4.46 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.471 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.657 HG23 ' HD2' ' A' ' 68' ' ' PRO . 86.2 mt -151.29 138.66 12.21 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.642 0.734 . . . . 0.0 111.11 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.657 ' HD2' HG23 ' A' ' 67' ' ' ILE . 53.3 Cg_endo -69.79 124.25 10.89 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.656 2.237 . . . . 0.0 112.324 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 90.9 t -92.39 -60.53 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.179 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.6 t -98.05 145.89 26.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.833 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 159.83 83.08 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.512 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 92.03 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.651 2.234 . . . . 0.0 112.355 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 28.9 t -88.92 -49.68 6.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.0 t -140.49 168.06 20.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.516 -179.988 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 t -85.15 42.09 0.92 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.847 0.356 . . . . 0.0 110.852 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 t -155.98 125.46 6.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.96 146.63 9.43 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.531 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 t -105.22 135.25 46.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.789 0.328 . . . . 0.0 110.853 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.6 p -154.53 143.03 20.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.64 52.27 0.7 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.488 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 37.1 m-20 -151.29 118.72 6.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.74 0.305 . . . . 0.0 110.917 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -41.92 128.12 3.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.946 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 12.5 mt -70.15 157.76 37.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.573 ' CH2' ' HG3' ' A' ' 46' ' ' ARG . 7.0 m95 -45.59 148.68 0.68 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.2 t -100.96 148.62 24.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.127 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.493 HG12 ' HD2' ' A' ' 17' ' ' LYS . 97.1 t -41.55 -53.66 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.166 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -42.09 -36.09 1.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.85 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 18' ' ' LYS . 39.7 mt-10 -91.26 -54.26 4.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -46.66 -29.28 1.78 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.951 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.493 ' HD2' HG12 ' A' ' 13' ' ' VAL . 7.6 ptmt -86.04 -25.87 25.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 15' ' ' GLU . 26.7 tttp -79.23 -47.83 15.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.595 HD23 ' CE2' ' A' ' 58' ' ' TYR . 31.8 tp -56.26 -57.54 11.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.937 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.427 ' HA ' HD12 ' A' ' 23' ' ' LEU . 70.8 mm-40 -43.35 -38.16 2.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -76.68 -55.23 5.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.666 HD13 HG23 ' A' ' 39' ' ' ILE . 23.1 mt -50.03 -33.08 17.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.427 HD12 ' HA ' ' A' ' 20' ' ' GLU . 28.9 mt -55.03 -42.8 73.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 22.9 mt -72.14 -50.12 38.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.497 ' HD2' ' CE2' ' A' ' 26' ' ' TYR . 2.9 tmtm? -55.27 -41.21 71.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.575 ' CE1' ' HB3' ' A' ' 38' ' ' LYS . 53.4 m-85 -104.91 92.23 5.05 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.677 0.751 . . . . 0.0 110.954 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 169.51 18.8 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.661 2.24 . . . . 0.0 112.368 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 162.23 42.89 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.685 2.257 . . . . 0.0 112.316 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -154.85 -177.08 6.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.561 ' HG3' HG23 ' A' ' 31' ' ' VAL . 6.1 pt-20 -59.99 -47.31 86.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.899 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.561 HG23 ' HG3' ' A' ' 30' ' ' GLU . 83.2 t -102.35 100.04 9.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.124 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.407 ' HG2' ' N ' ' A' ' 33' ' ' SER . 0.7 OUTLIER -60.67 -35.54 76.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.407 ' N ' ' HG2' ' A' ' 32' ' ' GLU . 6.9 p -44.37 -48.24 9.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.84 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.3 mtp180 -66.69 -46.44 75.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.859 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 45.4 ttt180 -45.74 -46.63 15.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.895 ' CZ3' HG21 ' A' ' 55' ' ' VAL . 16.1 m95 -72.35 -28.04 62.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -70.49 -49.51 47.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.91 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.575 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 65.9 mttt -54.68 -43.33 72.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.666 HG23 HD13 ' A' ' 22' ' ' LEU . 26.4 mt -67.64 -51.97 45.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.12 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.469 ' HA ' HD12 ' A' ' 43' ' ' LEU . . . -48.8 -53.72 18.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.128 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -42.32 -57.61 2.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -50.34 -50.38 51.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.497 HD13 ' HB2' ' A' ' 46' ' ' ARG . 26.6 mt -56.52 -46.5 80.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 80.98 -41.73 2.63 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.522 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -82.57 -45.31 14.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.807 0.337 . . . . 0.0 110.895 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.573 ' HG3' ' CH2' ' A' ' 11' ' ' TRP . 11.7 mmp_? -85.67 164.87 17.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 48' ' ' ALA . 10.4 p -125.43 157.61 36.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.168 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 47' ' ' THR . . . -36.29 -47.91 0.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.09 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.21 -64.76 0.8 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -46.04 -33.38 3.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.884 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.855 ' O ' HG23 ' A' ' 55' ' ' VAL . 63.3 t -75.83 -39.35 38.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.167 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.7 -46.05 89.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.082 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 30.6 p -65.54 -45.42 83.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -56.62 -43.94 80.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.895 HG21 ' CZ3' ' A' ' 36' ' ' TRP . 90.9 t -56.03 -38.44 53.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.133 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 34.2 mm-40 -56.94 -47.46 80.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.4 mtpp -84.72 16.78 3.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.706 ' C ' HD21 ' A' ' 62' ' ' LEU . 2.9 m-30 -116.69 -13.45 10.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -132.28 -52.48 0.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 71.8 mt -58.12 -42.82 84.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.129 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 64.8 tttt -60.9 -33.46 73.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.706 HD21 ' C ' ' A' ' 58' ' ' TYR . 0.1 OUTLIER -101.21 48.65 0.89 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.91 179.921 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 14.4 t -97.31 152.66 18.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.195 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.4 ttpm? -129.46 -63.52 0.93 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -170.49 159.77 7.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.1 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 139.6 -39.21 1.55 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.437 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.657 HG23 ' HD2' ' A' ' 68' ' ' PRO . 5.3 mp -73.7 138.53 77.06 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.577 0.704 . . . . 0.0 111.15 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.657 ' HD2' HG23 ' A' ' 67' ' ' ILE . 53.6 Cg_endo -69.78 117.77 5.28 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.635 2.224 . . . . 0.0 112.339 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 99.0 t -76.13 -49.2 26.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.134 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.459 ' O ' ' C ' ' A' ' 71' ' ' GLY . 6.4 t -102.62 80.26 1.9 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.459 ' C ' ' O ' ' A' ' 70' ' ' SER . . . -32.9 96.38 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.467 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.426 ' N ' ' O ' ' A' ' 70' ' ' SER . 53.2 Cg_endo -69.79 143.92 52.23 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.67 2.247 . . . . 0.0 112.38 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 12.0 t -158.39 179.51 9.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 16.4 t -54.14 100.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.857 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.382 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.496 -179.999 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.456 -0.257 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.1 m -41.6 150.99 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.916 0.389 . . . . 0.0 110.844 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.5 p -158.19 164.64 36.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.859 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.71 135.76 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.491 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m -111.78 92.19 3.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.909 0.385 . . . . 0.0 110.871 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.1 m -73.04 -51.89 16.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.873 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.59 -167.67 37.86 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.506 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -76.97 -39.0 52.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.78 0.324 . . . . 0.0 110.876 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -85.78 36.83 0.68 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.674 HD23 ' N ' ' A' ' 11' ' ' TRP . 2.1 tt -46.92 145.42 2.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.674 ' N ' HD23 ' A' ' 10' ' ' LEU . 55.8 m95 -37.1 116.26 0.44 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 13' ' ' VAL . 14.6 t -88.92 152.99 21.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.152 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.536 HG13 ' N ' ' A' ' 14' ' ' GLU . 9.3 p -35.71 -47.48 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.122 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.536 ' N ' HG13 ' A' ' 13' ' ' VAL . 14.0 mt-10 -51.43 -52.43 46.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -69.45 -47.97 62.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -41.71 -53.35 3.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.472 ' HG3' ' N ' ' A' ' 18' ' ' LYS . 16.6 pttp -71.75 -35.26 70.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.524 ' CD ' HD11 ' A' ' 22' ' ' LEU . 1.2 tmtp? -59.1 -62.12 2.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.921 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.454 ' HA ' HD12 ' A' ' 22' ' ' LEU . 10.9 tp -47.62 -47.31 28.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.939 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.632 ' HA ' HD12 ' A' ' 23' ' ' LEU . 23.8 mm-40 -49.72 -48.73 49.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -62.73 -41.53 99.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.524 HD11 ' CD ' ' A' ' 18' ' ' LYS . 22.9 mt -62.44 -51.17 68.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.632 HD12 ' HA ' ' A' ' 20' ' ' GLU . 56.5 mt -38.64 -52.56 1.65 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 29.2 mt -61.49 -46.97 95.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.106 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.4 tttt -56.29 -43.25 78.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.571 ' CE1' ' HB3' ' A' ' 38' ' ' LYS . 60.2 m-85 -105.51 93.22 6.77 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.677 0.751 . . . . 0.0 110.895 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 26' ' ' TYR . 53.3 Cg_endo -69.84 170.04 17.6 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.633 2.222 . . . . 0.0 112.333 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 113.89 3.53 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.657 2.238 . . . . 0.0 112.342 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -104.61 163.45 12.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.74 ' HG3' HG23 ' A' ' 31' ' ' VAL . 10.0 pt-20 -38.22 -44.23 0.84 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.74 HG23 ' HG3' ' A' ' 30' ' ' GLU . 27.3 t -104.09 94.95 3.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.11 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.491 ' HG2' ' CE2' ' A' ' 36' ' ' TRP . 17.5 tt0 -49.8 -45.29 49.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 43.6 t -46.58 -51.01 16.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 47.4 mtt-85 -55.43 -49.29 72.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.888 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 48.1 ttt180 -45.94 -52.63 11.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.784 ' CZ3' HG21 ' A' ' 55' ' ' VAL . 12.4 m95 -59.1 -46.2 88.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -51.17 -46.27 62.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.917 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.571 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 38.9 mttm -60.59 -46.84 88.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 73.4 mt -59.77 -56.47 17.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.167 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 41' ' ' ASP . . . -52.24 -58.0 7.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.126 179.771 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 40' ' ' ALA . 10.5 t0 -35.38 -54.95 0.66 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -56.74 -49.53 74.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.4 mt -56.54 -44.07 80.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.56 -42.12 2.39 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.452 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 40.0 t-20 -78.52 -47.04 18.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.784 0.326 . . . . 0.0 110.878 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.557 ' HG3' ' CH2' ' A' ' 11' ' ' TRP . 7.2 mmt-85 -85.44 169.02 14.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.442 ' O ' HG23 ' A' ' 51' ' ' VAL . 58.6 p -125.93 157.53 37.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 47' ' ' THR . . . -37.27 -55.48 1.01 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 52' ' ' ALA . 8.4 mmtp -56.41 -66.95 0.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.932 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 41.8 mm-40 -39.22 -39.88 0.67 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.72 ' O ' HG23 ' A' ' 55' ' ' VAL . 97.2 t -68.91 -42.15 82.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 49' ' ' LYS . . . -57.19 -50.88 71.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.146 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 18.1 m -57.76 -47.55 82.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.545 ' HG3' ' CE1' ' A' ' 58' ' ' TYR . 7.4 tp60 -55.83 -40.16 72.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.784 HG21 ' CZ3' ' A' ' 36' ' ' TRP . 94.9 t -56.17 -45.44 80.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.142 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -48.07 -50.92 26.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.11 24.2 0.96 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.545 ' CE1' ' HG3' ' A' ' 54' ' ' GLN . 3.6 m-85 -124.72 -35.06 2.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.92 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.431 ' CE1' HG13 ' A' ' 55' ' ' VAL . 2.1 m-85 -109.63 -50.3 3.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.906 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 69.4 mt -62.52 -39.34 84.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.136 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.1 ttpt -53.2 -42.13 65.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 59' ' ' PHE . 5.9 mt -65.2 -63.13 1.18 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 64' ' ' LYS . 23.1 p -43.44 141.26 1.42 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.1 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' 65' ' ' ALA . 48.1 mtmt 34.64 49.59 0.37 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 64' ' ' LYS . . . -34.42 150.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.11 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 96.72 42.63 3.31 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.473 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 4.5 mp -94.34 129.68 36.23 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.6 0.714 . . . . 0.0 111.147 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 120.79 7.52 Favored 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.712 2.275 . . . . 0.0 112.324 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 86.1 t -93.37 145.95 7.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.112 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 59.9 p -120.08 117.31 27.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.827 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -176.65 84.01 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.498 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 86.47 0.58 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.632 2.221 . . . . 0.0 112.36 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 11.5 t -64.8 -44.91 88.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.5 t -169.89 163.19 9.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.464 179.963 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.0 m 46.81 42.29 11.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.867 0.365 . . . . 0.0 110.846 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 t 52.47 41.84 31.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.19 -78.74 0.27 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.437 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 t -52.57 150.74 4.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.816 0.341 . . . . 0.0 110.899 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.7 t -86.58 -62.16 1.57 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.841 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.13 43.31 1.74 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.51 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 31.2 m120 40.91 40.94 1.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.777 0.322 . . . . 0.0 110.873 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -89.44 42.15 1.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.938 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 12.6 mt -101.71 168.76 9.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.933 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.561 ' CD1' ' NE2' ' A' ' 54' ' ' GLN . 11.1 m95 -38.35 155.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.405 ' O ' ' N ' ' A' ' 15' ' ' GLU . 12.3 t -105.19 149.13 26.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.193 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.462 HG13 ' N ' ' A' ' 14' ' ' GLU . 7.7 p -38.63 -44.58 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.142 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.462 ' N ' HG13 ' A' ' 13' ' ' VAL . 15.7 mt-10 -52.36 -42.94 64.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.495 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 48.1 mt-10 -81.83 -36.09 28.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.904 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -48.03 -65.06 0.63 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.1 pttt -51.9 -44.29 63.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.79 -67.11 0.34 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 40.8 tp -45.72 -54.63 7.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -48.96 -53.29 20.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -61.41 -61.44 2.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.931 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.435 HD13 HG23 ' A' ' 39' ' ' ILE . 87.8 mt -46.29 -40.19 11.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.561 HD21 HG22 ' A' ' 55' ' ' VAL . 27.0 mt -53.82 -48.24 70.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 43.6 mt -69.76 -42.24 80.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 43.6 tttp -64.31 -31.61 72.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.485 ' CE1' ' HB3' ' A' ' 38' ' ' LYS . 39.3 m-85 -102.06 97.65 8.74 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.685 0.755 . . . . 0.0 110.919 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 26' ' ' TYR . 53.7 Cg_endo -69.77 170.08 17.42 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.674 2.249 . . . . 0.0 112.386 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.447 ' HA ' ' OE2' ' A' ' 29' ' ' GLU . 53.9 Cg_endo -69.74 164.47 34.39 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.725 2.283 . . . . 0.0 112.353 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.447 ' OE2' ' HA ' ' A' ' 28' ' ' PRO . 1.5 pm0 -154.55 -175.36 5.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -60.24 -50.65 72.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.515 HG12 ' H ' ' A' ' 33' ' ' SER . 2.1 t -98.02 134.56 35.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.116 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.59 ' O ' ' CD1' ' A' ' 36' ' ' TRP . 37.0 tt0 -89.34 -1.05 57.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.515 ' H ' HG12 ' A' ' 31' ' ' VAL . 4.7 t -96.7 -27.19 14.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.842 -179.759 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.469 ' HD2' ' N ' ' A' ' 34' ' ' ARG . 0.6 OUTLIER -77.68 -26.06 49.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.889 -179.944 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.426 ' HB2' ' CD ' ' A' ' 29' ' ' GLU . 67.7 ttt180 -69.12 -44.84 71.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.754 ' CZ3' HG21 ' A' ' 55' ' ' VAL . 12.4 m95 -67.06 -42.6 84.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.916 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -50.97 -40.31 57.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.94 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.485 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 38.5 mttm -69.89 -59.55 2.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.435 HG23 HD13 ' A' ' 22' ' ' LEU . 67.9 mt -47.36 -43.65 8.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.093 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.25 -49.41 77.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.087 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -45.62 -47.13 14.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -59.03 -45.66 90.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.768 HD13 ' HB2' ' A' ' 46' ' ' ARG . 9.7 mt -60.56 -58.05 10.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 98.81 -38.97 2.89 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.525 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -93.35 -45.09 7.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.803 0.335 . . . . 0.0 110.896 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.768 ' HB2' HD13 ' A' ' 43' ' ' LEU . 77.3 mmt-85 -77.09 167.02 22.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.645 ' O ' HG23 ' A' ' 51' ' ' VAL . 40.5 p -129.3 163.47 25.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.13 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -39.11 -51.32 1.89 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.485 ' O ' ' N ' ' A' ' 52' ' ' ALA . 10.8 mmmt -61.08 -71.28 0.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -38.46 -29.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 47' ' ' THR . 91.3 t -78.64 -42.25 25.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.155 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.485 ' N ' ' O ' ' A' ' 49' ' ' LYS . . . -61.67 -49.87 74.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.104 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.4 t -53.47 -38.5 63.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.561 ' NE2' ' CD1' ' A' ' 11' ' ' TRP . 9.5 tp60 -65.56 -52.05 55.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.912 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.754 HG21 ' CZ3' ' A' ' 36' ' ' TRP . 95.8 t -52.47 -36.11 21.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.161 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -55.41 -50.07 70.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.948 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.3 mttp -82.49 18.13 1.57 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -114.21 -39.26 3.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.471 ' O ' HD12 ' A' ' 62' ' ' LEU . 2.4 m-85 -103.11 -44.13 5.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.43 ' O ' HG22 ' A' ' 63' ' ' THR . 56.6 mt -68.2 -53.36 29.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.142 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 62' ' ' LEU . 40.3 tttt -41.02 -34.96 0.47 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.471 HD12 ' O ' ' A' ' 59' ' ' PHE . 36.2 mt -37.17 -50.17 0.94 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.951 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.43 HG22 ' O ' ' A' ' 60' ' ' ILE . 14.7 t -45.83 159.27 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.6 tppt? -111.12 -42.74 3.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.66 -45.13 84.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.111 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -80.48 51.17 4.17 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.498 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.657 HG23 ' HD2' ' A' ' 68' ' ' PRO . 47.7 mm -124.19 138.45 30.82 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.668 0.747 . . . . 0.0 111.117 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.657 ' HD2' HG23 ' A' ' 67' ' ' ILE . 53.9 Cg_endo -69.74 153.34 69.16 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.679 2.253 . . . . 0.0 112.372 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 9.4 p -123.75 133.33 69.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.2 t -138.25 168.47 19.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -120.82 83.37 0.36 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.494 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 89.54 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.714 2.276 . . . . 0.0 112.346 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 26.7 t -41.44 -53.93 3.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 79.7 p -148.4 144.72 27.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.852 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.51 179.994 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.5 m 61.24 42.22 12.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.923 0.392 . . . . 0.0 110.89 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 t -90.86 42.19 1.09 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.873 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.54 -92.89 0.78 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.487 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.7 p 39.34 41.79 0.72 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.859 0.362 . . . . 0.0 110.899 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.4 p -109.21 142.73 39.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.509 ' CA ' HD13 ' A' ' 10' ' ' LEU . . . 61.31 88.16 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.429 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 46.7 t-20 -62.42 -57.6 10.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.756 0.312 . . . . 0.0 110.899 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 22.7 mp0 -74.83 -4.37 37.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.953 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.509 HD13 ' CA ' ' A' ' 7' ' ' GLY . 5.6 mp -96.05 169.24 10.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.559 ' CH2' ' HG3' ' A' ' 46' ' ' ARG . 40.9 m95 -74.02 126.23 30.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.7 t -93.92 158.6 15.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.131 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.526 HG13 ' N ' ' A' ' 14' ' ' GLU . 8.3 p -45.14 -47.36 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.094 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.526 ' N ' HG13 ' A' ' 13' ' ' VAL . 59.6 mm-40 -52.59 -48.33 66.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 16' ' ' GLN . 46.6 mt-10 -68.82 -55.47 11.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 15' ' ' GLU . 47.9 mt-30 -36.84 -61.91 0.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.45 ' HG3' ' N ' ' A' ' 18' ' ' LYS . 13.3 ptpt -55.67 -49.65 72.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.45 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 21.1 tttp -50.56 -59.35 4.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.475 HD22 ' CH2' ' A' ' 11' ' ' TRP . 24.3 tp -54.38 -66.8 0.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.959 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 19' ' ' LEU . 69.1 mt-10 -35.54 -40.59 0.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 24.2 mm-40 -70.18 -52.28 24.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 24.9 mt -57.9 -50.83 72.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.424 HD12 ' HG ' ' A' ' 19' ' ' LEU . 15.9 mt -41.53 -44.91 3.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 44.3 mt -77.76 -39.78 26.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.542 ' HD2' ' CE2' ' A' ' 26' ' ' TYR . 1.4 tmtp? -53.87 -44.64 70.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.888 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.542 ' CE2' ' HD2' ' A' ' 25' ' ' LYS . 54.6 m-85 -91.55 120.23 68.28 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.698 0.761 . . . . 0.0 110.919 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 155.43 65.81 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.666 2.244 . . . . 0.0 112.333 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 172.03 13.44 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.707 2.272 . . . . 0.0 112.333 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.427 ' CD ' ' HD2' ' A' ' 34' ' ' ARG . 5.3 pt-20 -162.91 173.34 13.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -50.59 -47.55 58.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.559 HG12 ' H ' ' A' ' 34' ' ' ARG . 69.2 t -104.56 113.42 41.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.143 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -72.72 -31.04 64.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.2 t -53.07 -48.43 67.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.559 ' H ' HG12 ' A' ' 31' ' ' VAL . 6.5 ptp85 -66.1 -28.18 68.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.4 ' N ' ' HG3' ' A' ' 34' ' ' ARG . 55.8 ttt180 -69.04 -44.05 73.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.517 ' CH2' HG11 ' A' ' 55' ' ' VAL . 13.3 m95 -63.55 -36.4 83.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.824 ' HA ' ' HB2' ' A' ' 48' ' ' ALA . 5.3 tp-100 -57.3 -48.25 79.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.939 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.1 mttt -58.74 -46.54 87.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.929 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 62.7 mt -62.0 -44.46 98.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.434 ' O ' ' C ' ' A' ' 41' ' ' ASP . . . -55.09 -56.4 20.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.084 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 40' ' ' ALA . 4.1 t70 -34.54 -59.45 0.46 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.887 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -52.45 -50.25 63.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.8 mt -56.85 -41.85 78.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.933 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 75.7 -46.92 2.07 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.522 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -74.46 -50.59 17.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.788 0.328 . . . . 0.0 110.912 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.559 ' HG3' ' CH2' ' A' ' 11' ' ' TRP . 8.1 mmt180 -85.14 157.35 20.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.841 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.488 ' O ' ' N ' ' A' ' 49' ' ' LYS . 38.6 p -119.12 156.3 30.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.824 ' HB2' ' HA ' ' A' ' 37' ' ' GLN . . . -38.18 -26.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.113 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 47' ' ' THR . 0.1 OUTLIER -81.04 -67.34 0.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -47.0 -31.79 3.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.893 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.73 ' O ' HG23 ' A' ' 55' ' ' VAL . 98.1 t -69.94 -42.05 79.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.68 -47.36 82.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.083 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 93.1 p -55.76 -46.9 77.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.826 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.4 ' HG3' ' CE1' ' A' ' 58' ' ' TYR . 4.4 tp-100 -62.76 -43.66 98.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.93 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.73 HG23 ' O ' ' A' ' 51' ' ' VAL . 91.2 t -51.69 -32.85 14.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.127 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.472 ' OE1' HD11 ' A' ' 60' ' ' ILE . 12.2 mm100 -58.27 -43.24 87.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -90.19 18.81 5.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.4 ' CE1' ' HG3' ' A' ' 54' ' ' GLN . 3.7 m-85 -119.1 -24.64 6.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.514 ' O ' HG23 ' A' ' 63' ' ' THR . 1.9 m-85 -120.9 -44.8 2.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.472 HD11 ' OE1' ' A' ' 56' ' ' GLN . 20.8 mt -76.16 -15.03 15.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.168 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 33.2 tttp -75.25 -42.32 55.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.865 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.514 HD12 ' C ' ' A' ' 62' ' ' LEU . 2.4 pp -74.47 -38.91 62.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.87 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.514 HG23 ' O ' ' A' ' 59' ' ' PHE . 29.3 p -47.29 126.54 9.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.109 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.8 mtmt -52.34 -62.28 1.74 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.931 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -87.63 141.97 28.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.413 ' C ' HG13 ' A' ' 67' ' ' ILE . . . 110.27 39.0 1.56 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.491 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.643 HG23 ' HD2' ' A' ' 68' ' ' PRO . 82.9 mt -149.45 138.35 12.43 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.6 0.714 . . . . 0.0 111.161 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.643 ' HD2' HG23 ' A' ' 67' ' ' ILE . 53.8 Cg_endo -69.76 -173.29 0.69 Allowed 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.701 2.267 . . . . 0.0 112.306 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 88.4 t -138.41 139.55 41.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.1 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 33.5 t -172.2 139.91 1.11 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -114.95 -179.51 18.62 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.472 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -45.09 1.68 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.694 2.263 . . . . 0.0 112.33 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 59.7 p -110.36 164.42 12.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.841 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 20.5 t -88.21 107.84 18.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.86 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.492 -179.983 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.5 m -143.06 173.0 11.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.84 0.352 . . . . 0.0 110.9 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.5 m -104.08 -62.29 1.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.845 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.18 120.98 2.12 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.463 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -140.41 163.68 32.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.832 0.349 . . . . 0.0 110.897 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.9 m -138.27 175.37 9.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.846 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.51 -125.1 1.19 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.502 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -133.16 -47.78 0.85 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.813 0.339 . . . . 0.0 110.899 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -133.15 80.8 1.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.6 mt -98.14 169.69 9.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.585 ' CZ3' ' HB3' ' A' ' 15' ' ' GLU . 12.6 m95 -62.58 179.12 0.36 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.455 HG23 ' HB2' ' A' ' 14' ' ' GLU . 8.9 t -140.31 148.39 41.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.157 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.446 ' C ' ' O ' ' A' ' 12' ' ' THR . 77.3 t -33.08 -45.29 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.171 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.497 ' O ' ' CB ' ' A' ' 18' ' ' LYS . 14.1 mt-10 -48.91 -68.42 0.18 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.585 ' HB3' ' CZ3' ' A' ' 11' ' ' TRP . 48.7 mm-40 -61.94 -37.36 84.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.856 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -45.47 -70.2 0.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.42 ' NZ ' ' HA ' ' A' ' 14' ' ' GLU . 8.4 pttm -72.63 -44.23 62.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.497 ' CB ' ' O ' ' A' ' 14' ' ' GLU . 54.4 tttt -50.39 -31.13 13.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.907 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.423 HD22 ' CH2' ' A' ' 11' ' ' TRP . 9.4 tp -75.96 -56.51 4.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.756 ' HA ' HD12 ' A' ' 23' ' ' LEU . 62.8 mt-10 -43.67 -43.39 5.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.881 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -63.16 -50.01 72.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.59 ' HB3' HG23 ' A' ' 39' ' ' ILE . 27.1 mt -53.64 -50.13 66.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.756 HD12 ' HA ' ' A' ' 20' ' ' GLU . 21.1 mt -42.02 -45.43 3.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 37.1 mt -66.07 -43.43 92.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.104 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 64.8 tttt -59.68 -44.76 93.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.895 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.478 ' CE1' ' HB3' ' A' ' 38' ' ' LYS . 68.1 m-85 -97.02 103.53 15.45 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.698 0.761 . . . . 0.0 110.926 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' ' 26' ' ' TYR . 54.3 Cg_endo -69.78 161.78 44.63 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.665 2.244 . . . . 0.0 112.387 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 126.32 13.16 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.681 2.254 . . . . 0.0 112.355 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.418 ' OE2' ' CE ' ' A' ' 38' ' ' LYS . 11.7 pt-20 -111.77 177.62 4.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -53.5 -49.09 68.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.502 HG12 ' H ' ' A' ' 34' ' ' ARG . 59.0 t -93.33 117.29 36.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.084 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.459 ' HG3' ' CZ2' ' A' ' 36' ' ' TRP . 6.0 tp10 -64.84 -42.58 94.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.5 t -55.3 -58.88 5.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.839 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.502 ' H ' HG12 ' A' ' 31' ' ' VAL . 28.8 mtt180 -43.97 -47.89 8.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.883 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 66.3 ttt180 -49.23 -63.91 0.96 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.668 ' CZ3' HG21 ' A' ' 55' ' ' VAL . 8.7 m95 -46.69 -47.14 20.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.926 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 21.0 tp60 -51.42 -46.54 62.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.94 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.478 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 43.4 mttm -58.48 -60.15 4.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.59 HG23 ' HB3' ' A' ' 22' ' ' LEU . 24.5 mt -52.17 -48.17 43.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.153 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -51.61 -57.52 8.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.074 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -38.16 -47.79 1.19 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.822 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -59.08 -49.32 78.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.418 HD22 ' CD ' ' A' ' 15' ' ' GLU . 85.6 mt -61.68 -52.44 64.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 94.73 -58.48 1.84 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 28.2 m-20 -67.93 -43.24 79.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.866 0.365 . . . . 0.0 110.91 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.56 ' HG3' ' CH2' ' A' ' 11' ' ' TRP . 15.6 mmp_? -83.63 160.31 21.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.885 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.459 ' O ' HG23 ' A' ' 51' ' ' VAL . 8.2 p -128.02 169.19 14.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.145 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -48.41 -26.41 2.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.091 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.2 mmtt -79.6 -65.81 0.95 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -48.49 -28.47 3.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.942 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.953 ' O ' HG23 ' A' ' 55' ' ' VAL . 86.3 t -81.33 -37.81 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.085 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.73 -49.67 76.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.045 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -66.43 -42.0 88.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.817 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.455 ' HG3' ' CE1' ' A' ' 58' ' ' TYR . 4.5 tp60 -60.94 -46.89 88.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.953 HG23 ' O ' ' A' ' 51' ' ' VAL . 92.6 t -53.35 -37.48 29.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 47.9 mm-40 -57.5 -48.44 79.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.5 mttp -83.91 23.61 1.0 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.956 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.455 ' CE1' ' HG3' ' A' ' 54' ' ' GLN . 3.1 m-85 -121.96 -33.48 3.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.608 ' O ' HD12 ' A' ' 62' ' ' LEU . 2.4 m-85 -110.76 -44.45 3.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.548 ' O ' HG22 ' A' ' 63' ' ' THR . 79.0 mt -71.95 -49.34 45.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.133 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 60' ' ' ILE . 82.8 tttt -37.92 -44.41 0.78 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.608 HD12 ' O ' ' A' ' 59' ' ' PHE . 16.9 mt -38.31 -50.96 1.5 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.548 HG22 ' O ' ' A' ' 60' ' ' ILE . 8.0 t -39.6 144.27 0.18 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.138 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 35.5 mtpt -39.33 134.55 1.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -80.96 139.34 35.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.108 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 127.22 41.07 0.31 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.501 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.565 HG23 ' HD2' ' A' ' 68' ' ' PRO . 47.4 mt -121.12 136.81 25.99 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.598 0.714 . . . . 0.0 111.145 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.565 ' HD2' HG23 ' A' ' 67' ' ' ILE . 54.2 Cg_endo -69.72 121.37 8.07 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.66 2.24 . . . . 0.0 112.408 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 96.7 t -108.46 137.43 40.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.106 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 14.7 m -134.77 -46.68 0.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.828 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 117.74 78.96 0.67 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.535 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 151.71 69.09 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.687 2.258 . . . . 0.0 112.351 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.6 t 48.74 41.76 18.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.832 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 90.7 p -52.69 -38.17 60.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.474 -179.965 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.481 -0.247 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.0 m -125.62 160.63 29.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.927 0.394 . . . . 0.0 110.835 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.3 p -76.84 153.25 35.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.856 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.81 66.5 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.448 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 t -69.13 -62.57 1.32 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.92 0.391 . . . . 0.0 110.901 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.0 m -100.56 150.9 22.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.841 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.47 78.64 1.35 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.508 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -104.45 79.78 1.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.732 0.301 . . . . 0.0 110.891 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -122.08 80.61 1.73 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.968 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.1 mp -92.48 154.72 18.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.538 ' CZ2' ' HG3' ' A' ' 46' ' ' ARG . 12.4 m95 -51.7 171.87 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.564 HG23 ' H ' ' A' ' 15' ' ' GLU . 10.3 t -119.54 139.93 51.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.411 HG13 ' N ' ' A' ' 14' ' ' GLU . 7.2 p -36.68 -41.52 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.136 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.411 ' N ' HG13 ' A' ' 13' ' ' VAL . 6.2 mm-40 -58.33 -43.96 88.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.564 ' H ' HG23 ' A' ' 12' ' ' THR . 0.0 OUTLIER -80.6 -53.17 6.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.94 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 15' ' ' GLU . 91.0 mt-30 -37.01 -53.15 0.97 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.6 ptmm? -69.03 -38.45 79.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.547 ' CD ' HD11 ' A' ' 22' ' ' LEU . 1.9 tmtp? -57.33 -45.77 83.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.632 HD23 ' CE2' ' A' ' 58' ' ' TYR . 24.8 tp -55.7 -51.51 67.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.946 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -42.07 -49.97 4.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.828 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -63.64 -44.61 93.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.547 HD11 ' CD ' ' A' ' 18' ' ' LYS . 22.4 mt -60.14 -60.24 4.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.468 ' HG ' ' CD1' ' A' ' 19' ' ' LEU . 38.0 mt -34.67 -47.06 0.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 18.5 mt -67.29 -42.36 87.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.487 ' N ' ' O ' ' A' ' 22' ' ' LEU . 13.5 tttp -62.62 -38.62 90.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.528 ' CE1' ' HB3' ' A' ' 38' ' ' LYS . 51.9 m-85 -104.78 92.73 5.39 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.682 0.753 . . . . 0.0 110.924 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 166.86 26.27 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.637 2.225 . . . . 0.0 112.315 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 111.97 2.94 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.702 2.268 . . . . 0.0 112.364 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.43 ' O ' ' C ' ' A' ' 30' ' ' GLU . 9.1 pt-20 -97.14 179.43 4.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.908 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.719 ' HG3' HG23 ' A' ' 31' ' ' VAL . 6.0 pt-20 -36.03 -48.55 0.6 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.719 HG23 ' HG3' ' A' ' 30' ' ' GLU . 1.8 t -111.02 152.14 13.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.165 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.601 ' O ' ' CD1' ' A' ' 36' ' ' TRP . 0.0 OUTLIER -99.62 -21.26 15.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.408 ' H ' HG12 ' A' ' 31' ' ' VAL . 72.1 m -75.91 -19.4 58.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.452 ' N ' ' CD ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -87.7 -46.43 9.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.919 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 34.9 ttt180 -46.35 -41.09 12.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.857 ' CZ3' HG21 ' A' ' 55' ' ' VAL . 11.9 m95 -63.65 -38.02 89.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.1 tp60 -57.34 -46.39 83.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.528 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 52.5 mttm -63.93 -45.9 87.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 38.6 mt -61.13 -54.17 38.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.158 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -47.32 -50.72 21.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -46.17 -50.01 16.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.826 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -55.54 -49.65 72.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.522 HD23 ' HD2' ' A' ' 18' ' ' LYS . 20.6 mt -60.41 -58.8 6.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.53 -30.79 6.56 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.427 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -87.07 -47.11 9.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.82 0.343 . . . . 0.0 110.843 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.538 ' HG3' ' CZ2' ' A' ' 11' ' ' TRP . 8.7 mmt180 -86.8 -178.79 6.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.882 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.508 ' O ' HG23 ' A' ' 51' ' ' VAL . 50.5 p -138.22 157.6 45.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.114 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 47' ' ' THR . . . -34.21 -58.51 0.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.126 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.425 ' O ' ' N ' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -54.65 -70.0 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -39.01 -39.29 0.53 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.944 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.651 ' O ' HG23 ' A' ' 55' ' ' VAL . 99.1 t -68.83 -43.04 82.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.114 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 49' ' ' LYS . . . -56.59 -41.63 77.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.065 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.7 t -70.36 -38.52 74.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.858 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.49 ' HG3' ' CE1' ' A' ' 58' ' ' TYR . 6.1 tp60 -66.54 -30.2 70.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.87 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.857 HG21 ' CZ3' ' A' ' 36' ' ' TRP . 79.1 t -64.06 -47.51 89.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.119 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.488 ' OE1' ' CG ' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -51.97 -39.33 59.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.488 ' CG ' ' OE1' ' A' ' 56' ' ' GLN . 33.3 mttt -88.47 20.82 3.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.632 ' CE2' HD23 ' A' ' 19' ' ' LEU . 2.8 m-85 -121.18 -22.4 6.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.49 ' O ' ' CD1' ' A' ' 62' ' ' LEU . 2.5 m-85 -121.93 -30.94 4.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.912 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 35.2 mt -91.24 -23.97 5.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.085 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 41.7 tttp -80.39 -48.0 13.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.925 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.916 HD13 ' N ' ' A' ' 63' ' ' THR . 0.0 OUTLIER -66.38 -4.3 7.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.901 179.901 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.916 ' N ' HD13 ' A' ' 62' ' ' LEU . 9.3 t -51.32 172.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt -125.02 76.49 1.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.5 ' O ' ' N ' ' A' ' 67' ' ' ILE . . . -131.24 -174.84 3.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.158 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 67' ' ' ILE . . . -38.84 -24.94 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.483 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.5 ' N ' ' O ' ' A' ' 65' ' ' ALA . 22.1 mt -33.72 132.84 0.37 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.665 0.745 . . . . 0.0 111.151 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 146.34 60.17 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.716 2.277 . . . . 0.0 112.368 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 8.4 p -76.09 138.08 21.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.133 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 49.0 m -116.67 173.3 6.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -133.1 70.21 0.52 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.468 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 105.84 1.55 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.68 2.253 . . . . 0.0 112.358 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 66.9 m 52.51 42.22 31.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.823 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.7 m -110.66 -51.91 2.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.832 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.501 -179.991 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.0 m -153.38 157.55 40.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.867 0.365 . . . . 0.0 110.836 -179.667 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.5 m -84.38 -60.82 1.96 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.83 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.93 48.24 0.5 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.467 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.7 m -112.57 129.25 56.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.837 0.351 . . . . 0.0 110.875 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.6 t -149.13 153.22 37.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.847 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.66 -142.09 3.57 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.484 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 -91.59 45.43 1.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.736 0.303 . . . . 0.0 110.882 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? -111.23 38.29 2.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.5 mp -73.88 154.51 39.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.936 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.588 ' CG ' ' NE2' ' A' ' 54' ' ' GLN . 12.2 m95 -112.26 173.18 6.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.59 HG23 ' H ' ' A' ' 15' ' ' GLU . 12.7 t -118.32 154.84 31.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.124 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.533 HG13 ' N ' ' A' ' 14' ' ' GLU . 6.1 p -46.52 -49.43 6.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.11 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.533 ' N ' HG13 ' A' ' 13' ' ' VAL . 31.0 mm-40 -51.34 -46.95 62.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.59 ' H ' HG23 ' A' ' 12' ' ' THR . 30.5 mt-10 -68.41 -50.08 55.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -43.3 -48.42 6.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.903 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.487 ' NZ ' HG22 ' A' ' 13' ' ' VAL . 8.2 ptpp? -76.76 -34.87 58.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.867 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.5 tttp -63.67 -66.19 0.58 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 20' ' ' GLU . 10.8 tp -44.17 -58.6 2.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.637 ' O ' HD12 ' A' ' 24' ' ' ILE . 43.3 mt-10 -37.89 -56.75 1.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -59.91 -42.89 94.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.926 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.403 HD13 HG23 ' A' ' 39' ' ' ILE . 30.6 mt -59.45 -38.28 80.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.442 ' O ' ' NH2' ' A' ' 35' ' ' ARG . 73.1 mt -54.15 -51.15 65.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.637 HD12 ' O ' ' A' ' 20' ' ' GLU . 5.3 mp -72.34 -44.13 63.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.3 tttp -56.53 -34.21 66.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.866 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -94.48 122.44 61.04 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.721 0.772 . . . . 0.0 110.909 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 170.1 17.38 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.711 2.274 . . . . 0.0 112.334 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 166.51 27.3 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.666 2.244 . . . . 0.0 112.372 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.499 ' OE1' ' N ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -139.59 -178.04 5.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.877 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -71.09 -47.69 56.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.91 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.473 ' O ' ' C ' ' A' ' 32' ' ' GLU . 22.6 t -117.02 117.73 56.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.132 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.525 ' HG2' ' CE2' ' A' ' 36' ' ' TRP . 6.8 tt0 -32.85 -64.9 0.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.862 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 32' ' ' GLU . 5.4 p -35.85 -56.93 0.69 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.826 -179.748 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.473 ' CG ' ' HB ' ' A' ' 31' ' ' VAL . 23.1 mmt180 -39.66 -51.79 2.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.835 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.442 ' NH2' ' O ' ' A' ' 23' ' ' LEU . 72.1 ttt180 -52.45 -67.14 0.28 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.525 ' CE2' ' HG2' ' A' ' 32' ' ' GLU . 5.5 m95 -44.92 -46.79 11.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.626 ' HA ' ' HB2' ' A' ' 48' ' ' ALA . 6.3 tp60 -49.19 -34.11 13.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.89 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.5 mttm -75.81 -59.55 2.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.403 HG23 HD13 ' A' ' 22' ' ' LEU . 50.5 mt -48.36 -42.16 11.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.099 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -53.54 -54.28 39.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.083 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -39.42 -48.04 1.88 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -57.06 -53.39 58.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.487 HD13 ' HB2' ' A' ' 46' ' ' ARG . 58.3 mt -56.54 -48.67 76.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 85.05 -31.78 3.64 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.498 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 23.8 m-20 -93.58 -42.18 9.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.853 0.359 . . . . 0.0 110.895 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.505 ' HD2' ' CE2' ' A' ' 11' ' ' TRP . 6.1 mmp_? -86.02 160.48 19.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.444 ' O ' ' C ' ' A' ' 48' ' ' ALA . 2.3 p -125.17 157.75 35.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.166 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.626 ' HB2' ' HA ' ' A' ' 37' ' ' GLN . . . -34.39 -49.86 0.4 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.085 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.71 -68.96 0.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 71.2 mm-40 -42.7 -35.74 1.22 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.939 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.708 ' O ' HG23 ' A' ' 55' ' ' VAL . 75.7 t -73.23 -39.47 56.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.09 -49.02 77.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 61.0 m -67.48 -43.28 81.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.588 ' NE2' ' CG ' ' A' ' 11' ' ' TRP . 5.4 tp60 -55.34 -37.17 67.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.906 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.708 HG23 ' O ' ' A' ' 51' ' ' VAL . 86.6 t -66.85 -35.38 74.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -63.38 -34.52 77.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.0 mttm -97.37 14.92 24.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.813 ' C ' HD21 ' A' ' 62' ' ' LEU . 3.1 m-30 -115.03 -10.87 12.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.429 ' CD1' ' N ' ' A' ' 59' ' ' PHE . 2.0 m-85 -131.67 -56.14 1.0 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.916 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 59.3 mt -58.83 -37.16 64.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.107 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.444 ' NZ ' ' O ' ' A' ' 70' ' ' SER . 26.8 tttt -67.93 -28.57 67.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.813 HD21 ' C ' ' A' ' 58' ' ' TYR . 0.1 OUTLIER -107.84 45.99 0.98 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.976 179.867 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 58.3 m -91.19 -62.38 1.46 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.47 ' HD3' ' N ' ' A' ' 65' ' ' ALA . 0.9 OUTLIER -121.18 140.65 51.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.94 179.904 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.47 ' N ' ' HD3' ' A' ' 64' ' ' LYS . . . -53.18 -51.15 63.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.094 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 65' ' ' ALA . . . -34.72 -42.88 0.36 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.518 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.654 HG23 ' HD2' ' A' ' 68' ' ' PRO . 24.6 mt -62.69 138.61 96.88 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.6 0.714 . . . . 0.0 111.125 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.654 ' HD2' HG23 ' A' ' 67' ' ' ILE . 53.7 Cg_endo -69.71 122.98 9.66 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.667 2.244 . . . . 0.0 112.333 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 98.2 t -105.1 119.54 54.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.102 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.444 ' O ' ' NZ ' ' A' ' 61' ' ' LYS . 77.5 p -145.08 122.4 11.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.863 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -78.34 153.36 39.1 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.484 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 150.08 67.74 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.703 2.269 . . . . 0.0 112.31 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 63.2 p -70.59 147.21 49.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 13.5 t -131.74 108.59 9.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.898 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.506 -179.965 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 m -112.98 117.51 32.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.881 0.372 . . . . 0.0 110.868 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.9 p -122.2 42.0 3.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.844 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.95 -142.15 17.35 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.5 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.2 p -99.24 102.75 14.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.899 0.38 . . . . 0.0 110.891 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.8 t -159.42 163.4 35.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.898 ' HA3' HD12 ' A' ' 10' ' ' LEU . . . 123.0 125.51 3.05 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.493 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.41 ' CG ' ' OE1' ' A' ' 9' ' ' GLN . 7.9 t-20 -88.28 -63.35 1.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.797 0.332 . . . . 0.0 110.899 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.41 ' OE1' ' CG ' ' A' ' 8' ' ' ASN . 2.9 mp0 -108.69 66.9 0.65 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.898 HD12 ' HA3' ' A' ' 7' ' ' GLY . 11.5 mt -106.71 161.5 14.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.53 ' CH2' ' HG3' ' A' ' 46' ' ' ARG . 11.5 m95 -80.21 144.06 33.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.9 t -95.9 147.65 23.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.52 HG13 ' N ' ' A' ' 14' ' ' GLU . 6.9 p -38.44 -48.97 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.106 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.52 ' N ' HG13 ' A' ' 13' ' ' VAL . 17.1 mm-40 -46.04 -68.48 0.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.684 ' OE2' HD22 ' A' ' 43' ' ' LEU . 8.6 mm-40 -48.84 -54.65 14.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 15' ' ' GLU . 41.2 mt-30 -36.43 -40.45 0.24 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.923 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.7 mtmt -71.63 -65.26 0.78 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.515 ' HG2' HD11 ' A' ' 22' ' ' LEU . 33.2 tttp -42.38 -43.59 3.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.938 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.44 HD22 ' CZ3' ' A' ' 11' ' ' TRP . 39.5 tp -62.29 -46.9 86.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -53.06 -46.23 68.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 -69.21 -51.71 35.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.911 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.515 HD11 ' HG2' ' A' ' 18' ' ' LYS . 10.7 mt -52.04 -48.47 64.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.916 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.683 HD21 HG22 ' A' ' 55' ' ' VAL . 18.9 mt -40.7 -43.59 1.99 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.917 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 18.4 mt -76.37 -44.72 35.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.542 ' HD2' ' CE2' ' A' ' 26' ' ' TYR . 2.8 tmtm? -54.24 -39.41 66.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.582 ' CE1' ' HB3' ' A' ' 38' ' ' LYS . 55.3 m-85 -104.07 94.84 7.08 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.624 0.726 . . . . 0.0 110.873 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 164.44 34.55 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.681 2.254 . . . . 0.0 112.371 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 140.1 41.82 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.619 2.213 . . . . 0.0 112.35 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -133.64 173.31 11.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.662 ' HG3' HG23 ' A' ' 31' ' ' VAL . 6.4 pt-20 -42.77 -49.36 5.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.662 HG23 ' HG3' ' A' ' 30' ' ' GLU . 98.9 t -101.46 107.8 22.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.161 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.497 ' HG2' ' CE2' ' A' ' 36' ' ' TRP . 14.0 tt0 -63.51 -34.52 77.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.3 t -51.23 -60.1 3.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.4 ' H ' HG12 ' A' ' 31' ' ' VAL . 32.9 mtp180 -49.34 -52.4 28.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.864 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 55.5 ttt180 -41.27 -45.35 2.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.522 ' CZ3' HG21 ' A' ' 55' ' ' VAL . 13.7 m95 -69.73 -46.89 64.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.48 ' HA ' ' HB2' ' A' ' 48' ' ' ALA . 19.1 tp60 -52.96 -43.77 66.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.878 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.582 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 42.7 mttm -62.52 -45.99 90.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 59.8 mt -62.1 -42.13 93.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.161 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.573 ' HA ' HD12 ' A' ' 43' ' ' LEU . . . -54.7 -58.9 5.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.164 179.769 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 40' ' ' ALA . 10.1 t0 -34.72 -57.17 0.54 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.837 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -49.66 -56.3 10.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.684 HD22 ' OE2' ' A' ' 15' ' ' GLU . 16.1 mt -51.02 -59.58 4.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.944 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.08 -56.17 0.54 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.489 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 21.4 p-10 -77.4 -53.82 7.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.854 0.359 . . . . 0.0 110.953 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.544 ' HB2' HD13 ' A' ' 43' ' ' LEU . 2.2 mmp_? -67.54 167.33 13.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.491 ' O ' ' N ' ' A' ' 49' ' ' LYS . 10.1 t -140.46 158.6 43.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.113 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.48 ' HB2' ' HA ' ' A' ' 37' ' ' GLN . . . -37.15 -28.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.075 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.491 ' N ' ' O ' ' A' ' 47' ' ' THR . 12.7 tptt -74.76 -71.0 0.37 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.425 ' CD ' ' N ' ' A' ' 50' ' ' GLN . 0.5 OUTLIER -51.08 -36.76 41.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 95.0 t -63.11 -50.43 79.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.123 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.94 -49.86 65.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.083 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 37.4 p -62.61 -28.37 69.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.416 ' O ' ' CD1' ' A' ' 58' ' ' TYR . 20.5 tp60 -76.72 -39.25 52.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.683 HG22 HD21 ' A' ' 23' ' ' LEU . 85.3 t -69.71 -46.18 75.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.483 ' HG3' ' N ' ' A' ' 57' ' ' LYS . 2.6 pt20 -55.14 -37.18 66.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.483 ' N ' ' HG3' ' A' ' 56' ' ' GLN . 58.4 mttt -89.73 19.56 4.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.416 ' CD1' ' O ' ' A' ' 54' ' ' GLN . 2.8 m-30 -116.78 -47.32 2.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.404 ' N ' ' CD1' ' A' ' 59' ' ' PHE . 2.2 m-85 -91.89 -31.7 15.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.886 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 10.6 mt -87.3 -29.34 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.144 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.459 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 25.8 pttt -61.5 -28.6 69.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.477 HD12 ' C ' ' A' ' 62' ' ' LEU . 2.7 pp -86.34 -37.2 18.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.95 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 26.4 m -45.55 128.88 8.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.158 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.0 mtmp? -71.54 -54.13 11.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -74.95 171.33 14.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.121 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 53.34 48.04 60.7 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.477 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 18.7 mm -119.77 127.65 26.29 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.591 0.71 . . . . 0.0 111.119 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 69' ' ' VAL . 54.1 Cg_endo -69.73 107.7 1.91 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.709 2.273 . . . . 0.0 112.369 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.409 ' C ' ' O ' ' A' ' 68' ' ' PRO . 15.0 p -35.17 140.06 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 17.4 m -43.84 147.57 0.46 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.876 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -127.29 152.92 18.9 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.463 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 -17.86 37.13 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.66 2.24 . . . . 0.0 112.321 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 43.5 t -48.73 111.79 0.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.3 t -150.79 177.12 10.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.816 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.496 180.0 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.9 m -126.72 105.73 8.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.888 0.375 . . . . 0.0 110.856 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.7 t -92.67 164.44 13.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.861 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.47 -83.16 0.24 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.51 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.5 p 38.63 42.63 0.61 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.865 0.364 . . . . 0.0 110.823 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.6 p -91.03 128.92 37.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.862 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.59 45.68 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.487 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -42.92 140.14 1.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.813 0.34 . . . . 0.0 110.911 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -117.72 99.17 6.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.2 mp -72.92 158.03 36.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 6.7 m95 -113.46 159.23 19.72 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.495 ' CG2' ' OE2' ' A' ' 15' ' ' GLU . 7.4 t -107.63 142.42 37.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.428 ' C ' ' O ' ' A' ' 12' ' ' THR . 73.1 t -34.21 -52.73 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.163 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -45.51 -60.99 1.87 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.495 ' OE2' ' CG2' ' A' ' 12' ' ' THR . 0.0 OUTLIER -61.6 -50.37 72.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 -179.894 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 15' ' ' GLU . 19.6 mt-30 -36.33 -67.62 0.16 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -66.45 -53.4 35.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 32.1 tttp -39.4 -36.9 0.4 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.6 tp -74.0 -58.94 2.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.953 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.492 ' HA ' HD12 ' A' ' 23' ' ' LEU . 19.5 mt-10 -42.83 -42.96 3.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.836 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -68.45 -47.61 66.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.437 HD13 HG23 ' A' ' 39' ' ' ILE . 49.2 mt -56.55 -43.26 79.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.492 HD12 ' HA ' ' A' ' 20' ' ' GLU . 11.2 mt -48.36 -52.28 22.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.956 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 33.5 mt -62.86 -42.73 97.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.14 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 52.6 tttt -53.68 -56.59 16.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.556 ' CE1' ' HB3' ' A' ' 38' ' ' LYS . 71.5 m-85 -79.89 122.04 82.86 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.673 0.749 . . . . 0.0 110.921 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 160.32 50.14 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.641 2.227 . . . . 0.0 112.317 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 143.06 49.68 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.719 2.279 . . . . 0.0 112.353 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.473 ' OE1' ' N ' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -128.18 -174.27 3.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.9 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -85.2 -33.47 22.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.493 ' O ' ' N ' ' A' ' 33' ' ' SER . 97.4 t -109.47 87.79 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.166 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.523 ' HB2' ' CE2' ' A' ' 36' ' ' TRP . 23.0 pm0 -36.39 -29.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 31' ' ' VAL . 1.1 t -50.47 -70.65 0.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.829 -179.77 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -48.24 -32.38 7.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.853 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 21.6 ttt180 -65.07 -40.71 95.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.774 ' CZ3' HG21 ' A' ' 55' ' ' VAL . 9.7 m95 -74.03 -41.55 61.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 43.9 tp60 -54.89 -51.85 64.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.556 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 32.8 mttm -53.72 -52.77 59.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.87 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.437 HG23 HD13 ' A' ' 22' ' ' LEU . 24.5 mt -58.25 -44.06 87.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.16 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -53.83 -53.3 54.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.102 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -42.45 -53.28 4.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -50.75 -46.36 59.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.618 HD13 ' HB2' ' A' ' 46' ' ' ARG . 19.7 mt -64.19 -42.04 96.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.951 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 81.37 -42.49 2.77 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.502 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -86.34 -45.13 11.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.807 0.337 . . . . 0.0 110.926 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.618 ' HB2' HD13 ' A' ' 43' ' ' LEU . 63.8 mmt-85 -77.89 164.71 24.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.416 ' O ' ' C ' ' A' ' 48' ' ' ALA . 24.9 p -129.16 160.44 32.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 47' ' ' THR . . . -35.74 -56.25 0.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.051 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.49 ' O ' ' N ' ' A' ' 52' ' ' ALA . 8.2 mmmt -54.66 -70.1 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.93 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 49' ' ' LYS . 80.2 mm-40 -38.16 -36.63 0.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.665 ' O ' HG23 ' A' ' 55' ' ' VAL . 85.0 t -75.17 -39.93 43.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.077 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.49 ' N ' ' O ' ' A' ' 49' ' ' LYS . . . -58.78 -53.04 62.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.102 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 21.7 m -57.35 -41.15 79.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.847 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 8.6 tp60 -63.05 -49.9 72.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.774 HG21 ' CZ3' ' A' ' 36' ' ' TRP . 85.7 t -53.3 -34.93 23.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.159 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -56.76 -53.68 55.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.8 mttm -75.0 5.17 5.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -101.39 -33.16 10.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -111.12 -40.97 4.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 49.7 mt -75.26 -33.06 27.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.161 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.424 ' O ' HD13 ' A' ' 67' ' ' ILE . 18.5 tttp -61.22 -52.44 64.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.811 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.581 HD12 ' C ' ' A' ' 62' ' ' LEU . 1.0 OUTLIER -60.87 -32.06 71.5 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.929 179.927 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 27.3 m -58.22 126.66 28.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.175 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.416 ' HA ' ' CG1' ' A' ' 67' ' ' ILE . 53.3 pttt -44.51 -46.4 9.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.64 -38.03 83.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.108 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -100.42 47.2 1.27 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.466 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.424 HD13 ' O ' ' A' ' 61' ' ' LYS . 27.5 mm -94.47 129.45 36.69 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.579 0.704 . . . . 0.0 111.128 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 140.03 41.53 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.674 2.25 . . . . 0.0 112.308 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 92.5 t -60.71 -47.38 93.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.151 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 36.7 m -96.9 164.95 12.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.871 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -119.89 79.32 0.32 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.499 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 144.61 54.53 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.64 2.226 . . . . 0.0 112.352 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 34.3 t 40.35 42.0 1.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.838 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 55.3 p -77.29 101.4 6.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.461 -179.975 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.1 m -67.13 166.01 14.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.857 0.361 . . . . 0.0 110.884 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.5 t -122.56 -53.7 1.89 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.856 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.2 -112.64 3.49 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.493 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.3 m -66.56 156.9 33.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.868 0.366 . . . . 0.0 110.874 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.6 m -131.99 -53.51 0.98 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.866 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.65 -133.1 20.9 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.475 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 22.6 m120 -103.32 -53.97 2.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.729 0.3 . . . . 0.0 110.849 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.2 pm0 -149.12 130.36 14.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.946 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.9 mt -105.64 152.48 23.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.516 ' CH2' ' HG3' ' A' ' 46' ' ' ARG . 12.0 m95 -51.02 151.84 2.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.1 p -88.32 176.37 7.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.126 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.519 HG13 ' N ' ' A' ' 14' ' ' GLU . 7.4 p -63.29 -48.05 89.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.144 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.519 ' N ' HG13 ' A' ' 13' ' ' VAL . 70.6 mt-10 -61.64 -53.38 56.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.894 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.63 -51.51 69.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.872 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -44.07 -69.08 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.425 ' HG3' ' N ' ' A' ' 18' ' ' LYS . 3.7 pttm -52.34 -32.38 37.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.425 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 32.1 tttt -63.78 -43.74 95.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.402 ' HB2' ' CZ3' ' A' ' 11' ' ' TRP . 18.9 tp -58.99 -53.25 60.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.937 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -49.41 -51.25 36.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -59.02 -41.98 89.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.923 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.642 HD13 HG23 ' A' ' 39' ' ' ILE . 21.5 mt -63.03 -50.7 69.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.963 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.493 HD13 ' HE1' ' A' ' 59' ' ' PHE . 29.3 mt -50.28 -47.97 55.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.914 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 20.5 mt -65.47 -42.63 93.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.129 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.8 tttp -58.82 -58.34 9.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -78.19 117.08 63.9 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.668 0.747 . . . . 0.0 110.879 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 150.83 68.61 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.648 2.232 . . . . 0.0 112.347 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 118.11 5.49 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.681 2.254 . . . . 0.0 112.285 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 30' ' ' GLU . 11.8 pt-20 -99.04 165.76 11.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.669 ' HG3' HG23 ' A' ' 31' ' ' VAL . 11.7 pt-20 -37.49 -50.58 1.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.669 HG23 ' HG3' ' A' ' 30' ' ' GLU . 86.9 t -88.46 150.7 3.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.427 ' HG2' ' CZ2' ' A' ' 36' ' ' TRP . 34.9 tt0 -94.66 -35.61 12.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 89.4 p -61.71 -50.92 70.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 74.5 mtt180 -52.75 -48.89 66.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.873 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -45.19 -43.35 10.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.827 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.427 ' CZ2' ' HG2' ' A' ' 32' ' ' GLU . 6.4 m95 -69.9 -36.2 75.22 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.948 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -58.3 -49.33 77.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 36.6 mttm -59.22 -44.9 92.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.845 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.642 HG23 HD13 ' A' ' 22' ' ' LEU . 29.6 mt -61.67 -55.58 23.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.12 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.427 ' O ' ' C ' ' A' ' 41' ' ' ASP . . . -45.67 -52.0 11.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.11 179.8 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 40' ' ' ALA . 13.8 t0 -36.02 -56.07 0.74 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -53.9 -56.62 16.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.453 HD13 ' HB2' ' A' ' 46' ' ' ARG . 20.6 mt -51.35 -54.81 22.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 90.21 -45.2 2.97 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.483 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -78.8 -45.66 20.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.839 0.352 . . . . 0.0 110.869 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.516 ' HG3' ' CH2' ' A' ' 11' ' ' TRP . 51.2 mmt-85 -81.06 171.83 14.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.582 ' O ' HG23 ' A' ' 51' ' ' VAL . 42.0 p -138.71 158.24 44.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.152 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' A' ' 47' ' ' THR . . . -34.21 -53.55 0.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.071 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.408 ' O ' ' N ' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -58.28 -70.23 0.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.899 179.94 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -42.08 -31.89 0.41 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.979 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.715 ' O ' HG23 ' A' ' 55' ' ' VAL . 93.1 t -75.4 -40.05 41.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.126 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 49' ' ' LYS . . . -57.12 -49.0 77.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.085 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.1 t -55.3 -46.62 76.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.527 ' HG3' ' CE1' ' A' ' 58' ' ' TYR . 7.7 tp60 -61.64 -46.84 88.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.894 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.715 HG23 ' O ' ' A' ' 51' ' ' VAL . 96.7 t -51.22 -41.06 23.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.111 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -55.01 -48.29 73.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.0 mttp -84.39 27.46 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.917 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.527 ' CE1' ' HG3' ' A' ' 54' ' ' GLN . 4.2 m-85 -127.68 -31.85 2.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.493 ' HE1' HD13 ' A' ' 23' ' ' LEU . 2.3 m-85 -113.57 -43.12 3.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 75.9 mt -71.76 -38.85 67.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.135 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 53.0 tttt -52.19 -43.07 63.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.2 mt -62.7 -41.71 99.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.851 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 78.5 m -62.04 -58.4 7.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.134 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.421 ' NZ ' ' HA ' ' A' ' 64' ' ' LYS . 0.6 OUTLIER 43.45 49.58 6.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 179.866 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 67' ' ' ILE . . . -106.93 -174.83 2.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.162 179.807 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.458 ' O ' ' C ' ' A' ' 67' ' ' ILE . . . -38.39 -25.68 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.45 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.499 ' N ' ' O ' ' A' ' 65' ' ' ALA . 39.6 mt -33.61 132.82 0.36 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.613 0.721 . . . . 0.0 111.129 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 175.97 7.41 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.723 2.282 . . . . 0.0 112.303 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.503 ' O ' HG13 ' A' ' 69' ' ' VAL . 8.5 p -125.05 117.79 51.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 55.7 m -104.66 150.85 24.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.831 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -98.47 145.38 17.72 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.443 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -42.77 3.1 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.644 2.229 . . . . 0.0 112.348 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.2 t -45.14 -69.88 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.2 p -127.41 -37.7 2.0 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.884 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.461 179.971 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.8 t -100.61 42.09 1.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.882 0.372 . . . . 0.0 110.895 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.0 m 45.71 42.23 8.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.916 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.49 134.2 2.38 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.507 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 t -126.79 -39.77 1.95 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.879 0.371 . . . . 0.0 110.87 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.8 t 63.07 43.49 6.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.3 48.34 0.65 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.499 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -172.93 166.04 5.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.799 0.333 . . . . 0.0 110.86 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -73.71 86.13 1.66 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.4 mt -97.14 169.15 10.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.965 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.532 ' CZ2' ' HG2' ' A' ' 54' ' ' GLN . 8.2 m95 -79.62 143.61 34.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 13' ' ' VAL . 10.0 t -96.2 141.86 29.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.152 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.445 ' C ' ' O ' ' A' ' 12' ' ' THR . 90.5 t -33.73 -72.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.106 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.457 ' HA ' ' CE ' ' A' ' 17' ' ' LYS . 19.5 pt-20 -34.03 -45.02 0.19 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.432 ' H ' HG23 ' A' ' 12' ' ' THR . 0.1 OUTLIER -70.64 -49.63 45.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.93 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -42.82 -56.28 3.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.87 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.457 ' CE ' ' HA ' ' A' ' 14' ' ' GLU . 29.5 pttt -70.95 -46.76 61.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.456 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 33.1 tttp -46.3 -44.04 16.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.426 HD22 ' CH2' ' A' ' 11' ' ' TRP . 13.7 tp -63.92 -49.18 73.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -50.93 -43.42 60.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -66.67 -57.91 6.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 23' ' ' LEU . 10.1 mt -46.23 -52.55 12.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.52 HD21 HG22 ' A' ' 55' ' ' VAL . 28.8 mt -37.36 -46.0 0.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 26.3 mt -79.65 -39.58 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.164 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.9 tttm -50.56 -53.96 26.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.501 ' CE1' ' HB3' ' A' ' 38' ' ' LYS . 79.4 m-85 -86.4 122.11 72.18 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.692 0.758 . . . . 0.0 110.915 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 168.24 22.08 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.688 2.258 . . . . 0.0 112.343 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 164.52 34.2 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.669 2.246 . . . . 0.0 112.374 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.464 ' OE1' ' C ' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -146.43 -174.98 4.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -82.54 -32.52 28.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.464 ' C ' ' OE1' ' A' ' 29' ' ' GLU . 39.1 t -108.36 92.17 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.126 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.519 ' HG2' ' CZ2' ' A' ' 36' ' ' TRP . 19.0 tt0 -40.88 -27.48 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 31' ' ' VAL . 2.6 m -65.74 -67.77 0.42 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -42.97 -32.55 0.66 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.415 ' HB2' ' CG ' ' A' ' 29' ' ' GLU . 50.1 ttt180 -59.04 -57.7 11.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.841 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.549 ' CZ3' HG21 ' A' ' 55' ' ' VAL . 10.8 m95 -53.69 -32.78 53.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.449 ' HG2' ' HB2' ' A' ' 48' ' ' ALA . 2.6 mm100 -61.96 -49.63 75.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.925 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.501 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 45.9 mttt -56.03 -41.32 74.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 22.7 mt -70.13 -55.33 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.46 -50.1 32.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.077 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -43.38 -49.52 6.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -58.19 -45.92 86.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.516 HD13 ' HB2' ' A' ' 46' ' ' ARG . 9.9 mt -60.24 -46.31 90.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 80.98 -38.8 2.39 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.484 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -85.62 -38.29 18.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.837 0.351 . . . . 0.0 110.896 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.516 ' HB2' HD13 ' A' ' 43' ' ' LEU . 15.9 mmt-85 -89.01 176.02 7.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.834 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.44 ' OG1' ' NE2' ' A' ' 50' ' ' GLN . 57.9 p -137.81 160.65 38.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.449 ' HB2' ' HG2' ' A' ' 37' ' ' GLN . . . -43.36 -36.46 1.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.116 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -72.24 -66.18 0.68 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.478 ' OE1' ' N ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -42.22 -38.12 1.67 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.456 ' O ' HG23 ' A' ' 55' ' ' VAL . 93.7 t -72.41 -39.37 62.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.109 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.4 -45.16 69.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.064 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 71.4 m -74.7 -29.72 61.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.532 ' HG2' ' CZ2' ' A' ' 11' ' ' TRP . 7.9 tp60 -71.44 -37.08 71.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.927 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.549 HG21 ' CZ3' ' A' ' 36' ' ' TRP . 78.8 t -69.56 -50.27 52.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.081 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.692 ' HB2' HD12 ' A' ' 60' ' ' ILE . 6.1 pt20 -54.15 -34.12 59.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.461 ' N ' ' HG3' ' A' ' 56' ' ' GLN . 48.7 mttp -89.62 15.85 8.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.404 ' CD1' ' O ' ' A' ' 54' ' ' GLN . 2.7 m-85 -118.85 -25.78 6.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.931 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.423 ' CD1' ' N ' ' A' ' 59' ' ' PHE . 2.1 m-85 -116.98 -40.59 3.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.885 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.692 HD12 ' HB2' ' A' ' 56' ' ' GLN . 11.2 mt -79.63 -22.63 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.119 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 63' ' ' THR . 62.8 tttp -79.6 -54.35 5.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.735 HD12 ' C ' ' A' ' 62' ' ' LEU . 1.4 pp -36.43 -33.39 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.881 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.591 ' N ' HD12 ' A' ' 62' ' ' LEU . 5.0 t -40.58 149.55 0.08 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.144 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.0 mmmm -45.55 148.32 0.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -80.56 41.97 0.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.113 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -123.43 43.25 1.46 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.5 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.56 HG23 ' HD2' ' A' ' 68' ' ' PRO . 62.1 mt -142.16 136.56 15.04 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.626 0.727 . . . . 0.0 111.137 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.56 ' HD2' HG23 ' A' ' 67' ' ' ILE . 53.2 Cg_endo -69.79 162.99 39.98 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.666 2.244 . . . . 0.0 112.349 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 93.5 t -147.56 144.82 19.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 24.9 p -140.29 167.25 22.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -140.17 86.95 0.2 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.499 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -13.3 34.49 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.728 2.285 . . . . 0.0 112.297 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 32.2 m -45.91 129.61 9.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 34.0 p -172.22 147.58 2.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.829 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.45 179.94 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.6 m -112.77 137.55 50.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.837 0.351 . . . . 0.0 110.881 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.2 m -131.88 169.08 16.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.19 71.99 1.22 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.479 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 t -124.22 -44.46 2.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.899 0.38 . . . . 0.0 110.882 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.9 t -41.36 141.45 0.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.4 98.54 0.94 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.439 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -81.99 44.71 0.86 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.8 0.333 . . . . 0.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -128.99 96.65 4.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.636 ' H ' HD13 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -83.06 169.74 15.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.934 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.532 ' CH2' ' HG3' ' A' ' 46' ' ' ARG . 11.5 m95 -90.37 139.7 30.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.826 HG22 ' OE1' ' A' ' 15' ' ' GLU . 8.9 t -83.49 140.69 32.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.133 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.448 ' C ' ' O ' ' A' ' 12' ' ' THR . 95.1 t -33.99 -48.85 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.427 ' HA ' ' HZ2' ' A' ' 17' ' ' LYS . 48.8 mm-40 -54.71 -52.48 62.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.826 ' OE1' HG22 ' A' ' 12' ' ' THR . 64.5 mt-10 -64.85 -50.62 65.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -42.95 -69.33 0.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.914 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.467 ' HG3' ' N ' ' A' ' 18' ' ' LYS . 16.4 pttp -57.41 -45.45 84.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.467 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 15.6 tttp -46.4 -62.11 1.5 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.3 tp -45.81 -55.97 5.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -38.82 -44.73 1.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 44.2 mm-40 -69.45 -51.5 35.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.463 HD13 HG23 ' A' ' 39' ' ' ILE . 78.5 mt -51.38 -44.8 62.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.932 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.0 mt -49.17 -46.4 45.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.942 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 32.2 mt -64.33 -47.0 91.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.121 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.6 tttp -59.43 -40.49 86.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.569 ' CE1' ' HB3' ' A' ' 38' ' ' LYS . 52.9 m-85 -104.93 92.18 5.03 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.613 0.721 . . . . 0.0 110.924 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 167.35 24.73 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.666 2.244 . . . . 0.0 112.321 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 145.68 57.9 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.678 2.252 . . . . 0.0 112.316 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -137.09 -175.72 4.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.5 ' HG3' HG23 ' A' ' 31' ' ' VAL . 8.2 pt-20 -53.78 -42.54 68.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.847 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.5 HG23 ' HG3' ' A' ' 30' ' ' GLU . 43.2 t -108.9 107.39 22.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.091 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -64.2 -34.87 79.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 58.3 m -51.92 -57.65 8.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.893 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 29.4 mtt-85 -52.48 -51.56 58.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.918 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 45.3 ttt180 -40.84 -55.49 2.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.847 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.559 ' CZ3' HG21 ' A' ' 55' ' ' VAL . 8.0 m95 -55.48 -50.16 70.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 11.1 tp60 -47.13 -44.67 21.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.928 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.569 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 54.5 mttm -60.21 -48.86 79.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.463 HG23 HD13 ' A' ' 22' ' ' LEU . 42.2 mt -60.89 -50.22 81.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.16 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 41' ' ' ASP . . . -50.77 -58.2 6.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 179.778 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 40' ' ' ALA . 13.4 t0 -35.34 -51.78 0.6 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -57.75 -54.01 51.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.3 mt -54.65 -49.86 69.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.909 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 82.77 -51.29 4.53 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.476 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -68.65 -42.63 77.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.818 0.342 . . . . 0.0 110.855 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.532 ' HG3' ' CH2' ' A' ' 11' ' ' TRP . 79.4 mmt-85 -89.8 172.25 9.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.449 ' O ' ' C ' ' A' ' 48' ' ' ALA . 32.0 p -130.23 156.73 44.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.144 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 47' ' ' THR . . . -34.08 -57.81 0.47 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.069 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.401 ' HD3' ' C ' ' A' ' 49' ' ' LYS . 0.3 OUTLIER -50.78 -66.49 0.38 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.876 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -40.54 -50.53 2.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.771 ' O ' HG23 ' A' ' 55' ' ' VAL . 80.3 t -54.22 -45.42 67.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.155 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.04 -48.24 73.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.071 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.2 m -57.92 -42.2 84.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.828 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -68.08 -40.74 82.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.771 HG23 ' O ' ' A' ' 51' ' ' VAL . 96.2 t -54.13 -37.62 35.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.113 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -58.15 -46.23 86.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -81.49 16.08 1.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 2.8 m-30 -116.0 -26.24 7.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.97 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.477 ' O ' ' CD1' ' A' ' 62' ' ' LEU . 3.0 m-85 -117.95 -26.62 6.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.913 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 36.1 mt -96.24 -17.73 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.084 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.2 ttpp -87.31 -41.51 13.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.885 HD22 ' O ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -74.23 4.14 6.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.955 179.897 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.483 ' N ' HD13 ' A' ' 62' ' ' LEU . 12.3 t -57.67 162.97 2.74 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.202 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 21.2 pttm -66.09 154.47 39.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.912 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -89.71 -25.85 20.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.107 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -41.39 -34.32 1.03 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.487 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.682 HG23 ' HD2' ' A' ' 68' ' ' PRO . 71.5 mt -41.52 138.68 1.58 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.632 0.729 . . . . 0.0 111.125 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.682 ' HD2' HG23 ' A' ' 67' ' ' ILE . 53.8 Cg_endo -69.77 149.4 66.77 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.725 2.283 . . . . 0.0 112.327 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.759 ' O ' HG13 ' A' ' 69' ' ' VAL . 3.2 p 29.57 39.93 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.504 ' N ' ' O ' ' A' ' 68' ' ' PRO . 3.4 m -34.45 150.79 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.907 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 70' ' ' SER . . . -32.88 96.36 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.498 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.432 ' N ' ' O ' ' A' ' 70' ' ' SER . 53.6 Cg_endo -69.81 -177.32 1.84 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.624 2.216 . . . . 0.0 112.336 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 94.1 p -109.39 170.28 8.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.8 t -88.26 163.04 16.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.852 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.51 179.951 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.3 t -169.31 159.04 8.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.85 0.357 . . . . 0.0 110.834 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.0 m -140.81 131.44 25.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.62 140.81 24.5 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.51 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.3 m -92.86 -57.57 2.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.843 0.354 . . . . 0.0 110.834 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.4 t -132.72 123.2 25.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.844 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.22 105.37 1.96 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.477 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -154.71 111.11 3.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.725 0.297 . . . . 0.0 110.894 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -97.48 118.38 33.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.949 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.7 mt -71.34 161.76 30.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.561 ' CZ2' ' HD2' ' A' ' 46' ' ' ARG . 14.2 m95 -111.01 166.17 11.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.913 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.465 ' O ' ' C ' ' A' ' 13' ' ' VAL . 3.3 t -110.37 142.61 41.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.115 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.465 ' C ' ' O ' ' A' ' 12' ' ' THR . 69.9 t -32.87 -58.03 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.124 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -40.38 -66.64 0.3 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -58.25 -48.8 79.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -40.08 -68.47 0.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.5 -39.32 94.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.941 ' HD2' HD23 ' A' ' 43' ' ' LEU . 6.0 tmtm? -58.49 -27.27 64.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.877 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 20.4 tp -82.93 -51.66 7.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -40.9 -42.51 1.86 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -66.85 -54.0 26.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.471 HD12 ' HD3' ' A' ' 18' ' ' LYS . 10.3 mt -54.15 -48.71 70.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.738 HD21 HG22 ' A' ' 55' ' ' VAL . 7.4 mt -39.94 -47.79 2.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 18.2 mt -69.8 -46.97 72.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.14 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.58 ' HD2' ' CE2' ' A' ' 26' ' ' TYR . 1.8 tmtm? -50.92 -50.54 57.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.58 ' CE2' ' HD2' ' A' ' 25' ' ' LYS . 59.9 m-85 -92.42 106.96 20.29 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.72 0.771 . . . . 0.0 110.924 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 160.39 49.88 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.68 2.253 . . . . 0.0 112.344 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 152.3 69.35 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.705 2.27 . . . . 0.0 112.37 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.449 ' O ' ' C ' ' A' ' 30' ' ' GLU . 14.9 pt-20 -144.55 155.36 43.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 29' ' ' GLU . 1.7 tm-20 -34.43 -50.27 0.42 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.908 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.4 HG12 ' HB3' ' A' ' 33' ' ' SER . 45.7 t -100.58 94.41 3.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.122 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.494 ' HB2' ' CE2' ' A' ' 36' ' ' TRP . 6.2 pt-20 -50.27 -37.3 35.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.4 ' HB3' HG12 ' A' ' 31' ' ' VAL . 33.5 t -44.4 -54.11 6.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.853 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 51.6 mtt-85 -52.78 -45.09 67.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.834 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.499 HH21 HD23 ' A' ' 23' ' ' LEU . 61.2 ttt180 -55.95 -60.67 3.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.826 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.978 ' CZ3' HG21 ' A' ' 55' ' ' VAL . 5.5 m95 -50.61 -37.45 40.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.938 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 55.3 tp60 -61.47 -45.04 95.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.535 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 65.1 mttt -60.1 -47.52 85.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.434 HG23 HD13 ' A' ' 22' ' ' LEU . 25.2 mt -65.28 -52.42 52.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.172 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -43.04 -43.72 4.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.096 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -53.75 -50.65 65.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -60.91 -48.79 80.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.941 HD23 ' HD2' ' A' ' 18' ' ' LYS . 10.3 mt -55.9 -45.37 78.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 77.47 -50.13 3.14 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.507 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 54.3 m-20 -73.5 -46.17 49.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.829 0.347 . . . . 0.0 110.868 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.561 ' HD2' ' CZ2' ' A' ' 11' ' ' TRP . 8.4 mmt180 -90.66 151.11 21.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.493 HG22 ' HG2' ' A' ' 50' ' ' GLN . 1.6 t -107.23 163.61 12.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.127 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -37.69 -49.65 1.15 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.045 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -53.84 -69.46 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.917 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.493 ' HG2' HG22 ' A' ' 47' ' ' THR . 5.9 mm100 -40.42 -40.08 1.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.809 ' O ' HG23 ' A' ' 55' ' ' VAL . 93.1 t -67.94 -39.65 82.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.152 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 49' ' ' LYS . . . -58.56 -57.67 11.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.059 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 47.7 m -61.78 -38.21 87.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.493 ' CD ' ' CE1' ' A' ' 58' ' ' TYR . 4.0 tp-100 -61.76 -47.48 84.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.915 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.978 HG21 ' CZ3' ' A' ' 36' ' ' TRP . 98.5 t -57.08 -35.89 49.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.158 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -58.34 -51.24 70.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 46.2 mtpt -78.63 10.17 3.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.493 ' CE1' ' CD ' ' A' ' 54' ' ' GLN . 2.7 m-85 -105.16 -32.48 8.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.409 ' CD1' ' N ' ' A' ' 59' ' ' PHE . 2.3 m-85 -110.5 -38.78 5.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.869 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 61.3 mt -68.88 -29.63 44.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.131 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 44.5 tttp -68.7 -34.79 76.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.552 ' O ' HD12 ' A' ' 62' ' ' LEU . 3.5 pp -88.19 33.35 0.74 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.474 HG22 HD11 ' A' ' 67' ' ' ILE . 8.2 t -87.54 167.95 13.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.166 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.9 mtpp -41.88 161.56 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.895 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -43.7 155.39 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.089 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 112.87 44.39 0.82 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.508 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.613 HG23 ' HD2' ' A' ' 68' ' ' PRO . 39.0 mm -117.76 137.83 24.69 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.597 0.713 . . . . 0.0 111.133 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.613 ' HD2' HG23 ' A' ' 67' ' ' ILE . 53.8 Cg_endo -69.78 159.35 53.71 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.708 2.272 . . . . 0.0 112.347 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 60.4 t -114.63 -60.56 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.175 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 10.7 t 39.61 47.16 1.63 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.899 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -172.52 145.02 8.28 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.513 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 157.72 59.41 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.68 2.253 . . . . 0.0 112.336 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.2 t -107.99 162.79 13.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.925 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 70.1 m -129.95 -59.43 1.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.864 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.44 179.978 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.2 p -112.04 115.25 28.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.888 0.375 . . . . 0.0 110.877 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -140.49 169.04 18.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.25 156.86 38.04 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.466 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.5 p -135.63 130.59 34.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.846 0.355 . . . . 0.0 110.895 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.1 t -139.82 117.03 11.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.03 172.12 21.53 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.48 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 21.3 m120 -117.97 147.34 43.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.734 0.302 . . . . 0.0 110.867 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 57.75 46.38 17.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.52 158.33 21.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.924 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.534 ' NE1' ' NH1' ' A' ' 46' ' ' ARG . 31.1 m95 -64.0 145.8 55.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.435 ' O ' ' N ' ' A' ' 15' ' ' GLU . 9.5 t -111.92 145.18 40.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.117 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.417 ' C ' ' O ' ' A' ' 12' ' ' THR . 14.5 p -36.65 -37.1 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.11 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -57.43 -46.56 83.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.922 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.446 ' HB3' ' CZ3' ' A' ' 11' ' ' TRP . 10.2 mm-40 -80.61 -38.37 29.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -53.6 -44.69 69.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.6 ptmt -78.45 -47.42 17.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 51.5 tttt -53.65 -58.65 6.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 22.1 tp -46.95 -53.83 11.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -41.2 -44.45 2.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.89 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 65.6 mm-40 -66.96 -43.63 82.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 23' ' ' LEU . 9.9 mt -63.02 -55.36 26.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.488 HD21 HG22 ' A' ' 55' ' ' VAL . 11.2 mt -38.31 -47.34 1.2 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 47.0 mt -71.12 -49.87 45.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.166 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.54 ' HD3' ' CE2' ' A' ' 26' ' ' TYR . 26.5 tttp -49.62 -43.62 46.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.54 ' CE2' ' HD3' ' A' ' 25' ' ' LYS . 72.4 m-85 -100.11 100.57 11.9 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.678 0.752 . . . . 0.0 110.91 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 167.05 25.53 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.709 2.273 . . . . 0.0 112.336 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 124.96 11.57 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.67 2.247 . . . . 0.0 112.342 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.451 ' O ' ' C ' ' A' ' 30' ' ' GLU . 6.5 pt-20 -119.97 159.51 24.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.681 ' HG3' HG23 ' A' ' 31' ' ' VAL . 13.2 pt-20 -34.33 -50.26 0.41 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.896 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.681 HG23 ' HG3' ' A' ' 30' ' ' GLU . 85.2 t -92.63 135.28 28.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.12 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.52 ' HG2' ' CE2' ' A' ' 36' ' ' TRP . 7.9 tt0 -92.81 -32.2 14.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.0 t -57.96 -63.59 1.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.473 ' HG3' ' N ' ' A' ' 35' ' ' ARG . 14.1 ptp180 -49.3 -39.98 33.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.473 ' N ' ' HG3' ' A' ' 34' ' ' ARG . 63.9 ttt180 -54.51 -42.46 70.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.776 ' CZ3' HG21 ' A' ' 55' ' ' VAL . 13.8 m95 -74.61 -35.81 62.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.482 ' HA ' ' HB2' ' A' ' 48' ' ' ALA . 3.9 tp-100 -57.94 -38.02 75.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.928 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 40.6 mttt -69.31 -61.45 1.78 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 53.3 mt -45.77 -47.88 4.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.115 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.516 ' HB1' ' HA ' ' A' ' 47' ' ' THR . . . -63.43 -69.18 0.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.161 179.803 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -44.13 -28.03 0.45 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -71.36 -41.54 69.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.493 HD13 ' HB2' ' A' ' 46' ' ' ARG . 10.5 mt -62.58 -57.25 11.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 116.96 -29.26 6.91 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.5 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -108.65 -56.67 2.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.819 0.342 . . . . 0.0 110.875 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.534 ' NH1' ' NE1' ' A' ' 11' ' ' TRP . 7.8 mmt180 -60.57 170.67 1.33 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.516 ' HA ' ' HB1' ' A' ' 40' ' ' ALA . 7.1 p -134.47 156.06 49.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.125 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.482 ' HB2' ' HA ' ' A' ' 37' ' ' GLN . . . -36.19 -42.53 0.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 179.791 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 50' ' ' GLN . 3.3 tmtm? -64.12 -69.92 0.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.943 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 49' ' ' LYS . 35.1 mm-40 -36.96 -44.27 0.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.907 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.708 ' O ' HG23 ' A' ' 55' ' ' VAL . 98.8 t -59.52 -53.68 44.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -47.51 -62.15 1.58 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.142 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 86.9 p -47.41 -52.69 16.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.837 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 57' ' ' LYS . 3.8 tp-100 -54.48 -56.33 19.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.929 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.776 HG21 ' CZ3' ' A' ' 36' ' ' TRP . 96.8 t -36.74 -53.32 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.111 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.43 ' HB3' HD12 ' A' ' 60' ' ' ILE . 94.4 mt-30 -57.47 -40.33 78.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 54' ' ' GLN . 14.5 mmtt -77.15 8.73 3.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.424 ' CE1' ' CD ' ' A' ' 54' ' ' GLN . 3.5 m-30 -115.32 -48.52 2.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.445 ' HE1' HD13 ' A' ' 23' ' ' LEU . 2.3 m-85 -91.62 -50.95 5.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.897 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.433 ' O ' HG22 ' A' ' 63' ' ' THR . 12.6 mt -69.02 -36.45 73.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.143 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.439 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 1.0 OUTLIER -49.53 -27.89 4.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 179.882 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.439 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 76.2 mt -54.12 -32.24 54.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.433 HG22 ' O ' ' A' ' 60' ' ' ILE . 12.0 t -42.26 -23.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.131 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 62' ' ' LEU . 31.3 mtmt 53.07 45.53 28.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.505 ' O ' HD12 ' A' ' 67' ' ' ILE . . . -149.41 129.92 13.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.098 179.796 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.78 -38.68 3.15 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.507 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.811 HD12 ' H ' ' A' ' 67' ' ' ILE . 5.1 mp -47.82 135.32 10.93 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.592 0.711 . . . . 0.0 111.141 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.529 ' HD2' HG23 ' A' ' 67' ' ' ILE . 54.1 Cg_endo -69.76 120.16 6.99 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.709 2.272 . . . . 0.0 112.355 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.41 ' C ' ' O ' ' A' ' 68' ' ' PRO . 85.1 t -37.37 143.22 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.131 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 27.4 m -138.89 157.79 45.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -91.27 147.17 18.71 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.451 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 129.69 18.02 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.651 2.234 . . . . 0.0 112.373 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.0 t -48.13 144.12 3.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.9 m -104.58 134.1 48.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.838 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.508 179.988 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -47.01 130.61 12.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.919 0.39 . . . . 0.0 110.847 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 t -166.9 170.42 12.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.49 107.54 0.32 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.44 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.3 m -88.0 79.75 7.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.904 0.383 . . . . 0.0 110.85 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.1 t -167.73 123.79 1.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.39 170.62 12.57 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.421 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -127.64 157.78 39.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.75 0.309 . . . . 0.0 110.902 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 43.64 47.67 6.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 1.061 HD12 ' N ' ' A' ' 11' ' ' TRP . 0.8 OUTLIER -106.7 135.27 48.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 1.061 ' N ' HD12 ' A' ' 10' ' ' LEU . 49.3 m95 -34.05 134.49 0.18 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.449 ' O ' ' C ' ' A' ' 13' ' ' VAL . 10.8 t -98.68 148.48 23.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.179 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.449 ' C ' ' O ' ' A' ' 12' ' ' THR . 74.5 t -33.93 -55.19 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.162 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -46.11 -57.83 4.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.917 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.467 ' N ' ' OE1' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -61.81 -53.24 58.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.925 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -37.25 -69.48 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 30.6 pttt -58.11 -45.19 87.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.943 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 31.3 tttt -47.58 -40.6 19.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 22' ' ' LEU . 13.9 tp -69.69 -61.45 1.78 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.948 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 19' ' ' LEU . 15.1 mt-10 -34.67 -39.17 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 -74.97 -44.7 46.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.936 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' ' 19' ' ' LEU . 13.6 mt -59.37 -39.03 81.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.944 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 44.0 mt -49.77 -49.61 47.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 47.7 mt -64.76 -47.12 89.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.089 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.5 ttmt -56.19 -42.66 77.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.531 ' CE1' ' HB3' ' A' ' 38' ' ' LYS . 52.7 m-85 -104.82 92.47 5.19 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.638 0.733 . . . . 0.0 110.933 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 166.18 28.46 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.651 2.234 . . . . 0.0 112.319 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 152.64 69.23 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.632 2.221 . . . . 0.0 112.381 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 30' ' ' GLU . 2.6 pt-20 -146.89 172.91 12.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 29' ' ' GLU . 9.7 tt0 -37.95 -46.53 0.99 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 94.3 t -115.86 115.41 49.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.102 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.423 ' O ' ' CD1' ' A' ' 36' ' ' TRP . 18.4 pm0 -73.72 -25.24 60.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.2 m -53.33 -54.98 28.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -61.95 -37.9 86.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.873 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 40.2 ttt180 -54.44 -50.09 68.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.612 ' CZ3' HG21 ' A' ' 55' ' ' VAL . 12.8 m95 -60.96 -37.34 82.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.957 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -58.34 -42.72 87.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.531 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 31.0 mttm -62.64 -44.75 95.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.474 HG23 HD13 ' A' ' 22' ' ' LEU . 23.9 mt -65.04 -50.9 72.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.116 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.629 ' HB1' ' O ' ' A' ' 46' ' ' ARG . . . -51.68 -56.71 12.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.148 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -47.45 -35.74 8.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.913 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -71.88 -48.47 45.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.404 HD13 ' CB ' ' A' ' 46' ' ' ARG . 3.7 mt -49.29 -38.28 26.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 121.7 -70.84 0.4 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.487 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -103.39 -40.75 6.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.814 0.34 . . . . 0.0 110.866 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.629 ' O ' ' HB1' ' A' ' 40' ' ' ALA . 9.9 mmt-85 -46.97 142.63 3.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.5 ' HA ' ' HB1' ' A' ' 40' ' ' ALA . 1.8 t -112.56 163.59 14.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.146 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -42.36 -38.11 1.75 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.104 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -60.91 -71.28 0.14 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.496 ' CB ' ' CD ' ' A' ' 46' ' ' ARG . 6.4 mm100 -36.89 -46.33 0.62 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.928 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.876 ' O ' HG23 ' A' ' 55' ' ' VAL . 96.7 t -66.03 -41.94 90.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 49' ' ' LYS . . . -58.22 -56.01 27.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.059 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 74.8 m -58.07 -46.74 84.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.482 ' NE2' ' CD1' ' A' ' 11' ' ' TRP . 5.9 tp60 -55.62 -50.73 69.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.876 HG23 ' O ' ' A' ' 51' ' ' VAL . 86.6 t -50.2 -30.75 7.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.112 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -63.97 -54.35 35.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.904 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.4 ptpt -72.03 0.57 9.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 4.1 m-30 -102.28 -34.75 9.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.455 ' O ' HD12 ' A' ' 62' ' ' LEU . 2.7 m-85 -110.61 -61.46 1.67 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.863 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 53.1 mt -51.49 -46.88 36.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.149 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 62' ' ' LEU . 50.8 tttt -39.65 -41.59 1.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.789 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.455 HD12 ' O ' ' A' ' 59' ' ' PHE . 19.4 mt -36.28 -47.86 0.61 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.427 ' C ' ' O ' ' A' ' 62' ' ' LEU . 15.1 t -34.85 149.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.109 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.3 mtmm -125.34 48.14 2.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -140.36 145.6 37.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.093 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 61.54 31.13 76.53 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.449 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.674 HG23 ' HD2' ' A' ' 68' ' ' PRO . 86.7 mt -131.55 138.64 33.13 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.62 0.724 . . . . 0.0 111.097 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.674 ' HD2' HG23 ' A' ' 67' ' ' ILE . 53.8 Cg_endo -69.79 118.03 5.44 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.691 2.26 . . . . 0.0 112.328 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.551 HG13 ' HA3' ' A' ' 75' ' ' GLY . 94.1 t -46.2 133.07 2.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.132 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 11.8 t -153.85 132.33 12.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 81.61 146.4 5.36 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.467 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 -15.85 36.98 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.683 2.255 . . . . 0.0 112.305 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.2 m -73.92 -71.97 0.3 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.896 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 92.7 p -62.39 -56.7 15.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.551 ' HA3' HG13 ' A' ' 69' ' ' VAL . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.471 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.1 m -116.85 175.44 5.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.876 0.369 . . . . 0.0 110.873 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.1 p -102.77 174.59 5.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.887 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.03 130.02 10.62 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.511 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.5 t -163.9 147.95 10.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.908 0.385 . . . . 0.0 110.842 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.6 m -70.14 143.79 52.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.863 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.86 -119.77 5.86 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.484 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 68.5 40.29 1.97 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.784 0.326 . . . . 0.0 110.903 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -87.9 41.75 1.01 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.6 mt -102.35 159.44 15.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.569 ' CE3' ' HB3' ' A' ' 15' ' ' GLU . 19.7 m95 -39.28 137.64 0.73 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.511 HG22 ' CD ' ' A' ' 15' ' ' GLU . 11.8 t -95.37 169.76 9.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.171 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.47 HG13 ' N ' ' A' ' 14' ' ' GLU . 7.0 p -51.56 -45.33 35.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.149 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.47 ' N ' HG13 ' A' ' 13' ' ' VAL . 16.0 mm-40 -55.09 -63.35 1.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.569 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 1.1 mp0 -53.77 -48.89 69.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -38.71 -67.31 0.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.66 -33.07 72.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.753 ' HG2' HD23 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -61.77 -31.61 71.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.876 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.2 tp -89.14 -43.7 10.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -55.29 -42.51 73.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -67.07 -50.31 62.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 47.2 mt -58.65 -43.41 89.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 46.0 mt -47.99 -42.37 27.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 23.5 mt -65.85 -52.3 51.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.099 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.4 tttp -55.57 -37.91 68.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.574 ' CE1' ' HB3' ' A' ' 38' ' ' LYS . 51.8 m-85 -104.51 93.15 5.56 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.714 0.769 . . . . 0.0 110.931 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 26' ' ' TYR . 54.1 Cg_endo -69.67 163.03 39.73 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.7 2.267 . . . . 0.0 112.364 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 125.19 11.86 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.685 2.256 . . . . 0.0 112.345 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.402 ' OE2' ' O ' ' A' ' 27' ' ' PRO . 2.1 pm0 -113.36 -174.86 2.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -48.61 -49.73 35.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.878 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.577 HG11 ' HD2' ' A' ' 34' ' ' ARG . 18.6 t -109.07 151.46 11.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.162 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.594 ' O ' ' CD1' ' A' ' 36' ' ' TRP . 12.5 pt-20 -99.84 -30.52 11.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 40.9 t -48.84 -66.8 0.34 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.839 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.577 ' HD2' HG11 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -55.44 -42.33 74.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 55.6 ttt180 -52.9 -37.69 60.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.841 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.594 ' CD1' ' O ' ' A' ' 32' ' ' GLU . 15.2 m95 -72.7 -27.15 61.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -67.27 -42.49 83.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.893 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.574 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 37.0 mttp -63.07 -54.87 31.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 40.1 mt -57.59 -48.64 82.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.146 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.745 ' HA ' HD12 ' A' ' 43' ' ' LEU . . . -53.1 -57.38 10.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.094 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -39.16 -49.07 1.81 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -57.82 -56.63 19.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.791 HD13 ' HB2' ' A' ' 46' ' ' ARG . 13.8 mt -42.53 -50.91 5.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 93.35 -34.29 4.67 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.466 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -99.63 -59.74 1.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.821 0.343 . . . . 0.0 110.884 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.791 ' HB2' HD13 ' A' ' 43' ' ' LEU . 67.4 mmt-85 -64.84 167.29 7.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.644 ' O ' HG23 ' A' ' 51' ' ' VAL . 13.0 t -127.57 165.15 20.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.121 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -43.14 -41.37 3.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -69.14 -70.37 0.28 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.554 ' NE2' ' CG2' ' A' ' 47' ' ' THR . 0.2 OUTLIER -40.52 -34.05 0.32 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.644 HG23 ' O ' ' A' ' 47' ' ' THR . 90.4 t -73.15 -40.57 58.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 49' ' ' LYS . . . -58.1 -47.05 84.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 11.5 m -61.48 -49.69 75.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.885 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 14.9 tp60 -51.0 -47.74 61.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.95 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.562 HG21 ' CZ3' ' A' ' 36' ' ' TRP . 76.5 t -53.52 -41.02 43.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.129 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -52.16 -51.14 59.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 45.2 mttt -83.81 21.74 1.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -121.18 -37.55 2.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.936 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.409 ' CD1' ' N ' ' A' ' 59' ' ' PHE . 2.2 m-85 -106.05 -51.6 2.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.866 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 62.5 mt -60.06 -43.11 92.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.153 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 70.5 tttt -49.86 -42.25 47.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.876 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 16.7 mt -63.92 -43.76 94.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.882 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 21.0 m -41.12 -58.83 1.66 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.3 ttmt 64.18 41.78 5.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.886 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -172.82 153.48 2.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.082 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 55.37 40.85 78.2 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.475 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.665 HG23 ' HD2' ' A' ' 68' ' ' PRO . 44.5 mt -113.38 138.6 22.53 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.63 0.728 . . . . 0.0 111.169 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.665 ' HD2' HG23 ' A' ' 67' ' ' ILE . 54.0 Cg_endo -69.75 152.09 69.26 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.683 2.255 . . . . 0.0 112.347 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.437 HG13 ' N ' ' A' ' 70' ' ' SER . 8.2 p -117.58 -42.39 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.105 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.437 ' N ' HG13 ' A' ' 69' ' ' VAL . 15.0 m -122.14 139.54 53.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.839 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -151.29 83.27 0.17 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.503 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -41.55 4.18 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.696 2.264 . . . . 0.0 112.348 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 52.1 m -60.04 129.96 44.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 92.6 p -75.01 -45.8 39.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.259 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.476 -179.994 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.476 ' CH2' ' HG3' ' A' ' 46' ' ' ARG . 7.8 m95 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.788 0.328 . . . . 0.0 110.947 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 13' ' ' VAL . 6.2 t -120.25 142.15 49.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.132 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.499 HG13 ' N ' ' A' ' 14' ' ' GLU . 8.1 p -34.5 -46.28 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.183 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.499 ' N ' HG13 ' A' ' 13' ' ' VAL . 40.2 mt-10 -50.31 -54.47 21.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.453 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 66.3 mt-10 -71.17 -52.29 20.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 15' ' ' GLU . 77.2 mt-30 -36.4 -59.95 0.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.0 ptpt -59.75 -41.46 91.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.9 tttp -55.87 -59.45 4.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.584 HD23 ' CE2' ' A' ' 58' ' ' TYR . 37.1 tp -49.71 -59.03 4.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.526 ' HA ' HD12 ' A' ' 23' ' ' LEU . 11.5 mt-10 -36.87 -48.62 0.76 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -66.07 -59.16 4.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.952 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.631 HD13 HG23 ' A' ' 39' ' ' ILE . 69.8 mt -45.82 -38.07 6.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.526 HD12 ' HA ' ' A' ' 20' ' ' GLU . 59.1 mt -52.65 -46.43 67.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 75.1 mt -66.28 -48.77 79.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.157 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.1 tttt -59.65 -34.98 73.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.585 ' CE1' ' HB3' ' A' ' 38' ' ' LYS . 50.6 m-85 -104.61 93.11 5.6 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.66 0.743 . . . . 0.0 110.925 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 170.0 17.59 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.634 2.223 . . . . 0.0 112.361 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.444 ' HA ' ' OE2' ' A' ' 29' ' ' GLU . 54.1 Cg_endo -69.74 163.51 37.97 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.679 2.253 . . . . 0.0 112.381 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.454 ' OE2' ' N ' ' A' ' 29' ' ' GLU . 1.1 pm0 -157.54 178.51 10.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.932 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.639 ' HG3' HG23 ' A' ' 31' ' ' VAL . 11.1 pt-20 -55.24 -46.33 76.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.639 HG23 ' HG3' ' A' ' 30' ' ' GLU . 95.3 t -102.47 118.56 49.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.169 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.544 ' HG2' ' CZ2' ' A' ' 36' ' ' TRP . 10.8 tt0 -76.45 -27.42 56.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 25.2 m -62.87 -56.91 13.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.834 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.527 ' H ' HG12 ' A' ' 31' ' ' VAL . 6.7 ptm180 -54.26 -34.25 60.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.509 ' NE ' ' CZ3' ' A' ' 36' ' ' TRP . 39.3 ttt180 -58.97 -55.52 34.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.828 ' CZ3' HG21 ' A' ' 55' ' ' VAL . 11.1 m95 -58.52 -38.64 78.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.9 tp60 -54.98 -42.44 72.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.874 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.585 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 47.2 mtmt -62.77 -56.74 14.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.873 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.631 HG23 HD13 ' A' ' 22' ' ' LEU . 39.8 mt -54.2 -53.88 25.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.149 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.72 -48.05 40.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.062 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -49.26 -43.81 43.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.83 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -64.46 -48.52 74.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.683 HD13 ' HB2' ' A' ' 46' ' ' ARG . 28.7 mt -53.76 -46.3 70.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.949 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 85.2 -42.02 3.11 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.488 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -86.83 -50.12 6.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.864 0.364 . . . . 0.0 110.925 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.683 ' HB2' HD13 ' A' ' 43' ' ' LEU . 31.0 mmt-85 -75.29 167.41 21.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 48' ' ' ALA . 65.4 p -127.89 158.02 38.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.165 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 47' ' ' THR . . . -36.22 -55.98 0.77 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.053 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.8 mmtt -55.98 -66.13 0.48 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 40.0 mm-40 -41.11 -41.07 1.66 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.635 ' O ' HG23 ' A' ' 55' ' ' VAL . 98.4 t -70.39 -40.86 78.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.178 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.49 -54.74 42.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.081 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 75.6 m -56.12 -45.06 79.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.466 ' HG3' ' CE1' ' A' ' 58' ' ' TYR . 10.7 tp60 -55.63 -46.74 77.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.941 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.828 HG21 ' CZ3' ' A' ' 36' ' ' TRP . 97.6 t -53.26 -40.77 40.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.142 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.539 ' OE1' HD11 ' A' ' 60' ' ' ILE . 16.0 mm-40 -54.6 -50.27 68.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 29.0 mttm -83.23 20.45 1.28 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.584 ' CE2' HD23 ' A' ' 19' ' ' LEU . 2.7 m-85 -118.3 -37.4 3.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.404 ' N ' ' CD1' ' A' ' 59' ' ' PHE . 2.2 m-85 -105.09 -43.06 5.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.851 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.539 HD11 ' OE1' ' A' ' 56' ' ' GLN . 57.1 mt . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.565 ' CH2' ' HG3' ' A' ' 46' ' ' ARG . 21.1 m95 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.851 0.358 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.657 HG22 ' OE2' ' A' ' 15' ' ' GLU . 9.2 t -78.04 165.48 23.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.139 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.4 p -59.3 -37.6 70.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.115 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.425 ' HA ' ' CE ' ' A' ' 17' ' ' LYS . 46.0 mt-10 -63.54 -39.76 95.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.657 ' OE2' HG22 ' A' ' 12' ' ' THR . 22.2 mt-10 -75.73 -49.73 17.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -47.84 -48.72 30.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.425 ' CE ' ' HA ' ' A' ' 14' ' ' GLU . 3.9 pttp -67.77 -49.87 60.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.611 ' HE3' HD23 ' A' ' 43' ' ' LEU . 4.8 ttpp -54.3 -63.68 1.07 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.825 ' HA ' HD12 ' A' ' 22' ' ' LEU . 25.8 tp -35.76 -53.45 0.72 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.935 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 -46.85 -51.58 16.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -61.04 -42.37 98.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.825 HD12 ' HA ' ' A' ' 19' ' ' LEU . 10.6 mt -60.78 -57.17 13.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 22' ' ' LEU . 23.5 mt -34.43 -53.43 0.51 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 18.8 mt -66.07 -47.76 83.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.126 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.6 ttmt -46.09 -55.53 6.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -87.28 122.3 70.92 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.652 0.739 . . . . 0.0 110.939 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 151.37 68.95 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.682 2.254 . . . . 0.0 112.354 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 161.34 46.31 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.736 2.291 . . . . 0.0 112.308 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -162.87 158.77 22.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -46.17 -49.0 17.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.468 HG12 ' H ' ' A' ' 34' ' ' ARG . 56.3 t -88.93 105.04 15.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.13 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.517 ' HB2' ' CZ2' ' A' ' 36' ' ' TRP . 25.3 pm0 -79.66 -31.0 41.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.891 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.432 ' N ' ' HG2' ' A' ' 32' ' ' GLU . 12.4 p -51.99 -43.44 63.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 -179.777 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.468 ' H ' HG12 ' A' ' 31' ' ' VAL . 10.8 ptm180 -74.43 -33.78 63.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 50.0 ttt180 -62.2 -48.44 80.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.706 ' CZ3' HG21 ' A' ' 55' ' ' VAL . 9.3 m95 -59.74 -45.9 90.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 30.3 tp60 -47.33 -48.23 25.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.952 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 47.9 mttm -59.01 -49.96 75.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.63 HG23 HD13 ' A' ' 22' ' ' LEU . 49.7 mt -58.46 -53.59 44.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.163 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -46.11 -51.43 13.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.078 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -40.26 -51.28 2.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -59.46 -56.62 19.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.611 HD23 ' HE3' ' A' ' 18' ' ' LYS . 10.2 mt -49.2 -60.67 2.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 94.38 -37.76 3.32 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.474 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -83.58 -51.27 7.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.78 0.324 . . . . 0.0 110.888 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.565 ' HG3' ' CH2' ' A' ' 11' ' ' TRP . 14.0 mmp_? -84.63 158.99 20.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.652 ' O ' HG23 ' A' ' 51' ' ' VAL . 59.6 p -118.29 162.8 17.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 47' ' ' THR . . . -36.57 -59.1 0.69 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.126 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.402 ' O ' ' N ' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -54.46 -68.41 0.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -42.25 -34.03 0.71 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 47' ' ' THR . 97.0 t -71.99 -39.76 66.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.113 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 49' ' ' LYS . . . -54.69 -50.32 68.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 14.7 m -59.29 -42.5 91.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -58.76 -49.83 76.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.918 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.706 HG21 ' CZ3' ' A' ' 36' ' ' TRP . 94.6 t -50.96 -34.21 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.14 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.2 mm100 -61.5 -46.02 91.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -84.11 24.63 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -122.63 -35.63 3.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.954 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.401 ' CD1' ' N ' ' A' ' 59' ' ' PHE . 2.4 m-85 -108.63 -44.91 3.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.901 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 77.3 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.108 179.966 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.545 ' CH2' ' HG3' ' A' ' 46' ' ' ARG . 30.0 m95 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.826 0.346 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.434 HG23 ' H ' ' A' ' 15' ' ' GLU . 10.2 t -110.51 154.0 24.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.144 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.496 HG13 ' N ' ' A' ' 14' ' ' GLU . 7.2 p -38.36 -45.39 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.152 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.496 ' N ' HG13 ' A' ' 13' ' ' VAL . 22.7 mm-40 -57.43 -49.58 75.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.434 ' H ' HG23 ' A' ' 12' ' ' THR . 51.4 mt-10 -67.01 -55.55 13.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -37.77 -58.01 0.94 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' A' ' 18' ' ' LYS . 0.7 OUTLIER -62.25 -42.35 99.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.41 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 25.5 tttt -53.36 -58.55 6.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.907 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 17.5 tp -50.7 -45.79 58.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.641 ' O ' HD12 ' A' ' 24' ' ' ILE . 29.4 mm-40 -52.71 -54.91 27.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.853 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -59.4 -54.85 41.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.2 mt -47.97 -49.42 30.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.597 HD12 ' HA ' ' A' ' 20' ' ' GLU . 23.3 mt -40.88 -50.94 3.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.944 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.641 HD12 ' O ' ' A' ' 20' ' ' GLU . 5.3 mp -71.17 -45.93 68.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -44.48 -45.15 9.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -98.85 124.53 45.46 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.653 0.739 . . . . 0.0 110.941 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 154.5 67.61 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.66 2.24 . . . . 0.0 112.337 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 154.64 67.58 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.673 2.248 . . . . 0.0 112.35 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -151.21 162.19 41.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -55.31 -48.4 74.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 63.7 t -89.06 84.66 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.091 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.494 ' HB2' ' CE2' ' A' ' 36' ' ' TRP . 1.7 pm0 -53.33 -34.46 57.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.435 ' N ' ' HG2' ' A' ' 32' ' ' GLU . 14.5 t -42.51 -54.77 3.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.8 mtp180 -58.25 -57.02 14.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.882 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 64.4 ttt180 -40.72 -46.88 2.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.531 ' CZ3' HG21 ' A' ' 55' ' ' VAL . 8.3 m95 -65.66 -43.73 88.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -54.62 -44.4 73.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 72.0 mttt -63.45 -55.62 22.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 34.5 mt -55.0 -53.39 34.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.073 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.527 ' HB1' ' HA ' ' A' ' 47' ' ' THR . . . -51.13 -50.24 59.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.111 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -42.58 -58.13 2.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.857 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -47.32 -55.88 7.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.443 ' CD1' ' HB2' ' A' ' 46' ' ' ARG . 67.7 mt -47.45 -46.49 26.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 89.17 -43.77 3.07 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.495 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -86.35 -44.88 11.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.866 0.365 . . . . 0.0 110.921 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.545 ' HG3' ' CH2' ' A' ' 11' ' ' TRP . 2.8 mmp_? -74.94 173.58 10.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.527 ' HA ' ' HB1' ' A' ' 40' ' ' ALA . 58.4 p -142.94 157.41 44.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.109 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 47' ' ' THR . . . -34.09 -52.93 0.47 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.114 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.409 ' O ' ' N ' ' A' ' 52' ' ' ALA . 8.9 mmtp -58.85 -70.04 0.17 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.873 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 54.3 mm-40 -40.04 -35.92 0.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.963 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.487 ' O ' HG23 ' A' ' 55' ' ' VAL . 86.6 t -72.68 -42.99 62.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.158 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 49' ' ' LYS . . . -57.01 -49.44 75.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.108 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 74.0 m -65.05 -28.9 69.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.441 ' O ' ' CD1' ' A' ' 58' ' ' TYR . 14.3 tp60 -77.29 -39.72 47.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.945 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.576 HG22 HD21 ' A' ' 23' ' ' LEU . 81.5 t -70.28 -46.88 69.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.486 ' HG3' ' N ' ' A' ' 57' ' ' LYS . 11.4 pt20 -52.55 -36.67 56.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.486 ' N ' ' HG3' ' A' ' 56' ' ' GLN . 75.1 mttt -91.49 21.74 4.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.441 ' CD1' ' O ' ' A' ' 54' ' ' GLN . 2.6 m-85 -119.79 -37.43 3.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.427 ' CD1' ' N ' ' A' ' 59' ' ' PHE . 1.9 m-85 -103.26 -38.32 7.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.86 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 28.3 mt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.136 179.997 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.539 ' CE2' ' HD2' ' A' ' 46' ' ' ARG . 10.7 m0 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.865 0.364 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 13' ' ' VAL . 6.1 t -118.32 148.26 42.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.136 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.443 ' C ' ' O ' ' A' ' 12' ' ' THR . 78.1 t -33.86 -49.27 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.145 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -53.13 -61.46 2.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.938 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.58 -41.48 77.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -49.01 -66.39 0.41 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.402 ' CE ' HG12 ' A' ' 13' ' ' VAL . 13.2 ptpt -59.53 -40.63 87.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 50.3 tttp -54.97 -43.27 73.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 1.023 HD23 ' CE2' ' A' ' 58' ' ' TYR . 25.5 tp -64.25 -60.1 3.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.615 ' HA ' HD12 ' A' ' 23' ' ' LEU . 25.5 mt-10 -36.51 -44.18 0.43 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.872 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 -64.69 -59.69 3.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.988 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.521 HD12 ' HA ' ' A' ' 19' ' ' LEU . 10.8 mt -44.31 -49.91 9.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.615 HD12 ' HA ' ' A' ' 20' ' ' GLU . 16.9 mt -38.69 -47.96 1.42 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 18.9 mt -66.73 -53.14 37.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.152 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.2 ttmt -49.84 -41.11 44.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 62.8 m-85 -100.69 99.6 10.53 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.657 0.741 . . . . 0.0 110.934 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 170.04 17.56 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.662 2.241 . . . . 0.0 112.355 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.442 ' HA ' ' OE2' ' A' ' 29' ' ' GLU . 53.6 Cg_endo -69.77 167.12 25.37 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.676 2.251 . . . . 0.0 112.344 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.542 ' N ' ' CD ' ' A' ' 29' ' ' GLU . 0.8 OUTLIER -156.4 -179.04 7.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.838 -179.925 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.418 ' HG3' HG23 ' A' ' 31' ' ' VAL . 5.3 pt-20 -63.78 -41.78 97.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.418 HG23 ' HG3' ' A' ' 30' ' ' GLU . 44.5 t -98.18 114.22 35.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.125 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.488 ' O ' ' NE1' ' A' ' 36' ' ' TRP . 6.4 tp10 -82.31 39.31 0.58 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 27.6 t -128.36 -55.11 1.26 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 -55.07 -31.72 61.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.858 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.437 ' HB2' ' CD ' ' A' ' 29' ' ' GLU . 65.0 ttt180 -61.44 -43.58 98.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.541 ' CZ3' HG21 ' A' ' 55' ' ' VAL . 12.2 m95 -68.42 -42.94 78.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.939 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 21.7 tp60 -55.09 -52.77 62.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.907 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 33.5 mtmt -54.34 -55.77 25.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.421 HG23 HD13 ' A' ' 22' ' ' LEU . 39.8 mt -54.63 -47.07 73.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.129 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.459 ' HB1' ' HA ' ' A' ' 47' ' ' THR . . . -49.99 -54.0 22.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.086 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -51.22 -43.79 61.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.868 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -63.84 -45.47 89.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.486 ' CD1' HG22 ' A' ' 51' ' ' VAL . 32.5 mt -51.32 -38.75 54.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.945 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 124.34 -80.53 0.36 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.51 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -99.9 -33.48 10.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.827 0.346 . . . . 0.0 110.896 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.539 ' HD2' ' CE2' ' A' ' 11' ' ' TRP . 15.4 mmp_? -49.88 145.63 5.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.459 ' HA ' ' HB1' ' A' ' 40' ' ' ALA . 19.7 p -115.35 161.27 18.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 47' ' ' THR . . . -35.12 -53.31 0.6 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.112 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 50' ' ' GLN . 8.9 mmtp -56.97 -70.0 0.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' A' ' 49' ' ' LYS . 92.0 mm-40 -37.04 -38.18 0.18 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.901 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.486 HG22 ' CD1' ' A' ' 43' ' ' LEU . 67.8 t -74.04 -47.97 40.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.67 -44.18 85.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 t -72.43 -11.88 60.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 10.0 tp60 -90.41 -28.89 18.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.907 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.541 HG21 ' CZ3' ' A' ' 36' ' ' TRP . 90.9 t -74.81 -45.73 43.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.168 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.484 ' HG3' ' N ' ' A' ' 57' ' ' LYS . 18.1 pt20 -41.95 -46.42 4.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.949 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.484 ' N ' ' HG3' ' A' ' 56' ' ' GLN . 55.7 mttt -75.82 -48.63 20.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 1.023 ' CE2' HD23 ' A' ' 19' ' ' LEU . 3.6 m-30 -41.28 -24.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.446 ' N ' ' O ' ' A' ' 57' ' ' LYS . 1.9 m-85 -116.09 -39.26 3.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.831 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.725 ' O ' HG22 ' A' ' 60' ' ' ILE . 30.1 mt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.155 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.573 ' CH2' ' HG3' ' A' ' 46' ' ' ARG . 7.0 m95 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.841 0.353 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.2 t -100.96 148.62 24.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.127 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.493 HG12 ' HD2' ' A' ' 17' ' ' LYS . 97.1 t -41.55 -53.66 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.166 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -42.09 -36.09 1.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.85 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 18' ' ' LYS . 39.7 mt-10 -91.26 -54.26 4.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -46.66 -29.28 1.78 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.951 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.493 ' HD2' HG12 ' A' ' 13' ' ' VAL . 7.6 ptmt -86.04 -25.87 25.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 15' ' ' GLU . 26.7 tttp -79.23 -47.83 15.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.595 HD23 ' CE2' ' A' ' 58' ' ' TYR . 31.8 tp -56.26 -57.54 11.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.937 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.427 ' HA ' HD12 ' A' ' 23' ' ' LEU . 70.8 mm-40 -43.35 -38.16 2.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -76.68 -55.23 5.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.666 HD13 HG23 ' A' ' 39' ' ' ILE . 23.1 mt -50.03 -33.08 17.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.427 HD12 ' HA ' ' A' ' 20' ' ' GLU . 28.9 mt -55.03 -42.8 73.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 22.9 mt -72.14 -50.12 38.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.497 ' HD2' ' CE2' ' A' ' 26' ' ' TYR . 2.9 tmtm? -55.27 -41.21 71.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.575 ' CE1' ' HB3' ' A' ' 38' ' ' LYS . 53.4 m-85 -104.91 92.23 5.05 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.677 0.751 . . . . 0.0 110.954 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 169.51 18.8 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.661 2.24 . . . . 0.0 112.368 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 162.23 42.89 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.685 2.257 . . . . 0.0 112.316 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -154.85 -177.08 6.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.561 ' HG3' HG23 ' A' ' 31' ' ' VAL . 6.1 pt-20 -59.99 -47.31 86.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.899 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.561 HG23 ' HG3' ' A' ' 30' ' ' GLU . 83.2 t -102.35 100.04 9.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.124 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.407 ' HG2' ' N ' ' A' ' 33' ' ' SER . 0.7 OUTLIER -60.67 -35.54 76.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.407 ' N ' ' HG2' ' A' ' 32' ' ' GLU . 6.9 p -44.37 -48.24 9.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.84 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.3 mtp180 -66.69 -46.44 75.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.859 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 45.4 ttt180 -45.74 -46.63 15.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.895 ' CZ3' HG21 ' A' ' 55' ' ' VAL . 16.1 m95 -72.35 -28.04 62.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.612 HE21 ' HB2' ' A' ' 48' ' ' ALA . 5.3 mm-40 -70.49 -49.51 47.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.91 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.575 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 65.9 mttt -54.68 -43.33 72.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.666 HG23 HD13 ' A' ' 22' ' ' LEU . 26.4 mt -67.64 -51.97 45.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.12 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.469 ' HA ' HD12 ' A' ' 43' ' ' LEU . . . -48.8 -53.72 18.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.128 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -42.32 -57.61 2.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -50.34 -50.38 51.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.497 HD13 ' HB2' ' A' ' 46' ' ' ARG . 26.6 mt -56.52 -46.5 80.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 80.98 -41.73 2.63 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.522 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -82.57 -45.31 14.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.807 0.337 . . . . 0.0 110.895 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.573 ' HG3' ' CH2' ' A' ' 11' ' ' TRP . 11.7 mmp_? -85.67 164.87 17.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 48' ' ' ALA . 10.4 p -125.43 157.61 36.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.168 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.612 ' HB2' HE21 ' A' ' 37' ' ' GLN . . . -36.29 -47.91 0.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.09 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.21 -64.76 0.8 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -46.04 -33.38 3.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.884 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.855 ' O ' HG23 ' A' ' 55' ' ' VAL . 63.3 t -75.83 -39.35 38.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.167 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.7 -46.05 89.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.082 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 30.6 p -65.54 -45.42 83.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -56.62 -43.94 80.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.895 HG21 ' CZ3' ' A' ' 36' ' ' TRP . 90.9 t -56.03 -38.44 53.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.133 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 34.2 mm-40 -56.94 -47.46 80.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.4 mtpp -84.72 16.78 3.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.595 ' CE2' HD23 ' A' ' 19' ' ' LEU . 2.9 m-30 -116.69 -13.45 10.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -132.28 -52.48 0.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 71.8 mt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.129 -179.991 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.557 ' CH2' ' HG3' ' A' ' 46' ' ' ARG . 55.8 m95 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.805 0.336 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 13' ' ' VAL . 14.6 t -88.92 152.99 21.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.152 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.536 HG13 ' N ' ' A' ' 14' ' ' GLU . 9.3 p -35.71 -47.48 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.122 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.536 ' N ' HG13 ' A' ' 13' ' ' VAL . 14.0 mt-10 -51.43 -52.43 46.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -69.45 -47.97 62.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -41.71 -53.35 3.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.472 ' HG3' ' N ' ' A' ' 18' ' ' LYS . 16.6 pttp -71.75 -35.26 70.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.524 ' CD ' HD11 ' A' ' 22' ' ' LEU . 1.2 tmtp? -59.1 -62.12 2.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.921 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.454 ' HA ' HD12 ' A' ' 22' ' ' LEU . 10.9 tp -47.62 -47.31 28.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.939 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.632 ' HA ' HD12 ' A' ' 23' ' ' LEU . 23.8 mm-40 -49.72 -48.73 49.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -62.73 -41.53 99.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.524 HD11 ' CD ' ' A' ' 18' ' ' LYS . 22.9 mt -62.44 -51.17 68.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.632 HD12 ' HA ' ' A' ' 20' ' ' GLU . 56.5 mt -38.64 -52.56 1.65 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 29.2 mt -61.49 -46.97 95.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.106 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.4 tttt -56.29 -43.25 78.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.571 ' CE1' ' HB3' ' A' ' 38' ' ' LYS . 60.2 m-85 -105.51 93.22 6.77 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.677 0.751 . . . . 0.0 110.895 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 26' ' ' TYR . 53.3 Cg_endo -69.84 170.04 17.6 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.633 2.222 . . . . 0.0 112.333 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 113.89 3.53 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.657 2.238 . . . . 0.0 112.342 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -104.61 163.45 12.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.74 ' HG3' HG23 ' A' ' 31' ' ' VAL . 10.0 pt-20 -38.22 -44.23 0.84 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.74 HG23 ' HG3' ' A' ' 30' ' ' GLU . 27.3 t -104.09 94.95 3.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.11 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.491 ' HG2' ' CE2' ' A' ' 36' ' ' TRP . 17.5 tt0 -49.8 -45.29 49.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 43.6 t -46.58 -51.01 16.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 47.4 mtt-85 -55.43 -49.29 72.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.888 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 48.1 ttt180 -45.94 -52.63 11.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.784 ' CZ3' HG21 ' A' ' 55' ' ' VAL . 12.4 m95 -59.1 -46.2 88.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -51.17 -46.27 62.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.917 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.571 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 38.9 mttm -60.59 -46.84 88.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 73.4 mt -59.77 -56.47 17.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.167 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 41' ' ' ASP . . . -52.24 -58.0 7.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.126 179.771 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 40' ' ' ALA . 10.5 t0 -35.38 -54.95 0.66 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -56.74 -49.53 74.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.4 mt -56.54 -44.07 80.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.56 -42.12 2.39 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.452 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 40.0 t-20 -78.52 -47.04 18.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.784 0.326 . . . . 0.0 110.878 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.557 ' HG3' ' CH2' ' A' ' 11' ' ' TRP . 7.2 mmt-85 -85.44 169.02 14.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.442 ' O ' HG23 ' A' ' 51' ' ' VAL . 58.6 p -125.93 157.53 37.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 47' ' ' THR . . . -37.27 -55.48 1.01 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 52' ' ' ALA . 8.4 mmtp -56.41 -66.95 0.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.932 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 41.8 mm-40 -39.22 -39.88 0.67 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.72 ' O ' HG23 ' A' ' 55' ' ' VAL . 97.2 t -68.91 -42.15 82.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 49' ' ' LYS . . . -57.19 -50.88 71.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.146 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 18.1 m -57.76 -47.55 82.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.545 ' HG3' ' CE1' ' A' ' 58' ' ' TYR . 7.4 tp60 -55.83 -40.16 72.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.784 HG21 ' CZ3' ' A' ' 36' ' ' TRP . 94.9 t -56.17 -45.44 80.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.142 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -48.07 -50.92 26.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.11 24.2 0.96 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.545 ' CE1' ' HG3' ' A' ' 54' ' ' GLN . 3.6 m-85 -124.72 -35.06 2.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.92 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.431 ' CE1' HG13 ' A' ' 55' ' ' VAL . 2.1 m-85 -109.63 -50.3 3.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.906 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 69.4 mt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.136 179.967 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.561 ' CD1' ' NE2' ' A' ' 54' ' ' GLN . 11.1 m95 . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.884 0.373 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.405 ' O ' ' N ' ' A' ' 15' ' ' GLU . 12.3 t -105.19 149.13 26.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.193 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.462 HG13 ' N ' ' A' ' 14' ' ' GLU . 7.7 p -38.63 -44.58 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.142 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.462 ' N ' HG13 ' A' ' 13' ' ' VAL . 15.7 mt-10 -52.36 -42.94 64.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.495 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 48.1 mt-10 -81.83 -36.09 28.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.904 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -48.03 -65.06 0.63 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.1 pttt -51.9 -44.29 63.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.79 -67.11 0.34 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 40.8 tp -45.72 -54.63 7.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -48.96 -53.29 20.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -61.41 -61.44 2.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.931 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.435 HD13 HG23 ' A' ' 39' ' ' ILE . 87.8 mt -46.29 -40.19 11.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.561 HD21 HG22 ' A' ' 55' ' ' VAL . 27.0 mt -53.82 -48.24 70.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 43.6 mt -69.76 -42.24 80.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 43.6 tttp -64.31 -31.61 72.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.485 ' CE1' ' HB3' ' A' ' 38' ' ' LYS . 39.3 m-85 -102.06 97.65 8.74 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.685 0.755 . . . . 0.0 110.919 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 26' ' ' TYR . 53.7 Cg_endo -69.77 170.08 17.42 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.674 2.249 . . . . 0.0 112.386 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.447 ' HA ' ' OE2' ' A' ' 29' ' ' GLU . 53.9 Cg_endo -69.74 164.47 34.39 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.725 2.283 . . . . 0.0 112.353 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.447 ' OE2' ' HA ' ' A' ' 28' ' ' PRO . 1.5 pm0 -154.55 -175.36 5.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -60.24 -50.65 72.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.515 HG12 ' H ' ' A' ' 33' ' ' SER . 2.1 t -98.02 134.56 35.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.116 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.59 ' O ' ' CD1' ' A' ' 36' ' ' TRP . 37.0 tt0 -89.34 -1.05 57.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.515 ' H ' HG12 ' A' ' 31' ' ' VAL . 4.7 t -96.7 -27.19 14.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.842 -179.759 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.469 ' N ' ' HD2' ' A' ' 34' ' ' ARG . 0.6 OUTLIER -77.68 -26.06 49.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.889 -179.944 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.426 ' HB2' ' CD ' ' A' ' 29' ' ' GLU . 67.7 ttt180 -69.12 -44.84 71.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.754 ' CZ3' HG21 ' A' ' 55' ' ' VAL . 12.4 m95 -67.06 -42.6 84.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.916 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -50.97 -40.31 57.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.94 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.485 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 38.5 mttm -69.89 -59.55 2.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.435 HG23 HD13 ' A' ' 22' ' ' LEU . 67.9 mt -47.36 -43.65 8.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.093 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.25 -49.41 77.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.087 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -45.62 -47.13 14.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -59.03 -45.66 90.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.768 HD13 ' HB2' ' A' ' 46' ' ' ARG . 9.7 mt -60.56 -58.05 10.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 98.81 -38.97 2.89 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.525 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -93.35 -45.09 7.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.803 0.335 . . . . 0.0 110.896 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.768 ' HB2' HD13 ' A' ' 43' ' ' LEU . 77.3 mmt-85 -77.09 167.02 22.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.645 ' O ' HG23 ' A' ' 51' ' ' VAL . 40.5 p -129.3 163.47 25.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.13 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -39.11 -51.32 1.89 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.485 ' O ' ' N ' ' A' ' 52' ' ' ALA . 10.8 mmmt -61.08 -71.28 0.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -38.46 -29.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 47' ' ' THR . 91.3 t -78.64 -42.25 25.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.155 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.485 ' N ' ' O ' ' A' ' 49' ' ' LYS . . . -61.67 -49.87 74.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.104 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.4 t -53.47 -38.5 63.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.561 ' NE2' ' CD1' ' A' ' 11' ' ' TRP . 9.5 tp60 -65.56 -52.05 55.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.912 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.754 HG21 ' CZ3' ' A' ' 36' ' ' TRP . 95.8 t -52.47 -36.11 21.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.161 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -55.41 -50.07 70.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.948 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.3 mttp -82.49 18.13 1.57 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -114.21 -39.26 3.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -103.11 -44.13 5.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 56.6 mt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.142 179.957 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.559 ' CH2' ' HG3' ' A' ' 46' ' ' ARG . 40.9 m95 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.884 0.373 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.7 t -93.92 158.6 15.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.131 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.526 HG13 ' N ' ' A' ' 14' ' ' GLU . 8.3 p -45.14 -47.36 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.094 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.526 ' N ' HG13 ' A' ' 13' ' ' VAL . 59.6 mm-40 -52.59 -48.33 66.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 16' ' ' GLN . 46.6 mt-10 -68.82 -55.47 11.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 15' ' ' GLU . 47.9 mt-30 -36.84 -61.91 0.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.45 ' HG3' ' N ' ' A' ' 18' ' ' LYS . 13.3 ptpt -55.67 -49.65 72.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.45 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 21.1 tttp -50.56 -59.35 4.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.475 HD22 ' CH2' ' A' ' 11' ' ' TRP . 24.3 tp -54.38 -66.8 0.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.959 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 19' ' ' LEU . 69.1 mt-10 -35.54 -40.59 0.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 24.2 mm-40 -70.18 -52.28 24.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 24.9 mt -57.9 -50.83 72.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.424 HD12 ' HG ' ' A' ' 19' ' ' LEU . 15.9 mt -41.53 -44.91 3.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 44.3 mt -77.76 -39.78 26.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.542 ' HD2' ' CE2' ' A' ' 26' ' ' TYR . 1.4 tmtp? -53.87 -44.64 70.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.888 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.542 ' CE2' ' HD2' ' A' ' 25' ' ' LYS . 54.6 m-85 -91.55 120.23 68.28 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.698 0.761 . . . . 0.0 110.919 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 155.43 65.81 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.666 2.244 . . . . 0.0 112.333 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 172.03 13.44 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.707 2.272 . . . . 0.0 112.333 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.427 ' CD ' ' HD2' ' A' ' 34' ' ' ARG . 5.3 pt-20 -162.91 173.34 13.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -50.59 -47.55 58.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.559 HG12 ' H ' ' A' ' 34' ' ' ARG . 69.2 t -104.56 113.42 41.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.143 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -72.72 -31.04 64.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.2 t -53.07 -48.43 67.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.559 ' H ' HG12 ' A' ' 31' ' ' VAL . 6.5 ptp85 -66.1 -28.18 68.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.4 ' N ' ' HG3' ' A' ' 34' ' ' ARG . 55.8 ttt180 -69.04 -44.05 73.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.517 ' CH2' HG11 ' A' ' 55' ' ' VAL . 13.3 m95 -63.55 -36.4 83.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.824 ' HA ' ' HB2' ' A' ' 48' ' ' ALA . 5.3 tp-100 -57.3 -48.25 79.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.939 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.1 mttt -58.74 -46.54 87.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.929 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 62.7 mt -62.0 -44.46 98.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.434 ' O ' ' C ' ' A' ' 41' ' ' ASP . . . -55.09 -56.4 20.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.084 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 40' ' ' ALA . 4.1 t70 -34.54 -59.45 0.46 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.887 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -52.45 -50.25 63.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.8 mt -56.85 -41.85 78.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.933 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 75.7 -46.92 2.07 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.522 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -74.46 -50.59 17.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.788 0.328 . . . . 0.0 110.912 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.559 ' HG3' ' CH2' ' A' ' 11' ' ' TRP . 8.1 mmt180 -85.14 157.35 20.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.841 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.488 ' O ' ' N ' ' A' ' 49' ' ' LYS . 38.6 p -119.12 156.3 30.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.824 ' HB2' ' HA ' ' A' ' 37' ' ' GLN . . . -38.18 -26.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.113 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 47' ' ' THR . 0.1 OUTLIER -81.04 -67.34 0.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -47.0 -31.79 3.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.893 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.73 ' O ' HG23 ' A' ' 55' ' ' VAL . 98.1 t -69.94 -42.05 79.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.68 -47.36 82.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.083 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 93.1 p -55.76 -46.9 77.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.826 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.4 ' HG3' ' CE1' ' A' ' 58' ' ' TYR . 4.4 tp-100 -62.76 -43.66 98.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.93 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.73 HG23 ' O ' ' A' ' 51' ' ' VAL . 91.2 t -51.69 -32.85 14.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.127 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.472 ' OE1' HD11 ' A' ' 60' ' ' ILE . 12.2 mm100 -58.27 -43.24 87.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -90.19 18.81 5.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.4 ' CE1' ' HG3' ' A' ' 54' ' ' GLN . 3.7 m-85 -119.1 -24.64 6.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.426 ' N ' ' CD1' ' A' ' 59' ' ' PHE . 1.9 m-85 -120.9 -44.8 2.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.472 HD11 ' OE1' ' A' ' 56' ' ' GLN . 20.8 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.168 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.585 ' CZ3' ' HB3' ' A' ' 15' ' ' GLU . 12.6 m95 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.83 0.348 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.455 HG23 ' HB2' ' A' ' 14' ' ' GLU . 8.9 t -140.31 148.39 41.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.157 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.446 ' C ' ' O ' ' A' ' 12' ' ' THR . 77.3 t -33.08 -45.29 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.171 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.497 ' O ' ' CB ' ' A' ' 18' ' ' LYS . 14.1 mt-10 -48.91 -68.42 0.18 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.585 ' HB3' ' CZ3' ' A' ' 11' ' ' TRP . 48.7 mm-40 -61.94 -37.36 84.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.856 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -45.47 -70.2 0.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.42 ' NZ ' ' HA ' ' A' ' 14' ' ' GLU . 8.4 pttm -72.63 -44.23 62.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.497 ' CB ' ' O ' ' A' ' 14' ' ' GLU . 54.4 tttt -50.39 -31.13 13.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.907 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.423 HD22 ' CH2' ' A' ' 11' ' ' TRP . 9.4 tp -75.96 -56.51 4.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.756 ' HA ' HD12 ' A' ' 23' ' ' LEU . 62.8 mt-10 -43.67 -43.39 5.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.881 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -63.16 -50.01 72.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.59 ' HB3' HG23 ' A' ' 39' ' ' ILE . 27.1 mt -53.64 -50.13 66.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.756 HD12 ' HA ' ' A' ' 20' ' ' GLU . 21.1 mt -42.02 -45.43 3.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 37.1 mt -66.07 -43.43 92.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.104 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 64.8 tttt -59.68 -44.76 93.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.895 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.478 ' CE1' ' HB3' ' A' ' 38' ' ' LYS . 68.1 m-85 -97.02 103.53 15.45 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.698 0.761 . . . . 0.0 110.926 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' ' 26' ' ' TYR . 54.3 Cg_endo -69.78 161.78 44.63 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.665 2.244 . . . . 0.0 112.387 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 126.32 13.16 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.681 2.254 . . . . 0.0 112.355 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.418 ' OE2' ' CE ' ' A' ' 38' ' ' LYS . 11.7 pt-20 -111.77 177.62 4.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -53.5 -49.09 68.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.502 HG12 ' H ' ' A' ' 34' ' ' ARG . 59.0 t -93.33 117.29 36.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.084 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.459 ' HG3' ' CZ2' ' A' ' 36' ' ' TRP . 6.0 tp10 -64.84 -42.58 94.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.5 t -55.3 -58.88 5.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.839 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.502 ' H ' HG12 ' A' ' 31' ' ' VAL . 28.8 mtt180 -43.97 -47.89 8.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.883 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 66.3 ttt180 -49.23 -63.91 0.96 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.668 ' CZ3' HG21 ' A' ' 55' ' ' VAL . 8.7 m95 -46.69 -47.14 20.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.926 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 21.0 tp60 -51.42 -46.54 62.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.94 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.478 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 43.4 mttm -58.48 -60.15 4.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.59 HG23 ' HB3' ' A' ' 22' ' ' LEU . 24.5 mt -52.17 -48.17 43.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.153 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -51.61 -57.52 8.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.074 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -38.16 -47.79 1.19 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.822 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -59.08 -49.32 78.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.418 HD22 ' CD ' ' A' ' 15' ' ' GLU . 85.6 mt -61.68 -52.44 64.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 94.73 -58.48 1.84 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 28.2 m-20 -67.93 -43.24 79.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.866 0.365 . . . . 0.0 110.91 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.56 ' HG3' ' CH2' ' A' ' 11' ' ' TRP . 15.6 mmp_? -83.63 160.31 21.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.885 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.459 ' O ' HG23 ' A' ' 51' ' ' VAL . 8.2 p -128.02 169.19 14.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.145 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -48.41 -26.41 2.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.091 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.2 mmtt -79.6 -65.81 0.95 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -48.49 -28.47 3.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.942 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.953 ' O ' HG23 ' A' ' 55' ' ' VAL . 86.3 t -81.33 -37.81 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.085 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.73 -49.67 76.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.045 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -66.43 -42.0 88.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.817 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.455 ' HG3' ' CE1' ' A' ' 58' ' ' TYR . 4.5 tp60 -60.94 -46.89 88.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.953 HG23 ' O ' ' A' ' 51' ' ' VAL . 92.6 t -53.35 -37.48 29.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 47.9 mm-40 -57.5 -48.44 79.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.5 mttp -83.91 23.61 1.0 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.956 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.455 ' CE1' ' HG3' ' A' ' 54' ' ' GLN . 3.1 m-85 -121.96 -33.48 3.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.401 ' N ' ' CD1' ' A' ' 59' ' ' PHE . 2.4 m-85 -110.76 -44.45 3.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 79.0 mt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.133 179.962 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.538 ' CZ2' ' HG3' ' A' ' 46' ' ' ARG . 12.4 m95 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.84 0.353 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.564 HG23 ' H ' ' A' ' 15' ' ' GLU . 10.3 t -119.54 139.93 51.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.411 HG13 ' N ' ' A' ' 14' ' ' GLU . 7.2 p -36.68 -41.52 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.136 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.411 ' N ' HG13 ' A' ' 13' ' ' VAL . 6.2 mm-40 -58.33 -43.96 88.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.564 ' H ' HG23 ' A' ' 12' ' ' THR . 0.0 OUTLIER -80.6 -53.17 6.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.94 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 15' ' ' GLU . 91.0 mt-30 -37.01 -53.15 0.97 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.6 ptmm? -69.03 -38.45 79.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.547 ' CD ' HD11 ' A' ' 22' ' ' LEU . 1.9 tmtp? -57.33 -45.77 83.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.632 HD23 ' CE2' ' A' ' 58' ' ' TYR . 24.8 tp -55.7 -51.51 67.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.946 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -42.07 -49.97 4.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.828 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -63.64 -44.61 93.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.547 HD11 ' CD ' ' A' ' 18' ' ' LYS . 22.4 mt -60.14 -60.24 4.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.468 ' HG ' ' CD1' ' A' ' 19' ' ' LEU . 38.0 mt -34.67 -47.06 0.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 18.5 mt -67.29 -42.36 87.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.487 ' N ' ' O ' ' A' ' 22' ' ' LEU . 13.5 tttp -62.62 -38.62 90.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.528 ' CE1' ' HB3' ' A' ' 38' ' ' LYS . 51.9 m-85 -104.78 92.73 5.39 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.682 0.753 . . . . 0.0 110.924 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 166.86 26.27 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.637 2.225 . . . . 0.0 112.315 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 111.97 2.94 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.702 2.268 . . . . 0.0 112.364 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.43 ' O ' ' C ' ' A' ' 30' ' ' GLU . 9.1 pt-20 -97.14 179.43 4.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.908 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.719 ' HG3' HG23 ' A' ' 31' ' ' VAL . 6.0 pt-20 -36.03 -48.55 0.6 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.719 HG23 ' HG3' ' A' ' 30' ' ' GLU . 1.8 t -111.02 152.14 13.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.165 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.601 ' O ' ' CD1' ' A' ' 36' ' ' TRP . 0.0 OUTLIER -99.62 -21.26 15.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.408 ' H ' HG12 ' A' ' 31' ' ' VAL . 72.1 m -75.91 -19.4 58.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.452 ' CD ' ' N ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -87.7 -46.43 9.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.919 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 34.9 ttt180 -46.35 -41.09 12.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.857 ' CZ3' HG21 ' A' ' 55' ' ' VAL . 11.9 m95 -63.65 -38.02 89.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -57.34 -46.39 83.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.528 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 52.5 mttm -63.93 -45.9 87.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 38.6 mt -61.13 -54.17 38.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.158 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -47.32 -50.72 21.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -46.17 -50.01 16.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.826 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -55.54 -49.65 72.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.522 HD23 ' HD2' ' A' ' 18' ' ' LYS . 20.6 mt -60.41 -58.8 6.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.53 -30.79 6.56 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.427 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -87.07 -47.11 9.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.82 0.343 . . . . 0.0 110.843 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.538 ' HG3' ' CZ2' ' A' ' 11' ' ' TRP . 8.7 mmt180 -86.8 -178.79 6.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.882 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.508 ' O ' HG23 ' A' ' 51' ' ' VAL . 50.5 p -138.22 157.6 45.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.114 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 47' ' ' THR . . . -34.21 -58.51 0.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.126 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.425 ' O ' ' N ' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -54.65 -70.0 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -39.01 -39.29 0.53 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.944 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.651 ' O ' HG23 ' A' ' 55' ' ' VAL . 99.1 t -68.83 -43.04 82.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.114 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 49' ' ' LYS . . . -56.59 -41.63 77.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.065 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.7 t -70.36 -38.52 74.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.858 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.49 ' HG3' ' CE1' ' A' ' 58' ' ' TYR . 6.1 tp60 -66.54 -30.2 70.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.87 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.857 HG21 ' CZ3' ' A' ' 36' ' ' TRP . 79.1 t -64.06 -47.51 89.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.119 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.488 ' OE1' ' CG ' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -51.97 -39.33 59.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.488 ' CG ' ' OE1' ' A' ' 56' ' ' GLN . 33.3 mttt -88.47 20.82 3.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.632 ' CE2' HD23 ' A' ' 19' ' ' LEU . 2.8 m-85 -121.18 -22.4 6.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.4 ' HE1' HD13 ' A' ' 23' ' ' LEU . 2.5 m-85 -121.93 -30.94 4.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.912 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 35.2 mt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.085 -179.957 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.588 ' CG ' ' NE2' ' A' ' 54' ' ' GLN . 12.2 m95 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.893 0.378 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.59 HG23 ' H ' ' A' ' 15' ' ' GLU . 12.7 t -118.32 154.84 31.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.124 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.533 HG13 ' N ' ' A' ' 14' ' ' GLU . 6.1 p -46.52 -49.43 6.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.11 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.533 ' N ' HG13 ' A' ' 13' ' ' VAL . 31.0 mm-40 -51.34 -46.95 62.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.59 ' H ' HG23 ' A' ' 12' ' ' THR . 30.5 mt-10 -68.41 -50.08 55.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -43.3 -48.42 6.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.903 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.487 ' NZ ' HG22 ' A' ' 13' ' ' VAL . 8.2 ptpp? -76.76 -34.87 58.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.867 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.5 tttp -63.67 -66.19 0.58 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 20' ' ' GLU . 10.8 tp -44.17 -58.6 2.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.637 ' O ' HD12 ' A' ' 24' ' ' ILE . 43.3 mt-10 -37.89 -56.75 1.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -59.91 -42.89 94.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.926 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.403 HD13 HG23 ' A' ' 39' ' ' ILE . 30.6 mt -59.45 -38.28 80.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.442 ' O ' ' NH2' ' A' ' 35' ' ' ARG . 73.1 mt -54.15 -51.15 65.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.637 HD12 ' O ' ' A' ' 20' ' ' GLU . 5.3 mp -72.34 -44.13 63.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.3 tttp -56.53 -34.21 66.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.866 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -94.48 122.44 61.04 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.721 0.772 . . . . 0.0 110.909 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 170.1 17.38 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.711 2.274 . . . . 0.0 112.334 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 166.51 27.3 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.666 2.244 . . . . 0.0 112.372 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.499 ' N ' ' OE1' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -139.59 -178.04 5.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.877 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -71.09 -47.69 56.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.91 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.473 ' HB ' ' CG ' ' A' ' 34' ' ' ARG . 22.6 t -117.02 117.73 56.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.132 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.525 ' HG2' ' CE2' ' A' ' 36' ' ' TRP . 6.8 tt0 -32.85 -64.9 0.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.862 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 32' ' ' GLU . 5.4 p -35.85 -56.93 0.69 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.826 -179.748 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.473 ' CG ' ' HB ' ' A' ' 31' ' ' VAL . 23.1 mmt180 -39.66 -51.79 2.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.835 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.442 ' NH2' ' O ' ' A' ' 23' ' ' LEU . 72.1 ttt180 -52.45 -67.14 0.28 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.525 ' CE2' ' HG2' ' A' ' 32' ' ' GLU . 5.5 m95 -44.92 -46.79 11.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.626 ' HA ' ' HB2' ' A' ' 48' ' ' ALA . 2.0 tp-100 -49.19 -34.11 13.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.89 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.5 mttm -75.81 -59.55 2.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.403 HG23 HD13 ' A' ' 22' ' ' LEU . 50.5 mt -48.36 -42.16 11.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.099 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -53.54 -54.28 39.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.083 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -39.42 -48.04 1.88 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -57.06 -53.39 58.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.487 HD13 ' HB2' ' A' ' 46' ' ' ARG . 58.3 mt -56.54 -48.67 76.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 85.05 -31.78 3.64 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.498 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 23.8 m-20 -93.58 -42.18 9.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.853 0.359 . . . . 0.0 110.895 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.505 ' HD2' ' CE2' ' A' ' 11' ' ' TRP . 6.1 mmp_? -86.02 160.48 19.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.444 ' O ' ' C ' ' A' ' 48' ' ' ALA . 2.3 p -125.17 157.75 35.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.166 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.626 ' HB2' ' HA ' ' A' ' 37' ' ' GLN . . . -34.39 -49.86 0.4 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.085 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.71 -68.96 0.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 71.2 mm-40 -42.7 -35.74 1.22 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.939 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.708 ' O ' HG23 ' A' ' 55' ' ' VAL . 75.7 t -73.23 -39.47 56.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.09 -49.02 77.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 61.0 m -67.48 -43.28 81.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.588 ' NE2' ' CG ' ' A' ' 11' ' ' TRP . 5.4 tp60 -55.34 -37.17 67.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.906 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.708 HG23 ' O ' ' A' ' 51' ' ' VAL . 86.6 t -66.85 -35.38 74.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -63.38 -34.52 77.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.0 mttm -97.37 14.92 24.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.406 ' C ' ' CD1' ' A' ' 59' ' ' PHE . 3.1 m-30 -115.03 -10.87 12.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.429 ' N ' ' CD1' ' A' ' 59' ' ' PHE . 2.0 m-85 -131.67 -56.14 1.0 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.916 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 59.3 mt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.107 179.984 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.53 ' CH2' ' HG3' ' A' ' 46' ' ' ARG . 11.5 m95 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.853 0.358 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.9 t -95.9 147.65 23.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.52 HG13 ' N ' ' A' ' 14' ' ' GLU . 6.9 p -38.44 -48.97 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.106 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.52 ' N ' HG13 ' A' ' 13' ' ' VAL . 17.1 mm-40 -46.04 -68.48 0.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.684 ' OE2' HD22 ' A' ' 43' ' ' LEU . 8.6 mm-40 -48.84 -54.65 14.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 15' ' ' GLU . 39.4 mt-30 -36.43 -40.45 0.24 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.923 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.7 mtmt -71.63 -65.26 0.78 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.515 ' HG2' HD11 ' A' ' 22' ' ' LEU . 33.2 tttp -42.38 -43.59 3.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.938 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.44 HD22 ' CZ3' ' A' ' 11' ' ' TRP . 39.5 tp -62.29 -46.9 86.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -53.06 -46.23 68.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 -69.21 -51.71 35.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.911 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.515 HD11 ' HG2' ' A' ' 18' ' ' LYS . 10.7 mt -52.04 -48.47 64.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.916 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.683 HD21 HG22 ' A' ' 55' ' ' VAL . 18.9 mt -40.7 -43.59 1.99 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.917 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 18.4 mt -76.37 -44.72 35.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.542 ' HD2' ' CE2' ' A' ' 26' ' ' TYR . 2.8 tmtm? -54.24 -39.41 66.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.582 ' CE1' ' HB3' ' A' ' 38' ' ' LYS . 55.3 m-85 -104.07 94.84 7.08 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.624 0.726 . . . . 0.0 110.873 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 164.44 34.55 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.681 2.254 . . . . 0.0 112.371 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 140.1 41.82 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.619 2.213 . . . . 0.0 112.35 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -133.64 173.31 11.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.662 ' HG3' HG23 ' A' ' 31' ' ' VAL . 6.4 pt-20 -42.77 -49.36 5.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.662 HG23 ' HG3' ' A' ' 30' ' ' GLU . 98.9 t -101.46 107.8 22.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.161 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.497 ' HG2' ' CE2' ' A' ' 36' ' ' TRP . 14.0 tt0 -63.51 -34.52 77.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.3 t -51.23 -60.1 3.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.4 ' H ' HG12 ' A' ' 31' ' ' VAL . 32.9 mtp180 -49.34 -52.4 28.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.864 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 55.5 ttt180 -41.27 -45.35 2.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.522 ' CZ3' HG21 ' A' ' 55' ' ' VAL . 13.7 m95 -69.73 -46.89 64.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.48 ' HA ' ' HB2' ' A' ' 48' ' ' ALA . 19.1 tp60 -52.96 -43.77 66.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.878 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.582 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 42.7 mttm -62.52 -45.99 90.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 59.8 mt -62.1 -42.13 93.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.161 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.573 ' HA ' HD12 ' A' ' 43' ' ' LEU . . . -54.7 -58.9 5.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.164 179.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 40' ' ' ALA . 10.1 t0 -34.72 -57.17 0.54 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.837 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -49.66 -56.3 10.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.684 HD22 ' OE2' ' A' ' 15' ' ' GLU . 16.1 mt -51.02 -59.58 4.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.944 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.08 -56.17 0.54 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.489 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 21.4 p-10 -77.4 -53.82 7.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.854 0.359 . . . . 0.0 110.953 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.544 ' HB2' HD13 ' A' ' 43' ' ' LEU . 2.2 mmp_? -67.54 167.33 13.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.491 ' O ' ' N ' ' A' ' 49' ' ' LYS . 10.1 t -140.46 158.6 43.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.113 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.48 ' HB2' ' HA ' ' A' ' 37' ' ' GLN . . . -37.15 -28.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.075 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.491 ' N ' ' O ' ' A' ' 47' ' ' THR . 12.7 tptt -74.76 -71.0 0.37 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.425 ' N ' ' CD ' ' A' ' 50' ' ' GLN . 0.5 OUTLIER -51.08 -36.76 41.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 95.0 t -63.11 -50.43 79.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.123 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.94 -49.86 65.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.083 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 37.4 p -62.61 -28.37 69.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.416 ' O ' ' CD1' ' A' ' 58' ' ' TYR . 20.5 tp60 -76.72 -39.25 52.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.683 HG22 HD21 ' A' ' 23' ' ' LEU . 85.3 t -69.71 -46.18 75.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.483 ' HG3' ' N ' ' A' ' 57' ' ' LYS . 2.6 pt20 -55.14 -37.18 66.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.483 ' N ' ' HG3' ' A' ' 56' ' ' GLN . 58.4 mttt -89.73 19.56 4.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.416 ' CD1' ' O ' ' A' ' 54' ' ' GLN . 2.8 m-30 -116.78 -47.32 2.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.404 ' N ' ' CD1' ' A' ' 59' ' ' PHE . 2.2 m-85 -91.89 -31.7 15.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.886 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 10.6 mt . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.144 179.926 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 6.7 m95 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.866 0.365 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.495 ' CG2' ' OE2' ' A' ' 15' ' ' GLU . 7.4 t -107.63 142.42 37.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.428 ' C ' ' O ' ' A' ' 12' ' ' THR . 73.1 t -34.21 -52.73 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.163 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -45.51 -60.99 1.87 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.495 ' OE2' ' CG2' ' A' ' 12' ' ' THR . 0.0 OUTLIER -61.6 -50.37 72.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 -179.894 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 15' ' ' GLU . 19.6 mt-30 -36.33 -67.62 0.16 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -66.45 -53.4 35.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 32.1 tttp -39.4 -36.9 0.4 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.6 tp -74.0 -58.94 2.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.953 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.492 ' HA ' HD12 ' A' ' 23' ' ' LEU . 19.5 mt-10 -42.83 -42.96 3.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.836 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -68.45 -47.61 66.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.437 HD13 HG23 ' A' ' 39' ' ' ILE . 49.2 mt -56.55 -43.26 79.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.492 HD12 ' HA ' ' A' ' 20' ' ' GLU . 11.2 mt -48.36 -52.28 22.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.956 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 33.5 mt -62.86 -42.73 97.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.14 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 52.6 tttt -53.68 -56.59 16.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.556 ' CE1' ' HB3' ' A' ' 38' ' ' LYS . 71.5 m-85 -79.89 122.04 82.86 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.673 0.749 . . . . 0.0 110.921 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 160.32 50.14 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.641 2.227 . . . . 0.0 112.317 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 143.06 49.68 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.719 2.279 . . . . 0.0 112.353 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.473 ' OE1' ' N ' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -128.18 -174.27 3.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.9 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -85.2 -33.47 22.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.493 ' O ' ' N ' ' A' ' 33' ' ' SER . 97.4 t -109.47 87.79 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.166 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.523 ' HB2' ' CE2' ' A' ' 36' ' ' TRP . 23.0 pm0 -36.39 -29.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 31' ' ' VAL . 1.1 t -50.47 -70.65 0.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.829 -179.77 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -48.24 -32.38 7.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.853 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 21.6 ttt180 -65.07 -40.71 95.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.774 ' CZ3' HG21 ' A' ' 55' ' ' VAL . 9.7 m95 -74.03 -41.55 61.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 43.9 tp60 -54.89 -51.85 64.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.556 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 32.8 mttm -53.72 -52.77 59.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.87 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.437 HG23 HD13 ' A' ' 22' ' ' LEU . 24.5 mt -58.25 -44.06 87.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.16 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -53.83 -53.3 54.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.102 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -42.45 -53.28 4.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -50.75 -46.36 59.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.618 HD13 ' HB2' ' A' ' 46' ' ' ARG . 19.7 mt -64.19 -42.04 96.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.951 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 81.37 -42.49 2.77 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.502 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -86.34 -45.13 11.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.807 0.337 . . . . 0.0 110.926 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.618 ' HB2' HD13 ' A' ' 43' ' ' LEU . 63.8 mmt-85 -77.89 164.71 24.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.416 ' O ' ' C ' ' A' ' 48' ' ' ALA . 24.9 p -129.16 160.44 32.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 47' ' ' THR . . . -35.74 -56.25 0.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.051 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.49 ' O ' ' N ' ' A' ' 52' ' ' ALA . 8.2 mmmt -54.66 -70.1 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.93 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 49' ' ' LYS . 80.2 mm-40 -38.16 -36.63 0.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.665 ' O ' HG23 ' A' ' 55' ' ' VAL . 85.0 t -75.17 -39.93 43.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.077 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.49 ' N ' ' O ' ' A' ' 49' ' ' LYS . . . -58.78 -53.04 62.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.102 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 21.7 m -57.35 -41.15 79.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.847 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 8.6 tp60 -63.05 -49.9 72.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.774 HG21 ' CZ3' ' A' ' 36' ' ' TRP . 85.7 t -53.3 -34.93 23.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.159 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -56.76 -53.68 55.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.8 mttm -75.0 5.17 5.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -101.39 -33.16 10.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -111.12 -40.97 4.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 49.7 mt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.161 179.971 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.516 ' CH2' ' HG3' ' A' ' 46' ' ' ARG . 12.0 m95 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.907 0.384 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.1 p -88.32 176.37 7.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.126 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.519 HG13 ' N ' ' A' ' 14' ' ' GLU . 7.4 p -63.29 -48.05 89.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.144 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.519 ' N ' HG13 ' A' ' 13' ' ' VAL . 70.6 mt-10 -61.64 -53.38 56.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.894 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.63 -51.51 69.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.872 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -44.07 -69.08 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.425 ' HG3' ' N ' ' A' ' 18' ' ' LYS . 3.7 pttm -52.34 -32.38 37.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.425 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 32.1 tttt -63.78 -43.74 95.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.402 ' HB2' ' CZ3' ' A' ' 11' ' ' TRP . 18.9 tp -58.99 -53.25 60.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.937 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -49.41 -51.25 36.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -59.02 -41.98 89.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.923 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.642 HD13 HG23 ' A' ' 39' ' ' ILE . 21.5 mt -63.03 -50.7 69.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.963 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.493 HD13 ' HE1' ' A' ' 59' ' ' PHE . 29.3 mt -50.28 -47.97 55.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.914 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 20.5 mt -65.47 -42.63 93.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.129 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.8 tttp -58.82 -58.34 9.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -78.19 117.08 63.9 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.668 0.747 . . . . 0.0 110.879 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 150.83 68.61 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.648 2.232 . . . . 0.0 112.347 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 118.11 5.49 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.681 2.254 . . . . 0.0 112.285 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 30' ' ' GLU . 11.8 pt-20 -99.04 165.76 11.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.669 ' HG3' HG23 ' A' ' 31' ' ' VAL . 11.7 pt-20 -37.49 -50.58 1.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.669 HG23 ' HG3' ' A' ' 30' ' ' GLU . 86.9 t -88.46 150.7 3.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.427 ' HG2' ' CZ2' ' A' ' 36' ' ' TRP . 34.9 tt0 -94.66 -35.61 12.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 89.4 p -61.71 -50.92 70.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 74.5 mtt180 -52.75 -48.89 66.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.873 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -45.19 -43.35 10.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.827 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.427 ' CZ2' ' HG2' ' A' ' 32' ' ' GLU . 6.4 m95 -69.9 -36.2 75.22 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.948 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.606 HE21 ' HB2' ' A' ' 48' ' ' ALA . 5.9 mm-40 -58.3 -49.33 77.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 36.6 mttm -59.22 -44.9 92.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.845 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.642 HG23 HD13 ' A' ' 22' ' ' LEU . 29.6 mt -61.67 -55.58 23.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.12 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.427 ' O ' ' C ' ' A' ' 41' ' ' ASP . . . -45.67 -52.0 11.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.11 179.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 40' ' ' ALA . 13.8 t0 -36.02 -56.07 0.74 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -53.9 -56.62 16.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.453 HD13 ' HB2' ' A' ' 46' ' ' ARG . 20.6 mt -51.35 -54.81 22.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 90.21 -45.2 2.97 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.483 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -78.8 -45.66 20.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.839 0.352 . . . . 0.0 110.869 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.516 ' HG3' ' CH2' ' A' ' 11' ' ' TRP . 51.2 mmt-85 -81.06 171.83 14.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.582 ' O ' HG23 ' A' ' 51' ' ' VAL . 42.0 p -138.71 158.24 44.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.152 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.606 ' HB2' HE21 ' A' ' 37' ' ' GLN . . . -34.21 -53.55 0.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.071 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.408 ' O ' ' N ' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -58.28 -70.23 0.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.899 179.94 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -42.08 -31.89 0.41 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.979 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.715 ' O ' HG23 ' A' ' 55' ' ' VAL . 93.1 t -75.4 -40.05 41.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.126 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 49' ' ' LYS . . . -57.12 -49.0 77.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.085 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.1 t -55.3 -46.62 76.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.527 ' HG3' ' CE1' ' A' ' 58' ' ' TYR . 7.7 tp60 -61.64 -46.84 88.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.894 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.715 HG23 ' O ' ' A' ' 51' ' ' VAL . 96.7 t -51.22 -41.06 23.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.111 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -55.01 -48.29 73.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.0 mttp -84.39 27.46 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.917 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.527 ' CE1' ' HG3' ' A' ' 54' ' ' GLN . 4.2 m-85 -127.68 -31.85 2.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.493 ' HE1' HD13 ' A' ' 23' ' ' LEU . 2.3 m-85 -113.57 -43.12 3.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 75.9 mt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.135 179.995 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.532 ' CZ2' ' HG2' ' A' ' 54' ' ' GLN . 8.2 m95 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.873 0.368 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 13' ' ' VAL . 10.0 t -96.2 141.86 29.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.152 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.445 ' C ' ' O ' ' A' ' 12' ' ' THR . 90.5 t -33.73 -72.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.106 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.457 ' HA ' ' CE ' ' A' ' 17' ' ' LYS . 19.5 pt-20 -34.03 -45.02 0.19 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.432 ' H ' HG23 ' A' ' 12' ' ' THR . 0.1 OUTLIER -70.64 -49.63 45.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.93 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -42.82 -56.28 3.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.87 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.457 ' CE ' ' HA ' ' A' ' 14' ' ' GLU . 29.5 pttt -70.95 -46.76 61.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.456 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 33.1 tttp -46.3 -44.04 16.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.426 HD22 ' CH2' ' A' ' 11' ' ' TRP . 13.7 tp -63.92 -49.18 73.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -50.93 -43.42 60.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -66.67 -57.91 6.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 23' ' ' LEU . 10.1 mt -46.23 -52.55 12.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.52 HD21 HG22 ' A' ' 55' ' ' VAL . 28.8 mt -37.36 -46.0 0.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 26.3 mt -79.65 -39.58 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.164 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.9 tttm -50.56 -53.96 26.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.501 ' CE1' ' HB3' ' A' ' 38' ' ' LYS . 79.4 m-85 -86.4 122.11 72.18 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.692 0.758 . . . . 0.0 110.915 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 168.24 22.08 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.688 2.258 . . . . 0.0 112.343 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 164.52 34.2 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.669 2.246 . . . . 0.0 112.374 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.464 ' OE1' ' C ' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -146.43 -174.98 4.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -82.54 -32.52 28.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.464 ' C ' ' OE1' ' A' ' 29' ' ' GLU . 39.1 t -108.36 92.17 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.126 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.519 ' HG2' ' CZ2' ' A' ' 36' ' ' TRP . 19.0 tt0 -40.88 -27.48 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 31' ' ' VAL . 2.6 m -65.74 -67.77 0.42 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -42.97 -32.55 0.66 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.415 ' HB2' ' CG ' ' A' ' 29' ' ' GLU . 50.1 ttt180 -59.04 -57.7 11.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.841 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.549 ' CZ3' HG21 ' A' ' 55' ' ' VAL . 10.8 m95 -53.69 -32.78 53.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.449 ' HG2' ' HB2' ' A' ' 48' ' ' ALA . 4.6 mm-40 -61.96 -49.63 75.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.925 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.501 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 45.9 mttt -56.03 -41.32 74.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 22.7 mt -70.13 -55.33 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.46 -50.1 32.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.077 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -43.38 -49.52 6.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -58.19 -45.92 86.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.516 HD13 ' HB2' ' A' ' 46' ' ' ARG . 9.9 mt -60.24 -46.31 90.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 80.98 -38.8 2.39 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.484 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -85.62 -38.29 18.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.837 0.351 . . . . 0.0 110.896 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.516 ' HB2' HD13 ' A' ' 43' ' ' LEU . 15.9 mmt-85 -89.01 176.02 7.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.834 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.44 ' OG1' ' NE2' ' A' ' 50' ' ' GLN . 57.9 p -137.81 160.65 38.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.449 ' HB2' ' HG2' ' A' ' 37' ' ' GLN . . . -43.36 -36.46 1.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.116 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -72.24 -66.18 0.68 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.478 ' OE1' ' N ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -42.22 -38.12 1.67 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.456 ' O ' HG23 ' A' ' 55' ' ' VAL . 93.7 t -72.41 -39.37 62.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.109 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.4 -45.16 69.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.064 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 71.4 m -74.7 -29.72 61.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.532 ' HG2' ' CZ2' ' A' ' 11' ' ' TRP . 7.9 tp60 -71.44 -37.08 71.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.927 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.549 HG21 ' CZ3' ' A' ' 36' ' ' TRP . 78.8 t -69.56 -50.27 52.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.081 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.692 ' HB2' HD12 ' A' ' 60' ' ' ILE . 6.1 pt20 -54.15 -34.12 59.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.461 ' N ' ' HG3' ' A' ' 56' ' ' GLN . 48.7 mttp -89.62 15.85 8.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.404 ' CD1' ' O ' ' A' ' 54' ' ' GLN . 2.7 m-85 -118.85 -25.78 6.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.931 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.423 ' N ' ' CD1' ' A' ' 59' ' ' PHE . 2.1 m-85 -116.98 -40.59 3.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.885 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.692 HD12 ' HB2' ' A' ' 56' ' ' GLN . 11.2 mt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.119 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.532 ' CH2' ' HG3' ' A' ' 46' ' ' ARG . 11.5 m95 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.859 0.361 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.826 HG22 ' OE1' ' A' ' 15' ' ' GLU . 8.9 t -83.49 140.69 32.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.133 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.448 ' C ' ' O ' ' A' ' 12' ' ' THR . 95.1 t -33.99 -48.85 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.427 ' HA ' ' HZ2' ' A' ' 17' ' ' LYS . 48.8 mm-40 -54.71 -52.48 62.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.826 ' OE1' HG22 ' A' ' 12' ' ' THR . 64.5 mt-10 -64.85 -50.62 65.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -42.95 -69.33 0.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.914 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.467 ' HG3' ' N ' ' A' ' 18' ' ' LYS . 16.4 pttp -57.41 -45.45 84.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.467 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 15.6 tttp -46.4 -62.11 1.5 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.3 tp -45.81 -55.97 5.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -38.82 -44.73 1.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 44.2 mm-40 -69.45 -51.5 35.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.463 HD13 HG23 ' A' ' 39' ' ' ILE . 78.5 mt -51.38 -44.8 62.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.932 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.0 mt -49.17 -46.4 45.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.942 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 32.2 mt -64.33 -47.0 91.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.121 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.6 tttp -59.43 -40.49 86.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.569 ' CE1' ' HB3' ' A' ' 38' ' ' LYS . 52.9 m-85 -104.93 92.18 5.03 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.613 0.721 . . . . 0.0 110.924 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 167.35 24.73 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.666 2.244 . . . . 0.0 112.321 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 145.68 57.9 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.678 2.252 . . . . 0.0 112.316 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -137.09 -175.72 4.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.5 ' HG3' HG23 ' A' ' 31' ' ' VAL . 8.2 pt-20 -53.78 -42.54 68.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.847 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.5 HG23 ' HG3' ' A' ' 30' ' ' GLU . 43.2 t -108.9 107.39 22.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.091 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -64.2 -34.87 79.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 58.3 m -51.92 -57.65 8.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.893 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 29.4 mtt-85 -52.48 -51.56 58.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.918 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 45.3 ttt180 -40.84 -55.49 2.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.847 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.559 ' CZ3' HG21 ' A' ' 55' ' ' VAL . 8.0 m95 -55.48 -50.16 70.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 11.1 tp60 -47.13 -44.67 21.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.928 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.569 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 54.5 mttm -60.21 -48.86 79.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.463 HG23 HD13 ' A' ' 22' ' ' LEU . 42.2 mt -60.89 -50.22 81.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.16 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 41' ' ' ASP . . . -50.77 -58.2 6.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 179.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 40' ' ' ALA . 13.4 t0 -35.34 -51.78 0.6 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -57.75 -54.01 51.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.3 mt -54.65 -49.86 69.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.909 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 82.77 -51.29 4.53 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.476 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -68.65 -42.63 77.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.818 0.342 . . . . 0.0 110.855 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.532 ' HG3' ' CH2' ' A' ' 11' ' ' TRP . 79.4 mmt-85 -89.8 172.25 9.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.449 ' O ' ' C ' ' A' ' 48' ' ' ALA . 32.0 p -130.23 156.73 44.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.144 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 47' ' ' THR . . . -34.08 -57.81 0.47 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.069 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.401 ' HD3' ' C ' ' A' ' 49' ' ' LYS . 0.3 OUTLIER -50.78 -66.49 0.38 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.876 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -40.54 -50.53 2.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.771 ' O ' HG23 ' A' ' 55' ' ' VAL . 80.3 t -54.22 -45.42 67.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.155 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.04 -48.24 73.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.071 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.2 m -57.92 -42.2 84.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.828 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -68.08 -40.74 82.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.771 HG23 ' O ' ' A' ' 51' ' ' VAL . 96.2 t -54.13 -37.62 35.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.113 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -58.15 -46.23 86.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -81.49 16.08 1.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 2.8 m-30 -116.0 -26.24 7.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.97 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -117.95 -26.62 6.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.913 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 36.1 mt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.084 -179.994 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.561 ' CZ2' ' HD2' ' A' ' 46' ' ' ARG . 14.2 m95 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.832 0.348 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.465 ' O ' ' C ' ' A' ' 13' ' ' VAL . 3.3 t -110.37 142.61 41.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.115 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.465 ' C ' ' O ' ' A' ' 12' ' ' THR . 69.9 t -32.87 -58.03 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.124 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -40.38 -66.64 0.3 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -58.25 -48.8 79.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -40.08 -68.47 0.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.5 -39.32 94.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.941 ' HD2' HD23 ' A' ' 43' ' ' LEU . 6.0 tmtm? -58.49 -27.27 64.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.877 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 20.4 tp -82.93 -51.66 7.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -40.9 -42.51 1.86 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -66.85 -54.0 26.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.471 HD12 ' HD3' ' A' ' 18' ' ' LYS . 10.3 mt -54.15 -48.71 70.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.738 HD21 HG22 ' A' ' 55' ' ' VAL . 7.4 mt -39.94 -47.79 2.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 18.2 mt -69.8 -46.97 72.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.14 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.58 ' HD2' ' CE2' ' A' ' 26' ' ' TYR . 1.8 tmtm? -50.92 -50.54 57.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.58 ' CE2' ' HD2' ' A' ' 25' ' ' LYS . 59.9 m-85 -92.42 106.96 20.29 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.72 0.771 . . . . 0.0 110.924 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 160.39 49.88 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.68 2.253 . . . . 0.0 112.344 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 152.3 69.35 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.705 2.27 . . . . 0.0 112.37 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.449 ' O ' ' C ' ' A' ' 30' ' ' GLU . 14.9 pt-20 -144.55 155.36 43.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 29' ' ' GLU . 1.7 tm-20 -34.43 -50.27 0.42 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.908 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.4 HG12 ' HB3' ' A' ' 33' ' ' SER . 45.7 t -100.58 94.41 3.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.122 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.494 ' HB2' ' CE2' ' A' ' 36' ' ' TRP . 6.2 pt-20 -50.27 -37.3 35.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.4 ' HB3' HG12 ' A' ' 31' ' ' VAL . 33.5 t -44.4 -54.11 6.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.853 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 51.6 mtt-85 -52.78 -45.09 67.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.834 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.499 HH21 HD23 ' A' ' 23' ' ' LEU . 61.2 ttt180 -55.95 -60.67 3.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.826 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.978 ' CZ3' HG21 ' A' ' 55' ' ' VAL . 5.5 m95 -50.61 -37.45 40.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.938 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 55.3 tp60 -61.47 -45.04 95.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.535 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 65.1 mttt -60.1 -47.52 85.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.434 HG23 HD13 ' A' ' 22' ' ' LEU . 25.2 mt -65.28 -52.42 52.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.172 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -43.04 -43.72 4.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.096 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -53.75 -50.65 65.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -60.91 -48.79 80.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.941 HD23 ' HD2' ' A' ' 18' ' ' LYS . 10.3 mt -55.9 -45.37 78.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 77.47 -50.13 3.14 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.507 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 54.3 m-20 -73.5 -46.17 49.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.829 0.347 . . . . 0.0 110.868 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.561 ' HD2' ' CZ2' ' A' ' 11' ' ' TRP . 8.4 mmt180 -90.66 151.11 21.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.493 HG22 ' HG2' ' A' ' 50' ' ' GLN . 1.6 t -107.23 163.61 12.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.127 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -37.69 -49.65 1.15 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.045 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -53.84 -69.46 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.917 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.493 ' HG2' HG22 ' A' ' 47' ' ' THR . 22.4 mm-40 -40.42 -40.08 1.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.809 ' O ' HG23 ' A' ' 55' ' ' VAL . 93.1 t -67.94 -39.65 82.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.152 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 49' ' ' LYS . . . -58.56 -57.67 11.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.059 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 47.7 m -61.78 -38.21 87.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.493 ' CD ' ' CE1' ' A' ' 58' ' ' TYR . 4.0 tp-100 -61.76 -47.48 84.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.915 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.978 HG21 ' CZ3' ' A' ' 36' ' ' TRP . 98.5 t -57.08 -35.89 49.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.158 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -58.34 -51.24 70.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 46.2 mtpt -78.63 10.17 3.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.493 ' CE1' ' CD ' ' A' ' 54' ' ' GLN . 2.7 m-85 -105.16 -32.48 8.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.409 ' CD1' ' N ' ' A' ' 59' ' ' PHE . 2.3 m-85 -110.5 -38.78 5.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.869 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 61.3 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.131 179.946 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.534 ' NE1' ' NH1' ' A' ' 46' ' ' ARG . 31.1 m95 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.832 0.349 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.435 ' O ' ' N ' ' A' ' 15' ' ' GLU . 9.5 t -111.92 145.18 40.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.117 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.417 ' C ' ' O ' ' A' ' 12' ' ' THR . 14.5 p -36.65 -37.1 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.11 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -57.43 -46.56 83.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.922 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.446 ' HB3' ' CZ3' ' A' ' 11' ' ' TRP . 10.2 mm-40 -80.61 -38.37 29.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -53.6 -44.69 69.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.6 ptmt -78.45 -47.42 17.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 51.5 tttt -53.65 -58.65 6.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 22.1 tp -46.95 -53.83 11.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -41.2 -44.45 2.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.89 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 65.6 mm-40 -66.96 -43.63 82.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 23' ' ' LEU . 9.9 mt -63.02 -55.36 26.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.488 HD21 HG22 ' A' ' 55' ' ' VAL . 11.2 mt -38.31 -47.34 1.2 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 47.0 mt -71.12 -49.87 45.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.166 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.54 ' HD3' ' CE2' ' A' ' 26' ' ' TYR . 26.5 tttp -49.62 -43.62 46.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.54 ' CE2' ' HD3' ' A' ' 25' ' ' LYS . 72.4 m-85 -100.11 100.57 11.9 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.678 0.752 . . . . 0.0 110.91 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 167.05 25.53 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.709 2.273 . . . . 0.0 112.336 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 124.96 11.57 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.67 2.247 . . . . 0.0 112.342 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.451 ' O ' ' C ' ' A' ' 30' ' ' GLU . 6.5 pt-20 -119.97 159.51 24.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.681 ' HG3' HG23 ' A' ' 31' ' ' VAL . 13.2 pt-20 -34.33 -50.26 0.41 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.896 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.681 HG23 ' HG3' ' A' ' 30' ' ' GLU . 85.2 t -92.63 135.28 28.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.12 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.52 ' HG2' ' CE2' ' A' ' 36' ' ' TRP . 7.9 tt0 -92.81 -32.2 14.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.0 t -57.96 -63.59 1.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.473 ' HG3' ' N ' ' A' ' 35' ' ' ARG . 14.1 ptp180 -49.3 -39.98 33.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.473 ' N ' ' HG3' ' A' ' 34' ' ' ARG . 63.9 ttt180 -54.51 -42.46 70.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.776 ' CZ3' HG21 ' A' ' 55' ' ' VAL . 13.8 m95 -74.61 -35.81 62.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.482 ' HA ' ' HB2' ' A' ' 48' ' ' ALA . 7.5 tp60 -57.94 -38.02 75.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.928 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 40.6 mttt -69.31 -61.45 1.78 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 53.3 mt -45.77 -47.88 4.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.115 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.516 ' HB1' ' HA ' ' A' ' 47' ' ' THR . . . -63.43 -69.18 0.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.161 179.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -44.13 -28.03 0.45 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -71.36 -41.54 69.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.493 HD13 ' HB2' ' A' ' 46' ' ' ARG . 10.5 mt -62.58 -57.25 11.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 116.96 -29.26 6.91 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.5 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -108.65 -56.67 2.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.819 0.342 . . . . 0.0 110.875 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.534 ' NH1' ' NE1' ' A' ' 11' ' ' TRP . 7.8 mmt180 -60.57 170.67 1.33 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.516 ' HA ' ' HB1' ' A' ' 40' ' ' ALA . 7.1 p -134.47 156.06 49.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.125 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.482 ' HB2' ' HA ' ' A' ' 37' ' ' GLN . . . -36.19 -42.53 0.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 179.791 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 50' ' ' GLN . 3.3 tmtm? -64.12 -69.92 0.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.943 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 49' ' ' LYS . 35.1 mm-40 -36.96 -44.27 0.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.907 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.708 ' O ' HG23 ' A' ' 55' ' ' VAL . 98.8 t -59.52 -53.68 44.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -47.51 -62.15 1.58 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.142 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 86.9 p -47.41 -52.69 16.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.837 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 57' ' ' LYS . 3.8 tp-100 -54.48 -56.33 19.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.929 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.776 HG21 ' CZ3' ' A' ' 36' ' ' TRP . 96.8 t -36.74 -53.32 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.111 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.43 ' HB3' HD12 ' A' ' 60' ' ' ILE . 94.4 mt-30 -57.47 -40.33 78.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 54' ' ' GLN . 14.5 mmtt -77.15 8.73 3.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.424 ' CE1' ' CD ' ' A' ' 54' ' ' GLN . 3.5 m-30 -115.32 -48.52 2.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.445 ' HE1' HD13 ' A' ' 23' ' ' LEU . 2.3 m-85 -91.62 -50.95 5.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.897 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.43 HD12 ' HB3' ' A' ' 56' ' ' GLN . 12.6 mt . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.143 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.482 ' CD1' ' NE2' ' A' ' 54' ' ' GLN . 49.3 m95 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.873 0.368 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.449 ' O ' ' C ' ' A' ' 13' ' ' VAL . 10.8 t -98.68 148.48 23.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.179 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.449 ' C ' ' O ' ' A' ' 12' ' ' THR . 74.5 t -33.93 -55.19 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.162 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -46.11 -57.83 4.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.917 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.467 ' OE1' ' N ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -61.81 -53.24 58.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.925 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -37.25 -69.48 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 30.6 pttt -58.11 -45.19 87.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.943 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 31.3 tttt -47.58 -40.6 19.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 22' ' ' LEU . 13.9 tp -69.69 -61.45 1.78 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.948 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 19' ' ' LEU . 15.1 mt-10 -34.67 -39.17 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 -74.97 -44.7 46.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.936 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' ' 19' ' ' LEU . 13.6 mt -59.37 -39.03 81.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.944 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 44.0 mt -49.77 -49.61 47.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 47.7 mt -64.76 -47.12 89.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.089 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.5 ttmt -56.19 -42.66 77.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.531 ' CE1' ' HB3' ' A' ' 38' ' ' LYS . 52.7 m-85 -104.82 92.47 5.19 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.638 0.733 . . . . 0.0 110.933 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 166.18 28.46 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.651 2.234 . . . . 0.0 112.319 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 152.64 69.23 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.632 2.221 . . . . 0.0 112.381 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 30' ' ' GLU . 2.6 pt-20 -146.89 172.91 12.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 29' ' ' GLU . 9.7 tt0 -37.95 -46.53 0.99 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 94.3 t -115.86 115.41 49.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.102 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.423 ' O ' ' CD1' ' A' ' 36' ' ' TRP . 18.4 pm0 -73.72 -25.24 60.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.2 m -53.33 -54.98 28.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -61.95 -37.9 86.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.873 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 40.2 ttt180 -54.44 -50.09 68.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.612 ' CZ3' HG21 ' A' ' 55' ' ' VAL . 12.8 m95 -60.96 -37.34 82.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.957 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -58.34 -42.72 87.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.531 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 31.0 mttm -62.64 -44.75 95.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.474 HG23 HD13 ' A' ' 22' ' ' LEU . 23.9 mt -65.04 -50.9 72.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.116 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.629 ' HB1' ' O ' ' A' ' 46' ' ' ARG . . . -51.68 -56.71 12.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.148 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -47.45 -35.74 8.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.913 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -71.88 -48.47 45.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.404 HD13 ' CB ' ' A' ' 46' ' ' ARG . 3.7 mt -49.29 -38.28 26.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 121.7 -70.84 0.4 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.487 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -103.39 -40.75 6.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.814 0.34 . . . . 0.0 110.866 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.629 ' O ' ' HB1' ' A' ' 40' ' ' ALA . 9.9 mmt-85 -46.97 142.63 3.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.5 ' HA ' ' HB1' ' A' ' 40' ' ' ALA . 1.8 t -112.56 163.59 14.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.146 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -42.36 -38.11 1.75 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.104 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -60.91 -71.28 0.14 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.496 ' CB ' ' CD ' ' A' ' 46' ' ' ARG . 25.4 mm-40 -36.89 -46.33 0.62 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.928 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.876 ' O ' HG23 ' A' ' 55' ' ' VAL . 96.7 t -66.03 -41.94 90.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 49' ' ' LYS . . . -58.22 -56.01 27.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.059 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 74.8 m -58.07 -46.74 84.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.482 ' NE2' ' CD1' ' A' ' 11' ' ' TRP . 5.9 tp60 -55.62 -50.73 69.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.876 HG23 ' O ' ' A' ' 51' ' ' VAL . 86.6 t -50.2 -30.75 7.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.112 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -63.97 -54.35 35.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.904 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.4 ptpt -72.03 0.57 9.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 4.1 m-30 -102.28 -34.75 9.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -110.61 -61.46 1.67 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 53.1 mt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.149 179.958 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.569 ' CE3' ' HB3' ' A' ' 15' ' ' GLU . 19.7 m95 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.87 0.367 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.511 HG22 ' CD ' ' A' ' 15' ' ' GLU . 11.8 t -95.37 169.76 9.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.171 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.47 HG13 ' N ' ' A' ' 14' ' ' GLU . 7.0 p -51.56 -45.33 35.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.149 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.47 ' N ' HG13 ' A' ' 13' ' ' VAL . 16.0 mm-40 -55.09 -63.35 1.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.569 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 1.1 mp0 -53.77 -48.89 69.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -38.71 -67.31 0.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.66 -33.07 72.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.753 ' HG2' HD23 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -61.77 -31.61 71.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.876 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.2 tp -89.14 -43.7 10.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -55.29 -42.51 73.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -67.07 -50.31 62.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 47.2 mt -58.65 -43.41 89.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 46.0 mt -47.99 -42.37 27.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 23.5 mt -65.85 -52.3 51.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.099 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.4 tttp -55.57 -37.91 68.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.574 ' CE1' ' HB3' ' A' ' 38' ' ' LYS . 51.8 m-85 -104.51 93.15 5.56 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.714 0.769 . . . . 0.0 110.931 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 26' ' ' TYR . 54.1 Cg_endo -69.67 163.03 39.73 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.7 2.267 . . . . 0.0 112.364 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 125.19 11.86 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.685 2.256 . . . . 0.0 112.345 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.402 ' OE2' ' O ' ' A' ' 27' ' ' PRO . 2.1 pm0 -113.36 -174.86 2.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -48.61 -49.73 35.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.878 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.577 HG11 ' HD2' ' A' ' 34' ' ' ARG . 18.6 t -109.07 151.46 11.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.162 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.594 ' O ' ' CD1' ' A' ' 36' ' ' TRP . 12.5 pt-20 -99.84 -30.52 11.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 40.9 t -48.84 -66.8 0.34 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.839 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.577 ' HD2' HG11 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -55.44 -42.33 74.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 55.6 ttt180 -52.9 -37.69 60.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.841 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.594 ' CD1' ' O ' ' A' ' 32' ' ' GLU . 15.2 m95 -72.7 -27.15 61.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -67.27 -42.49 83.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.893 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.574 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 37.0 mttp -63.07 -54.87 31.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 40.1 mt -57.59 -48.64 82.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.146 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.745 ' HA ' HD12 ' A' ' 43' ' ' LEU . . . -53.1 -57.38 10.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.094 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -39.16 -49.07 1.81 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -57.82 -56.63 19.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.791 HD13 ' HB2' ' A' ' 46' ' ' ARG . 13.8 mt -42.53 -50.91 5.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 93.35 -34.29 4.67 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.466 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -99.63 -59.74 1.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.821 0.343 . . . . 0.0 110.884 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.791 ' HB2' HD13 ' A' ' 43' ' ' LEU . 67.4 mmt-85 -64.84 167.29 7.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.644 ' O ' HG23 ' A' ' 51' ' ' VAL . 13.0 t -127.57 165.15 20.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.121 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -43.14 -41.37 3.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -69.14 -70.37 0.28 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.554 ' NE2' ' CG2' ' A' ' 47' ' ' THR . 0.2 OUTLIER -40.52 -34.05 0.32 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.644 HG23 ' O ' ' A' ' 47' ' ' THR . 90.4 t -73.15 -40.57 58.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 49' ' ' LYS . . . -58.1 -47.05 84.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 11.5 m -61.48 -49.69 75.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.885 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 14.9 tp60 -51.0 -47.74 61.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.95 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.562 HG21 ' CZ3' ' A' ' 36' ' ' TRP . 76.5 t -53.52 -41.02 43.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.129 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -52.16 -51.14 59.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 45.2 mttt -83.81 21.74 1.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -121.18 -37.55 2.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.936 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.409 ' N ' ' CD1' ' A' ' 59' ' ' PHE . 2.2 m-85 -106.05 -51.6 2.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.866 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 62.5 mt . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.153 179.968 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 t -38.57 -57.29 1.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.85 0.357 . . . . 0.0 110.888 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t 50.32 41.88 25.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.835 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.81 158.12 14.98 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.471 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -149.66 174.3 12.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.856 0.36 . . . . 0.0 110.899 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.0 m -88.13 177.13 6.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.47 136.35 2.29 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.479 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.431 ' C ' ' OD1' ' A' ' 8' ' ' ASN . 20.6 t-20 -68.38 -52.61 31.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.802 0.334 . . . . 0.0 110.835 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -131.9 40.82 3.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.94 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.5 mt -97.62 157.12 16.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.476 ' CH2' ' HG3' ' A' ' 46' ' ' ARG . 7.8 m95 -49.03 172.44 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.947 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 13' ' ' VAL . 6.2 t -120.25 142.15 49.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.132 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.499 HG13 ' N ' ' A' ' 14' ' ' GLU . 8.1 p -34.5 -46.28 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.183 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.499 ' N ' HG13 ' A' ' 13' ' ' VAL . 40.2 mt-10 -50.31 -54.47 21.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.453 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 66.3 mt-10 -71.17 -52.29 20.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 15' ' ' GLU . 77.2 mt-30 -36.4 -59.95 0.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.0 ptpt -59.75 -41.46 91.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.9 tttp -55.87 -59.45 4.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.584 HD23 ' CE2' ' A' ' 58' ' ' TYR . 37.1 tp -49.71 -59.03 4.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.526 ' HA ' HD12 ' A' ' 23' ' ' LEU . 11.5 mt-10 -36.87 -48.62 0.76 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -66.07 -59.16 4.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.952 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.631 HD13 HG23 ' A' ' 39' ' ' ILE . 69.8 mt -45.82 -38.07 6.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.526 HD12 ' HA ' ' A' ' 20' ' ' GLU . 59.1 mt -52.65 -46.43 67.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 75.1 mt -66.28 -48.77 79.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.157 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.1 tttt -59.65 -34.98 73.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.585 ' CE1' ' HB3' ' A' ' 38' ' ' LYS . 50.6 m-85 -104.61 93.11 5.6 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.66 0.743 . . . . 0.0 110.925 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 170.0 17.59 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.634 2.223 . . . . 0.0 112.361 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.444 ' HA ' ' OE2' ' A' ' 29' ' ' GLU . 54.1 Cg_endo -69.74 163.51 37.97 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.679 2.253 . . . . 0.0 112.381 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.454 ' OE2' ' N ' ' A' ' 29' ' ' GLU . 1.1 pm0 -157.54 178.51 10.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.932 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.639 ' HG3' HG23 ' A' ' 31' ' ' VAL . 11.1 pt-20 -55.24 -46.33 76.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.639 HG23 ' HG3' ' A' ' 30' ' ' GLU . 95.3 t -102.47 118.56 49.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.169 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.544 ' HG2' ' CZ2' ' A' ' 36' ' ' TRP . 10.8 tt0 -76.45 -27.42 56.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 25.2 m -62.87 -56.91 13.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.834 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.527 ' H ' HG12 ' A' ' 31' ' ' VAL . 6.7 ptm180 -54.26 -34.25 60.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.509 ' NE ' ' CZ3' ' A' ' 36' ' ' TRP . 39.3 ttt180 -58.97 -55.52 34.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.828 ' CZ3' HG21 ' A' ' 55' ' ' VAL . 11.1 m95 -58.52 -38.64 78.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.9 tp60 -54.98 -42.44 72.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.874 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.585 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 47.2 mtmt -62.77 -56.74 14.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.873 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.631 HG23 HD13 ' A' ' 22' ' ' LEU . 39.8 mt -54.2 -53.88 25.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.149 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.72 -48.05 40.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.062 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -49.26 -43.81 43.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.83 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -64.46 -48.52 74.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.683 HD13 ' HB2' ' A' ' 46' ' ' ARG . 28.7 mt -53.76 -46.3 70.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.949 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 85.2 -42.02 3.11 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.488 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -86.83 -50.12 6.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.864 0.364 . . . . 0.0 110.925 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.683 ' HB2' HD13 ' A' ' 43' ' ' LEU . 31.0 mmt-85 -75.29 167.41 21.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 48' ' ' ALA . 65.4 p -127.89 158.02 38.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.165 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 47' ' ' THR . . . -36.22 -55.98 0.77 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.053 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.8 mmtt -55.98 -66.13 0.48 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 40.0 mm-40 -41.11 -41.07 1.66 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.635 ' O ' HG23 ' A' ' 55' ' ' VAL . 98.4 t -70.39 -40.86 78.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.178 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.49 -54.74 42.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.081 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 75.6 m -56.12 -45.06 79.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.466 ' HG3' ' CE1' ' A' ' 58' ' ' TYR . 10.7 tp60 -55.63 -46.74 77.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.941 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.828 HG21 ' CZ3' ' A' ' 36' ' ' TRP . 97.6 t -53.26 -40.77 40.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.142 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.539 ' OE1' HD11 ' A' ' 60' ' ' ILE . 16.0 mm-40 -54.6 -50.27 68.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 29.0 mttm -83.23 20.45 1.28 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.584 ' CE2' HD23 ' A' ' 19' ' ' LEU . 2.7 m-85 -118.3 -37.4 3.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.405 ' HA ' HD12 ' A' ' 62' ' ' LEU . 2.2 m-85 -105.09 -43.06 5.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.851 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.539 HD11 ' OE1' ' A' ' 56' ' ' GLN . 57.1 mt -70.72 -32.78 50.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.9 ttmt -82.38 39.45 0.6 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' A' ' 59' ' ' PHE . 76.5 mt -132.16 -33.06 1.34 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.617 HG21 HD12 ' A' ' 67' ' ' ILE . 6.1 t -66.7 72.22 0.09 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.168 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 63' ' ' THR . 32.0 ttpt 34.4 36.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.918 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 63' ' ' THR . . . 41.73 48.72 3.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.107 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -95.33 -28.05 10.16 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.515 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.673 HG23 ' HD2' ' A' ' 68' ' ' PRO . 63.4 mt -84.28 138.65 39.07 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.66 0.743 . . . . 0.0 111.131 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.673 ' HD2' HG23 ' A' ' 67' ' ' ILE . 53.9 Cg_endo -69.74 119.81 6.7 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.73 2.287 . . . . 0.0 112.319 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 7.4 p -103.01 -31.11 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.133 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.7 t -145.87 165.71 28.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.846 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -141.3 -94.65 0.24 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.508 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 97.71 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.657 2.238 . . . . 0.0 112.314 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.7 t -143.56 175.67 9.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.855 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 9.2 t -160.46 177.53 10.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.498 -179.996 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.471 -0.251 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.8 m -110.02 123.67 50.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.877 0.37 . . . . 0.0 110.873 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.0 p -109.86 165.88 11.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.846 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.57 120.77 5.23 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.482 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.1 t -94.52 -60.85 1.62 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.86 0.362 . . . . 0.0 110.859 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 t -119.08 146.5 45.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.9 -48.08 22.54 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.516 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -48.33 148.34 1.95 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.751 0.31 . . . . 0.0 110.929 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.5 pp0? -41.39 145.28 0.27 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.5 mt -106.04 159.69 15.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.935 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.565 ' CH2' ' HG3' ' A' ' 46' ' ' ARG . 21.1 m95 -56.35 130.48 44.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.657 HG22 ' OE2' ' A' ' 15' ' ' GLU . 9.2 t -78.04 165.48 23.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.139 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.4 p -59.3 -37.6 70.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.115 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.425 ' HA ' ' CE ' ' A' ' 17' ' ' LYS . 46.0 mt-10 -63.54 -39.76 95.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.657 ' OE2' HG22 ' A' ' 12' ' ' THR . 22.2 mt-10 -75.73 -49.73 17.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -47.84 -48.72 30.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.425 ' CE ' ' HA ' ' A' ' 14' ' ' GLU . 3.9 pttp -67.77 -49.87 60.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.611 ' HE3' HD23 ' A' ' 43' ' ' LEU . 4.8 ttpp -54.3 -63.68 1.07 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.825 ' HA ' HD12 ' A' ' 22' ' ' LEU . 25.8 tp -35.76 -53.45 0.72 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.935 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 -46.85 -51.58 16.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -61.04 -42.37 98.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.825 HD12 ' HA ' ' A' ' 19' ' ' LEU . 10.6 mt -60.78 -57.17 13.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 22' ' ' LEU . 23.5 mt -34.43 -53.43 0.51 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 18.8 mt -66.07 -47.76 83.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.126 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.6 ttmt -46.09 -55.53 6.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -87.28 122.3 70.92 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.652 0.739 . . . . 0.0 110.939 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 151.37 68.95 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.682 2.254 . . . . 0.0 112.354 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 161.34 46.31 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.736 2.291 . . . . 0.0 112.308 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -162.87 158.77 22.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -46.17 -49.0 17.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.468 HG12 ' H ' ' A' ' 34' ' ' ARG . 56.3 t -88.93 105.04 15.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.13 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.517 ' HB2' ' CZ2' ' A' ' 36' ' ' TRP . 25.3 pm0 -79.66 -31.0 41.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.891 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.432 ' N ' ' HG2' ' A' ' 32' ' ' GLU . 12.4 p -51.99 -43.44 63.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 -179.777 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.468 ' H ' HG12 ' A' ' 31' ' ' VAL . 10.8 ptm180 -74.43 -33.78 63.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 50.0 ttt180 -62.2 -48.44 80.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.706 ' CZ3' HG21 ' A' ' 55' ' ' VAL . 9.3 m95 -59.74 -45.9 90.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 30.3 tp60 -47.33 -48.23 25.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.952 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 47.9 mttm -59.01 -49.96 75.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.63 HG23 HD13 ' A' ' 22' ' ' LEU . 49.7 mt -58.46 -53.59 44.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.163 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -46.11 -51.43 13.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.078 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -40.26 -51.28 2.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -59.46 -56.62 19.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.611 HD23 ' HE3' ' A' ' 18' ' ' LYS . 10.2 mt -49.2 -60.67 2.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 94.38 -37.76 3.32 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.474 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -83.58 -51.27 7.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.78 0.324 . . . . 0.0 110.888 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.565 ' HG3' ' CH2' ' A' ' 11' ' ' TRP . 14.0 mmp_? -84.63 158.99 20.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.652 ' O ' HG23 ' A' ' 51' ' ' VAL . 59.6 p -118.29 162.8 17.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 47' ' ' THR . . . -36.57 -59.1 0.69 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.126 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.402 ' O ' ' N ' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -54.46 -68.41 0.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -42.25 -34.03 0.71 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 47' ' ' THR . 97.0 t -71.99 -39.76 66.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.113 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 49' ' ' LYS . . . -54.69 -50.32 68.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 14.7 m -59.29 -42.5 91.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -58.76 -49.83 76.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.918 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.706 HG21 ' CZ3' ' A' ' 36' ' ' TRP . 94.6 t -50.96 -34.21 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.14 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.2 mm100 -61.5 -46.02 91.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -84.11 24.63 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -122.63 -35.63 3.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.954 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.401 ' CD1' ' N ' ' A' ' 59' ' ' PHE . 2.4 m-85 -108.63 -44.91 3.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.901 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.859 ' O ' HG22 ' A' ' 63' ' ' THR . 77.3 mt -70.38 -57.85 6.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.108 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 60' ' ' ILE . 18.2 ttpp -34.37 -35.22 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 60' ' ' ILE . 84.8 mt -45.72 -54.71 7.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.859 HG22 ' O ' ' A' ' 60' ' ' ILE . 6.0 t -57.71 -31.48 66.45 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.125 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.449 ' O ' ' CD1' ' A' ' 67' ' ' ILE . 27.9 mtmm -165.37 139.59 4.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -88.71 -42.95 11.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.083 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -78.87 51.23 3.77 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.501 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.651 HG23 ' HD2' ' A' ' 68' ' ' PRO . 81.8 mt -94.24 138.47 22.5 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.603 0.716 . . . . 0.0 111.109 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.651 ' HD2' HG23 ' A' ' 67' ' ' ILE . 53.9 Cg_endo -69.77 127.63 14.86 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.648 2.232 . . . . 0.0 112.374 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 14.7 p -102.88 143.24 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.167 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 52.3 p -53.79 -43.75 69.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 78.24 146.34 2.93 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.487 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 173.84 10.37 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.688 2.259 . . . . 0.0 112.311 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 47.5 p -94.13 -56.45 2.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 35.2 t -125.91 166.77 16.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.493 -179.942 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.4 p -137.45 131.4 31.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.865 0.364 . . . . 0.0 110.854 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 t -101.46 94.73 6.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.849 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.93 46.62 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.524 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 t -121.73 95.69 4.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.891 0.376 . . . . 0.0 110.837 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.2 p -71.19 -52.22 20.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.851 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.02 64.78 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.526 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -86.28 157.97 19.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.827 0.346 . . . . 0.0 110.885 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 17.4 tp60 -75.28 134.22 41.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.3 mt -96.94 154.98 16.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.545 ' CH2' ' HG3' ' A' ' 46' ' ' ARG . 30.0 m95 -70.49 147.59 49.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.434 HG23 ' H ' ' A' ' 15' ' ' GLU . 10.2 t -110.51 154.0 24.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.144 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.496 HG13 ' N ' ' A' ' 14' ' ' GLU . 7.2 p -38.36 -45.39 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.152 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.496 ' N ' HG13 ' A' ' 13' ' ' VAL . 22.7 mm-40 -57.43 -49.58 75.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.434 ' H ' HG23 ' A' ' 12' ' ' THR . 51.4 mt-10 -67.01 -55.55 13.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -37.77 -58.01 0.94 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' A' ' 18' ' ' LYS . 0.7 OUTLIER -62.25 -42.35 99.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.41 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 25.5 tttt -53.36 -58.55 6.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.907 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 17.5 tp -50.7 -45.79 58.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.641 ' O ' HD12 ' A' ' 24' ' ' ILE . 29.4 mm-40 -52.71 -54.91 27.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.853 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -59.4 -54.85 41.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.2 mt -47.97 -49.42 30.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.597 HD12 ' HA ' ' A' ' 20' ' ' GLU . 23.3 mt -40.88 -50.94 3.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.944 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.641 HD12 ' O ' ' A' ' 20' ' ' GLU . 5.3 mp -71.17 -45.93 68.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -44.48 -45.15 9.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -98.85 124.53 45.46 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.653 0.739 . . . . 0.0 110.941 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 154.5 67.61 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.66 2.24 . . . . 0.0 112.337 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 154.64 67.58 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.673 2.248 . . . . 0.0 112.35 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -151.21 162.19 41.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -55.31 -48.4 74.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 63.7 t -89.06 84.66 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.091 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.494 ' HB2' ' CE2' ' A' ' 36' ' ' TRP . 1.7 pm0 -53.33 -34.46 57.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.435 ' N ' ' HG2' ' A' ' 32' ' ' GLU . 14.5 t -42.51 -54.77 3.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.8 mtp180 -58.25 -57.02 14.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.882 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 64.4 ttt180 -40.72 -46.88 2.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.531 ' CZ3' HG21 ' A' ' 55' ' ' VAL . 8.3 m95 -65.66 -43.73 88.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -54.62 -44.4 73.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 72.0 mttt -63.45 -55.62 22.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 34.5 mt -55.0 -53.39 34.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.073 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.527 ' HB1' ' HA ' ' A' ' 47' ' ' THR . . . -51.13 -50.24 59.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.111 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -42.58 -58.13 2.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.857 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -47.32 -55.88 7.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.443 ' CD1' ' HB2' ' A' ' 46' ' ' ARG . 67.7 mt -47.45 -46.49 26.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 89.17 -43.77 3.07 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.495 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -86.35 -44.88 11.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.866 0.365 . . . . 0.0 110.921 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.545 ' HG3' ' CH2' ' A' ' 11' ' ' TRP . 2.8 mmp_? -74.94 173.58 10.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.527 ' HA ' ' HB1' ' A' ' 40' ' ' ALA . 58.4 p -142.94 157.41 44.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.109 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 47' ' ' THR . . . -34.09 -52.93 0.47 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.114 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.409 ' O ' ' N ' ' A' ' 52' ' ' ALA . 8.9 mmtp -58.85 -70.04 0.17 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.873 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 54.3 mm-40 -40.04 -35.92 0.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.963 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.487 ' O ' HG23 ' A' ' 55' ' ' VAL . 86.6 t -72.68 -42.99 62.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.158 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 49' ' ' LYS . . . -57.01 -49.44 75.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.108 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 74.0 m -65.05 -28.9 69.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.441 ' O ' ' CD1' ' A' ' 58' ' ' TYR . 14.3 tp60 -77.29 -39.72 47.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.945 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.576 HG22 HD21 ' A' ' 23' ' ' LEU . 81.5 t -70.28 -46.88 69.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.486 ' HG3' ' N ' ' A' ' 57' ' ' LYS . 11.4 pt20 -52.55 -36.67 56.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.486 ' N ' ' HG3' ' A' ' 56' ' ' GLN . 75.1 mttt -91.49 21.74 4.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.441 ' CD1' ' O ' ' A' ' 54' ' ' GLN . 2.6 m-85 -119.79 -37.43 3.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.427 ' CD1' ' N ' ' A' ' 59' ' ' PHE . 1.9 m-85 -103.26 -38.32 7.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.86 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 28.3 mt -66.53 -33.48 63.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.136 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.505 ' O ' HD12 ' A' ' 67' ' ' ILE . 27.7 tttp -64.13 -36.72 84.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.509 ' C ' HD12 ' A' ' 62' ' ' LEU . 4.0 pp -88.8 26.56 1.5 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.927 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.658 HG22 ' O ' ' A' ' 63' ' ' THR . 30.0 m -124.9 38.52 4.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.166 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.463 ' HB3' HD11 ' A' ' 67' ' ' ILE . 1.6 tmtp? -173.33 129.99 0.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -89.49 127.9 35.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.062 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.44 ' O ' ' C ' ' A' ' 67' ' ' ILE . . . 122.52 -33.39 4.15 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.508 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.646 HG23 ' HD2' ' A' ' 68' ' ' PRO . 86.8 mt -34.96 137.84 0.37 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.592 0.71 . . . . 0.0 111.155 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.646 ' HD2' HG23 ' A' ' 67' ' ' ILE . 54.0 Cg_endo -69.78 167.74 23.6 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.662 2.241 . . . . 0.0 112.321 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 96.3 t -98.42 122.32 49.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.146 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 37.1 m -134.98 127.37 30.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 113.45 154.16 11.36 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.496 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 94.78 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.67 2.247 . . . . 0.0 112.336 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.1 t -43.51 -45.68 6.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 20.3 m 50.04 42.18 24.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.812 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 -179.998 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.511 -0.235 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.439 ' HB2' ' CB ' ' A' ' 65' ' ' ALA . 1.2 t -93.95 177.19 6.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.882 0.372 . . . . 0.0 110.87 -179.736 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.7 p -128.59 118.26 22.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.46 43.58 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.464 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.6 m -120.97 95.17 4.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.877 0.37 . . . . 0.0 110.822 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.2 p -134.8 153.99 51.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.809 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.91 -158.03 19.3 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.452 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -118.04 -61.3 1.7 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.784 0.326 . . . . 0.0 110.905 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -100.62 42.29 1.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.723 HD23 ' N ' ' A' ' 11' ' ' TRP . 2.1 tt -47.02 145.43 2.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.918 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.723 ' N ' HD23 ' A' ' 10' ' ' LEU . 10.7 m0 -63.66 171.23 2.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.902 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 13' ' ' VAL . 6.1 t -118.32 148.26 42.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.136 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.443 ' C ' ' O ' ' A' ' 12' ' ' THR . 78.1 t -33.86 -49.27 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.145 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -53.13 -61.46 2.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.938 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.58 -41.48 77.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -49.01 -66.39 0.41 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.402 ' CE ' HG12 ' A' ' 13' ' ' VAL . 13.2 ptpt -59.53 -40.63 87.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 50.3 tttp -54.97 -43.27 73.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 1.023 HD23 ' CE2' ' A' ' 58' ' ' TYR . 25.5 tp -64.25 -60.1 3.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.615 ' HA ' HD12 ' A' ' 23' ' ' LEU . 25.5 mt-10 -36.51 -44.18 0.43 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.872 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 -64.69 -59.69 3.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.988 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.521 HD12 ' HA ' ' A' ' 19' ' ' LEU . 10.8 mt -44.31 -49.91 9.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.615 HD12 ' HA ' ' A' ' 20' ' ' GLU . 16.9 mt -38.69 -47.96 1.42 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 18.9 mt -66.73 -53.14 37.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.152 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.2 ttmt -49.84 -41.11 44.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 62.8 m-85 -100.69 99.6 10.53 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.657 0.741 . . . . 0.0 110.934 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 170.04 17.56 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.662 2.241 . . . . 0.0 112.355 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.442 ' HA ' ' OE2' ' A' ' 29' ' ' GLU . 53.6 Cg_endo -69.77 167.12 25.37 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.676 2.251 . . . . 0.0 112.344 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.542 ' N ' ' CD ' ' A' ' 29' ' ' GLU . 0.8 OUTLIER -156.4 -179.04 7.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.838 -179.925 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.418 ' HG3' HG23 ' A' ' 31' ' ' VAL . 5.3 pt-20 -63.78 -41.78 97.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.418 HG23 ' HG3' ' A' ' 30' ' ' GLU . 44.5 t -98.18 114.22 35.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.125 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.488 ' O ' ' NE1' ' A' ' 36' ' ' TRP . 6.4 tp10 -82.31 39.31 0.58 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 27.6 t -128.36 -55.11 1.26 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 -55.07 -31.72 61.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.858 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.437 ' HB2' ' CD ' ' A' ' 29' ' ' GLU . 65.0 ttt180 -61.44 -43.58 98.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.541 ' CZ3' HG21 ' A' ' 55' ' ' VAL . 12.2 m95 -68.42 -42.94 78.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.939 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 21.7 tp60 -55.09 -52.77 62.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.907 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 33.5 mtmt -54.34 -55.77 25.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.421 HG23 HD13 ' A' ' 22' ' ' LEU . 39.8 mt -54.63 -47.07 73.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.129 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.459 ' HB1' ' HA ' ' A' ' 47' ' ' THR . . . -49.99 -54.0 22.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.086 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -51.22 -43.79 61.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.868 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -63.84 -45.47 89.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.486 ' CD1' HG22 ' A' ' 51' ' ' VAL . 32.5 mt -51.32 -38.75 54.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.945 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 124.34 -80.53 0.36 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.51 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -99.9 -33.48 10.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.827 0.346 . . . . 0.0 110.896 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.539 ' HD2' ' CE2' ' A' ' 11' ' ' TRP . 15.4 mmp_? -49.88 145.63 5.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.459 ' HA ' ' HB1' ' A' ' 40' ' ' ALA . 19.7 p -115.35 161.27 18.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 47' ' ' THR . . . -35.12 -53.31 0.6 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.112 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 50' ' ' GLN . 8.9 mmtp -56.97 -70.0 0.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' A' ' 49' ' ' LYS . 92.0 mm-40 -37.04 -38.18 0.18 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.901 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.486 HG22 ' CD1' ' A' ' 43' ' ' LEU . 67.8 t -74.04 -47.97 40.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.67 -44.18 85.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 t -72.43 -11.88 60.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 10.0 tp60 -90.41 -28.89 18.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.907 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.541 HG21 ' CZ3' ' A' ' 36' ' ' TRP . 90.9 t -74.81 -45.73 43.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.168 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.484 ' HG3' ' N ' ' A' ' 57' ' ' LYS . 18.1 pt20 -41.95 -46.42 4.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.949 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.484 ' N ' ' HG3' ' A' ' 56' ' ' GLN . 55.7 mttt -75.82 -48.63 20.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 1.023 ' CE2' HD23 ' A' ' 19' ' ' LEU . 3.6 m-30 -41.28 -24.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.446 ' N ' ' O ' ' A' ' 57' ' ' LYS . 1.9 m-85 -116.09 -39.26 3.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.831 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.725 ' O ' HG22 ' A' ' 60' ' ' ILE . 30.1 mt -85.8 25.02 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.155 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.417 ' HD3' ' C ' ' A' ' 61' ' ' LYS . 1.3 tmtp? -127.8 -29.31 2.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.509 ' C ' HD12 ' A' ' 62' ' ' LEU . 4.6 pp -79.4 10.71 3.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.894 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 9.0 t -81.78 40.13 0.58 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 65' ' ' ALA . 33.3 mmtp 53.22 33.19 14.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.867 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.439 ' CB ' ' HB2' ' A' ' 2' ' ' SER . . . 34.52 43.51 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.135 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -107.54 36.33 4.46 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.471 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.657 HG23 ' HD2' ' A' ' 68' ' ' PRO . 86.2 mt -151.29 138.66 12.21 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.642 0.734 . . . . 0.0 111.11 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.657 ' HD2' HG23 ' A' ' 67' ' ' ILE . 53.3 Cg_endo -69.79 124.25 10.89 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.656 2.237 . . . . 0.0 112.324 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 90.9 t -92.39 -60.53 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.179 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.6 t -98.05 145.89 26.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.833 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 159.83 83.08 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.512 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 92.03 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.651 2.234 . . . . 0.0 112.355 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 28.9 t -88.92 -49.68 6.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.0 t -140.49 168.06 20.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.516 -179.988 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 t -85.15 42.09 0.92 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.847 0.356 . . . . 0.0 110.852 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 t -155.98 125.46 6.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.96 146.63 9.43 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.531 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 t -105.22 135.25 46.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.789 0.328 . . . . 0.0 110.853 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.6 p -154.53 143.03 20.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.64 52.27 0.7 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.488 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 37.1 m-20 -151.29 118.72 6.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.74 0.305 . . . . 0.0 110.917 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -41.92 128.12 3.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.946 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 12.5 mt -70.15 157.76 37.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.573 ' CH2' ' HG3' ' A' ' 46' ' ' ARG . 7.0 m95 -45.59 148.68 0.68 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.2 t -100.96 148.62 24.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.127 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.493 HG12 ' HD2' ' A' ' 17' ' ' LYS . 97.1 t -41.55 -53.66 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.166 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -42.09 -36.09 1.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.85 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 18' ' ' LYS . 39.7 mt-10 -91.26 -54.26 4.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -46.66 -29.28 1.78 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.951 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.493 ' HD2' HG12 ' A' ' 13' ' ' VAL . 7.6 ptmt -86.04 -25.87 25.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 15' ' ' GLU . 26.7 tttp -79.23 -47.83 15.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.595 HD23 ' CE2' ' A' ' 58' ' ' TYR . 31.8 tp -56.26 -57.54 11.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.937 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.427 ' HA ' HD12 ' A' ' 23' ' ' LEU . 70.8 mm-40 -43.35 -38.16 2.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -76.68 -55.23 5.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.666 HD13 HG23 ' A' ' 39' ' ' ILE . 23.1 mt -50.03 -33.08 17.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.427 HD12 ' HA ' ' A' ' 20' ' ' GLU . 28.9 mt -55.03 -42.8 73.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 22.9 mt -72.14 -50.12 38.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.497 ' HD2' ' CE2' ' A' ' 26' ' ' TYR . 2.9 tmtm? -55.27 -41.21 71.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.575 ' CE1' ' HB3' ' A' ' 38' ' ' LYS . 53.4 m-85 -104.91 92.23 5.05 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.677 0.751 . . . . 0.0 110.954 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 169.51 18.8 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.661 2.24 . . . . 0.0 112.368 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 162.23 42.89 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.685 2.257 . . . . 0.0 112.316 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -154.85 -177.08 6.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.561 ' HG3' HG23 ' A' ' 31' ' ' VAL . 6.1 pt-20 -59.99 -47.31 86.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.899 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.561 HG23 ' HG3' ' A' ' 30' ' ' GLU . 83.2 t -102.35 100.04 9.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.124 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.407 ' HG2' ' N ' ' A' ' 33' ' ' SER . 0.7 OUTLIER -60.67 -35.54 76.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.407 ' N ' ' HG2' ' A' ' 32' ' ' GLU . 6.9 p -44.37 -48.24 9.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.84 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.3 mtp180 -66.69 -46.44 75.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.859 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 45.4 ttt180 -45.74 -46.63 15.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.895 ' CZ3' HG21 ' A' ' 55' ' ' VAL . 16.1 m95 -72.35 -28.04 62.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.612 HE21 ' HB2' ' A' ' 48' ' ' ALA . 5.3 mm-40 -70.49 -49.51 47.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.91 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.575 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 65.9 mttt -54.68 -43.33 72.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.666 HG23 HD13 ' A' ' 22' ' ' LEU . 26.4 mt -67.64 -51.97 45.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.12 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.469 ' HA ' HD12 ' A' ' 43' ' ' LEU . . . -48.8 -53.72 18.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.128 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -42.32 -57.61 2.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -50.34 -50.38 51.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.497 HD13 ' HB2' ' A' ' 46' ' ' ARG . 26.6 mt -56.52 -46.5 80.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 80.98 -41.73 2.63 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.522 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -82.57 -45.31 14.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.807 0.337 . . . . 0.0 110.895 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.573 ' HG3' ' CH2' ' A' ' 11' ' ' TRP . 11.7 mmp_? -85.67 164.87 17.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 48' ' ' ALA . 10.4 p -125.43 157.61 36.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.168 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.612 ' HB2' HE21 ' A' ' 37' ' ' GLN . . . -36.29 -47.91 0.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.09 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.21 -64.76 0.8 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -46.04 -33.38 3.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.884 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.855 ' O ' HG23 ' A' ' 55' ' ' VAL . 63.3 t -75.83 -39.35 38.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.167 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.7 -46.05 89.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.082 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 30.6 p -65.54 -45.42 83.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -56.62 -43.94 80.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.895 HG21 ' CZ3' ' A' ' 36' ' ' TRP . 90.9 t -56.03 -38.44 53.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.133 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 34.2 mm-40 -56.94 -47.46 80.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.4 mtpp -84.72 16.78 3.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.706 ' C ' HD21 ' A' ' 62' ' ' LEU . 2.9 m-30 -116.69 -13.45 10.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -132.28 -52.48 0.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 71.8 mt -58.12 -42.82 84.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.129 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 64.8 tttt -60.9 -33.46 73.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.706 HD21 ' C ' ' A' ' 58' ' ' TYR . 0.1 OUTLIER -101.21 48.65 0.89 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.91 179.921 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 14.4 t -97.31 152.66 18.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.195 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.4 ttpm? -129.46 -63.52 0.93 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -170.49 159.77 7.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.1 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 139.6 -39.21 1.55 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.437 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.657 HG23 ' HD2' ' A' ' 68' ' ' PRO . 5.3 mp -73.7 138.53 77.06 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.577 0.704 . . . . 0.0 111.15 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.657 ' HD2' HG23 ' A' ' 67' ' ' ILE . 53.6 Cg_endo -69.78 117.77 5.28 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.635 2.224 . . . . 0.0 112.339 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 99.0 t -76.13 -49.2 26.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.134 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.459 ' O ' ' C ' ' A' ' 71' ' ' GLY . 6.4 t -102.62 80.26 1.9 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.459 ' C ' ' O ' ' A' ' 70' ' ' SER . . . -32.9 96.38 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.467 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.426 ' N ' ' O ' ' A' ' 70' ' ' SER . 53.2 Cg_endo -69.79 143.92 52.23 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.67 2.247 . . . . 0.0 112.38 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 12.0 t -158.39 179.51 9.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 16.4 t -54.14 100.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.857 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.382 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.496 -179.999 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.456 -0.257 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.1 m -41.6 150.99 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.916 0.389 . . . . 0.0 110.844 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.5 p -158.19 164.64 36.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.859 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.71 135.76 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.491 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m -111.78 92.19 3.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.909 0.385 . . . . 0.0 110.871 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.1 m -73.04 -51.89 16.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.873 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.59 -167.67 37.86 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.506 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -76.97 -39.0 52.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.78 0.324 . . . . 0.0 110.876 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -85.78 36.83 0.68 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.674 HD23 ' N ' ' A' ' 11' ' ' TRP . 2.1 tt -46.92 145.42 2.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.674 ' N ' HD23 ' A' ' 10' ' ' LEU . 55.8 m95 -37.1 116.26 0.44 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 13' ' ' VAL . 14.6 t -88.92 152.99 21.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.152 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.536 HG13 ' N ' ' A' ' 14' ' ' GLU . 9.3 p -35.71 -47.48 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.122 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.536 ' N ' HG13 ' A' ' 13' ' ' VAL . 14.0 mt-10 -51.43 -52.43 46.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -69.45 -47.97 62.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -41.71 -53.35 3.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.472 ' HG3' ' N ' ' A' ' 18' ' ' LYS . 16.6 pttp -71.75 -35.26 70.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.524 ' CD ' HD11 ' A' ' 22' ' ' LEU . 1.2 tmtp? -59.1 -62.12 2.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.921 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.454 ' HA ' HD12 ' A' ' 22' ' ' LEU . 10.9 tp -47.62 -47.31 28.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.939 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.632 ' HA ' HD12 ' A' ' 23' ' ' LEU . 23.8 mm-40 -49.72 -48.73 49.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -62.73 -41.53 99.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.524 HD11 ' CD ' ' A' ' 18' ' ' LYS . 22.9 mt -62.44 -51.17 68.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.632 HD12 ' HA ' ' A' ' 20' ' ' GLU . 56.5 mt -38.64 -52.56 1.65 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 29.2 mt -61.49 -46.97 95.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.106 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.4 tttt -56.29 -43.25 78.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.571 ' CE1' ' HB3' ' A' ' 38' ' ' LYS . 60.2 m-85 -105.51 93.22 6.77 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.677 0.751 . . . . 0.0 110.895 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 26' ' ' TYR . 53.3 Cg_endo -69.84 170.04 17.6 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.633 2.222 . . . . 0.0 112.333 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 113.89 3.53 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.657 2.238 . . . . 0.0 112.342 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -104.61 163.45 12.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.74 ' HG3' HG23 ' A' ' 31' ' ' VAL . 10.0 pt-20 -38.22 -44.23 0.84 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.74 HG23 ' HG3' ' A' ' 30' ' ' GLU . 27.3 t -104.09 94.95 3.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.11 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.491 ' HG2' ' CE2' ' A' ' 36' ' ' TRP . 17.5 tt0 -49.8 -45.29 49.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 43.6 t -46.58 -51.01 16.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 47.4 mtt-85 -55.43 -49.29 72.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.888 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 48.1 ttt180 -45.94 -52.63 11.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.784 ' CZ3' HG21 ' A' ' 55' ' ' VAL . 12.4 m95 -59.1 -46.2 88.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -51.17 -46.27 62.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.917 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.571 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 38.9 mttm -60.59 -46.84 88.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 73.4 mt -59.77 -56.47 17.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.167 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 41' ' ' ASP . . . -52.24 -58.0 7.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.126 179.771 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 40' ' ' ALA . 10.5 t0 -35.38 -54.95 0.66 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -56.74 -49.53 74.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.4 mt -56.54 -44.07 80.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.56 -42.12 2.39 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.452 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 40.0 t-20 -78.52 -47.04 18.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.784 0.326 . . . . 0.0 110.878 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.557 ' HG3' ' CH2' ' A' ' 11' ' ' TRP . 7.2 mmt-85 -85.44 169.02 14.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.442 ' O ' HG23 ' A' ' 51' ' ' VAL . 58.6 p -125.93 157.53 37.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 47' ' ' THR . . . -37.27 -55.48 1.01 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 52' ' ' ALA . 8.4 mmtp -56.41 -66.95 0.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.932 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 41.8 mm-40 -39.22 -39.88 0.67 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.72 ' O ' HG23 ' A' ' 55' ' ' VAL . 97.2 t -68.91 -42.15 82.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 49' ' ' LYS . . . -57.19 -50.88 71.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.146 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 18.1 m -57.76 -47.55 82.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.545 ' HG3' ' CE1' ' A' ' 58' ' ' TYR . 7.4 tp60 -55.83 -40.16 72.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.784 HG21 ' CZ3' ' A' ' 36' ' ' TRP . 94.9 t -56.17 -45.44 80.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.142 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -48.07 -50.92 26.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.11 24.2 0.96 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.545 ' CE1' ' HG3' ' A' ' 54' ' ' GLN . 3.6 m-85 -124.72 -35.06 2.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.92 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.431 ' CE1' HG13 ' A' ' 55' ' ' VAL . 2.1 m-85 -109.63 -50.3 3.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.906 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 69.4 mt -62.52 -39.34 84.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.136 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.1 ttpt -53.2 -42.13 65.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 59' ' ' PHE . 5.9 mt -65.2 -63.13 1.18 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 64' ' ' LYS . 23.1 p -43.44 141.26 1.42 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.1 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' 65' ' ' ALA . 48.1 mtmt 34.64 49.59 0.37 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 64' ' ' LYS . . . -34.42 150.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.11 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 96.72 42.63 3.31 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.473 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 4.5 mp -94.34 129.68 36.23 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.6 0.714 . . . . 0.0 111.147 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 120.79 7.52 Favored 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.712 2.275 . . . . 0.0 112.324 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 86.1 t -93.37 145.95 7.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.112 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 59.9 p -120.08 117.31 27.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.827 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -176.65 84.01 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.498 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 86.47 0.58 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.632 2.221 . . . . 0.0 112.36 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 11.5 t -64.8 -44.91 88.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.5 t -169.89 163.19 9.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.464 179.963 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.0 m 46.81 42.29 11.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.867 0.365 . . . . 0.0 110.846 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 t 52.47 41.84 31.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.19 -78.74 0.27 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.437 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 t -52.57 150.74 4.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.816 0.341 . . . . 0.0 110.899 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.7 t -86.58 -62.16 1.57 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.841 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.13 43.31 1.74 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.51 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 31.2 m120 40.91 40.94 1.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.777 0.322 . . . . 0.0 110.873 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -89.44 42.15 1.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.938 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 12.6 mt -101.71 168.76 9.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.933 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.561 ' CD1' ' NE2' ' A' ' 54' ' ' GLN . 11.1 m95 -38.35 155.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.405 ' O ' ' N ' ' A' ' 15' ' ' GLU . 12.3 t -105.19 149.13 26.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.193 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.462 HG13 ' N ' ' A' ' 14' ' ' GLU . 7.7 p -38.63 -44.58 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.142 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.462 ' N ' HG13 ' A' ' 13' ' ' VAL . 15.7 mt-10 -52.36 -42.94 64.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.495 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 48.1 mt-10 -81.83 -36.09 28.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.904 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -48.03 -65.06 0.63 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.1 pttt -51.9 -44.29 63.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.79 -67.11 0.34 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 40.8 tp -45.72 -54.63 7.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -48.96 -53.29 20.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -61.41 -61.44 2.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.931 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.435 HD13 HG23 ' A' ' 39' ' ' ILE . 87.8 mt -46.29 -40.19 11.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.561 HD21 HG22 ' A' ' 55' ' ' VAL . 27.0 mt -53.82 -48.24 70.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 43.6 mt -69.76 -42.24 80.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 43.6 tttp -64.31 -31.61 72.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.485 ' CE1' ' HB3' ' A' ' 38' ' ' LYS . 39.3 m-85 -102.06 97.65 8.74 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.685 0.755 . . . . 0.0 110.919 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 26' ' ' TYR . 53.7 Cg_endo -69.77 170.08 17.42 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.674 2.249 . . . . 0.0 112.386 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.447 ' HA ' ' OE2' ' A' ' 29' ' ' GLU . 53.9 Cg_endo -69.74 164.47 34.39 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.725 2.283 . . . . 0.0 112.353 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.447 ' OE2' ' HA ' ' A' ' 28' ' ' PRO . 1.5 pm0 -154.55 -175.36 5.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -60.24 -50.65 72.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.515 HG12 ' H ' ' A' ' 33' ' ' SER . 2.1 t -98.02 134.56 35.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.116 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.59 ' O ' ' CD1' ' A' ' 36' ' ' TRP . 37.0 tt0 -89.34 -1.05 57.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.515 ' H ' HG12 ' A' ' 31' ' ' VAL . 4.7 t -96.7 -27.19 14.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.842 -179.759 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.469 ' N ' ' HD2' ' A' ' 34' ' ' ARG . 0.6 OUTLIER -77.68 -26.06 49.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.889 -179.944 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.426 ' HB2' ' CD ' ' A' ' 29' ' ' GLU . 67.7 ttt180 -69.12 -44.84 71.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.754 ' CZ3' HG21 ' A' ' 55' ' ' VAL . 12.4 m95 -67.06 -42.6 84.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.916 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -50.97 -40.31 57.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.94 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.485 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 38.5 mttm -69.89 -59.55 2.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.435 HG23 HD13 ' A' ' 22' ' ' LEU . 67.9 mt -47.36 -43.65 8.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.093 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.25 -49.41 77.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.087 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -45.62 -47.13 14.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -59.03 -45.66 90.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.768 HD13 ' HB2' ' A' ' 46' ' ' ARG . 9.7 mt -60.56 -58.05 10.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 98.81 -38.97 2.89 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.525 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -93.35 -45.09 7.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.803 0.335 . . . . 0.0 110.896 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.768 ' HB2' HD13 ' A' ' 43' ' ' LEU . 77.3 mmt-85 -77.09 167.02 22.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.645 ' O ' HG23 ' A' ' 51' ' ' VAL . 40.5 p -129.3 163.47 25.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.13 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -39.11 -51.32 1.89 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.485 ' O ' ' N ' ' A' ' 52' ' ' ALA . 10.8 mmmt -61.08 -71.28 0.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -38.46 -29.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 47' ' ' THR . 91.3 t -78.64 -42.25 25.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.155 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.485 ' N ' ' O ' ' A' ' 49' ' ' LYS . . . -61.67 -49.87 74.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.104 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.4 t -53.47 -38.5 63.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.561 ' NE2' ' CD1' ' A' ' 11' ' ' TRP . 9.5 tp60 -65.56 -52.05 55.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.912 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.754 HG21 ' CZ3' ' A' ' 36' ' ' TRP . 95.8 t -52.47 -36.11 21.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.161 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -55.41 -50.07 70.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.948 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.3 mttp -82.49 18.13 1.57 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -114.21 -39.26 3.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.471 ' O ' HD12 ' A' ' 62' ' ' LEU . 2.4 m-85 -103.11 -44.13 5.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.43 ' O ' HG22 ' A' ' 63' ' ' THR . 56.6 mt -68.2 -53.36 29.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.142 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 62' ' ' LEU . 40.3 tttt -41.02 -34.96 0.47 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.471 HD12 ' O ' ' A' ' 59' ' ' PHE . 36.2 mt -37.17 -50.17 0.94 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.951 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.43 HG22 ' O ' ' A' ' 60' ' ' ILE . 14.7 t -45.83 159.27 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.6 tppt? -111.12 -42.74 3.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.66 -45.13 84.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.111 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -80.48 51.17 4.17 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.498 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.657 HG23 ' HD2' ' A' ' 68' ' ' PRO . 47.7 mm -124.19 138.45 30.82 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.668 0.747 . . . . 0.0 111.117 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.657 ' HD2' HG23 ' A' ' 67' ' ' ILE . 53.9 Cg_endo -69.74 153.34 69.16 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.679 2.253 . . . . 0.0 112.372 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 9.4 p -123.75 133.33 69.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.2 t -138.25 168.47 19.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -120.82 83.37 0.36 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.494 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 89.54 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.714 2.276 . . . . 0.0 112.346 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 26.7 t -41.44 -53.93 3.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 79.7 p -148.4 144.72 27.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.852 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.51 179.994 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.5 m 61.24 42.22 12.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.923 0.392 . . . . 0.0 110.89 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 t -90.86 42.19 1.09 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.873 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.54 -92.89 0.78 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.487 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.7 p 39.34 41.79 0.72 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.859 0.362 . . . . 0.0 110.899 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.4 p -109.21 142.73 39.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.509 ' CA ' HD13 ' A' ' 10' ' ' LEU . . . 61.31 88.16 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.429 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 46.7 t-20 -62.42 -57.6 10.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.756 0.312 . . . . 0.0 110.899 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 22.7 mp0 -74.83 -4.37 37.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.953 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.509 HD13 ' CA ' ' A' ' 7' ' ' GLY . 5.6 mp -96.05 169.24 10.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.559 ' CH2' ' HG3' ' A' ' 46' ' ' ARG . 40.9 m95 -74.02 126.23 30.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.7 t -93.92 158.6 15.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.131 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.526 HG13 ' N ' ' A' ' 14' ' ' GLU . 8.3 p -45.14 -47.36 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.094 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.526 ' N ' HG13 ' A' ' 13' ' ' VAL . 59.6 mm-40 -52.59 -48.33 66.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 16' ' ' GLN . 46.6 mt-10 -68.82 -55.47 11.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 15' ' ' GLU . 47.9 mt-30 -36.84 -61.91 0.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.45 ' HG3' ' N ' ' A' ' 18' ' ' LYS . 13.3 ptpt -55.67 -49.65 72.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.45 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 21.1 tttp -50.56 -59.35 4.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.475 HD22 ' CH2' ' A' ' 11' ' ' TRP . 24.3 tp -54.38 -66.8 0.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.959 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 19' ' ' LEU . 69.1 mt-10 -35.54 -40.59 0.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 24.2 mm-40 -70.18 -52.28 24.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 24.9 mt -57.9 -50.83 72.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.424 HD12 ' HG ' ' A' ' 19' ' ' LEU . 15.9 mt -41.53 -44.91 3.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 44.3 mt -77.76 -39.78 26.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.542 ' HD2' ' CE2' ' A' ' 26' ' ' TYR . 1.4 tmtp? -53.87 -44.64 70.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.888 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.542 ' CE2' ' HD2' ' A' ' 25' ' ' LYS . 54.6 m-85 -91.55 120.23 68.28 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.698 0.761 . . . . 0.0 110.919 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 155.43 65.81 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.666 2.244 . . . . 0.0 112.333 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 172.03 13.44 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.707 2.272 . . . . 0.0 112.333 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.427 ' CD ' ' HD2' ' A' ' 34' ' ' ARG . 5.3 pt-20 -162.91 173.34 13.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -50.59 -47.55 58.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.559 HG12 ' H ' ' A' ' 34' ' ' ARG . 69.2 t -104.56 113.42 41.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.143 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -72.72 -31.04 64.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.2 t -53.07 -48.43 67.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.559 ' H ' HG12 ' A' ' 31' ' ' VAL . 6.5 ptp85 -66.1 -28.18 68.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.4 ' N ' ' HG3' ' A' ' 34' ' ' ARG . 55.8 ttt180 -69.04 -44.05 73.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.517 ' CH2' HG11 ' A' ' 55' ' ' VAL . 13.3 m95 -63.55 -36.4 83.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.824 ' HA ' ' HB2' ' A' ' 48' ' ' ALA . 5.3 tp-100 -57.3 -48.25 79.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.939 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.1 mttt -58.74 -46.54 87.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.929 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 62.7 mt -62.0 -44.46 98.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.434 ' O ' ' C ' ' A' ' 41' ' ' ASP . . . -55.09 -56.4 20.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.084 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 40' ' ' ALA . 4.1 t70 -34.54 -59.45 0.46 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.887 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -52.45 -50.25 63.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.8 mt -56.85 -41.85 78.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.933 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 75.7 -46.92 2.07 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.522 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -74.46 -50.59 17.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.788 0.328 . . . . 0.0 110.912 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.559 ' HG3' ' CH2' ' A' ' 11' ' ' TRP . 8.1 mmt180 -85.14 157.35 20.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.841 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.488 ' O ' ' N ' ' A' ' 49' ' ' LYS . 38.6 p -119.12 156.3 30.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.824 ' HB2' ' HA ' ' A' ' 37' ' ' GLN . . . -38.18 -26.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.113 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 47' ' ' THR . 0.1 OUTLIER -81.04 -67.34 0.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -47.0 -31.79 3.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.893 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.73 ' O ' HG23 ' A' ' 55' ' ' VAL . 98.1 t -69.94 -42.05 79.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.68 -47.36 82.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.083 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 93.1 p -55.76 -46.9 77.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.826 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.4 ' HG3' ' CE1' ' A' ' 58' ' ' TYR . 4.4 tp-100 -62.76 -43.66 98.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.93 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.73 HG23 ' O ' ' A' ' 51' ' ' VAL . 91.2 t -51.69 -32.85 14.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.127 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.472 ' OE1' HD11 ' A' ' 60' ' ' ILE . 12.2 mm100 -58.27 -43.24 87.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -90.19 18.81 5.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.4 ' CE1' ' HG3' ' A' ' 54' ' ' GLN . 3.7 m-85 -119.1 -24.64 6.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.514 ' O ' HG23 ' A' ' 63' ' ' THR . 1.9 m-85 -120.9 -44.8 2.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.472 HD11 ' OE1' ' A' ' 56' ' ' GLN . 20.8 mt -76.16 -15.03 15.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.168 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 33.2 tttp -75.25 -42.32 55.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.865 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.514 ' C ' HD12 ' A' ' 62' ' ' LEU . 2.4 pp -74.47 -38.91 62.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.87 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.514 HG23 ' O ' ' A' ' 59' ' ' PHE . 29.3 p -47.29 126.54 9.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.109 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.8 mtmt -52.34 -62.28 1.74 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.931 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -87.63 141.97 28.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.413 ' C ' HG13 ' A' ' 67' ' ' ILE . . . 110.27 39.0 1.56 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.491 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.643 HG23 ' HD2' ' A' ' 68' ' ' PRO . 82.9 mt -149.45 138.35 12.43 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.6 0.714 . . . . 0.0 111.161 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.643 ' HD2' HG23 ' A' ' 67' ' ' ILE . 53.8 Cg_endo -69.76 -173.29 0.69 Allowed 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.701 2.267 . . . . 0.0 112.306 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 88.4 t -138.41 139.55 41.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.1 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 33.5 t -172.2 139.91 1.11 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -114.95 -179.51 18.62 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.472 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -45.09 1.68 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.694 2.263 . . . . 0.0 112.33 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 59.7 p -110.36 164.42 12.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.841 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 20.5 t -88.21 107.84 18.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.86 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.492 -179.983 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.5 m -143.06 173.0 11.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.84 0.352 . . . . 0.0 110.9 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.5 m -104.08 -62.29 1.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.845 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.18 120.98 2.12 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.463 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -140.41 163.68 32.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.832 0.349 . . . . 0.0 110.897 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.9 m -138.27 175.37 9.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.846 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.51 -125.1 1.19 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.502 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -133.16 -47.78 0.85 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.813 0.339 . . . . 0.0 110.899 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -133.15 80.8 1.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.6 mt -98.14 169.69 9.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.585 ' CZ3' ' HB3' ' A' ' 15' ' ' GLU . 12.6 m95 -62.58 179.12 0.36 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.455 HG23 ' HB2' ' A' ' 14' ' ' GLU . 8.9 t -140.31 148.39 41.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.157 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.446 ' C ' ' O ' ' A' ' 12' ' ' THR . 77.3 t -33.08 -45.29 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.171 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.497 ' O ' ' CB ' ' A' ' 18' ' ' LYS . 14.1 mt-10 -48.91 -68.42 0.18 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.585 ' HB3' ' CZ3' ' A' ' 11' ' ' TRP . 48.7 mm-40 -61.94 -37.36 84.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.856 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -45.47 -70.2 0.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.42 ' NZ ' ' HA ' ' A' ' 14' ' ' GLU . 8.4 pttm -72.63 -44.23 62.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.497 ' CB ' ' O ' ' A' ' 14' ' ' GLU . 54.4 tttt -50.39 -31.13 13.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.907 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.423 HD22 ' CH2' ' A' ' 11' ' ' TRP . 9.4 tp -75.96 -56.51 4.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.756 ' HA ' HD12 ' A' ' 23' ' ' LEU . 62.8 mt-10 -43.67 -43.39 5.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.881 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -63.16 -50.01 72.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.59 ' HB3' HG23 ' A' ' 39' ' ' ILE . 27.1 mt -53.64 -50.13 66.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.756 HD12 ' HA ' ' A' ' 20' ' ' GLU . 21.1 mt -42.02 -45.43 3.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 37.1 mt -66.07 -43.43 92.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.104 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 64.8 tttt -59.68 -44.76 93.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.895 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.478 ' CE1' ' HB3' ' A' ' 38' ' ' LYS . 68.1 m-85 -97.02 103.53 15.45 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.698 0.761 . . . . 0.0 110.926 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' ' 26' ' ' TYR . 54.3 Cg_endo -69.78 161.78 44.63 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.665 2.244 . . . . 0.0 112.387 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 126.32 13.16 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.681 2.254 . . . . 0.0 112.355 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.418 ' OE2' ' CE ' ' A' ' 38' ' ' LYS . 11.7 pt-20 -111.77 177.62 4.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -53.5 -49.09 68.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.502 HG12 ' H ' ' A' ' 34' ' ' ARG . 59.0 t -93.33 117.29 36.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.084 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.459 ' HG3' ' CZ2' ' A' ' 36' ' ' TRP . 6.0 tp10 -64.84 -42.58 94.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.5 t -55.3 -58.88 5.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.839 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.502 ' H ' HG12 ' A' ' 31' ' ' VAL . 28.8 mtt180 -43.97 -47.89 8.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.883 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 66.3 ttt180 -49.23 -63.91 0.96 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.668 ' CZ3' HG21 ' A' ' 55' ' ' VAL . 8.7 m95 -46.69 -47.14 20.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.926 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 21.0 tp60 -51.42 -46.54 62.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.94 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.478 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 43.4 mttm -58.48 -60.15 4.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.59 HG23 ' HB3' ' A' ' 22' ' ' LEU . 24.5 mt -52.17 -48.17 43.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.153 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -51.61 -57.52 8.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.074 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -38.16 -47.79 1.19 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.822 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -59.08 -49.32 78.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.418 HD22 ' CD ' ' A' ' 15' ' ' GLU . 85.6 mt -61.68 -52.44 64.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 94.73 -58.48 1.84 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 28.2 m-20 -67.93 -43.24 79.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.866 0.365 . . . . 0.0 110.91 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.56 ' HG3' ' CH2' ' A' ' 11' ' ' TRP . 15.6 mmp_? -83.63 160.31 21.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.885 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.459 ' O ' HG23 ' A' ' 51' ' ' VAL . 8.2 p -128.02 169.19 14.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.145 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -48.41 -26.41 2.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.091 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.2 mmtt -79.6 -65.81 0.95 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -48.49 -28.47 3.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.942 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.953 ' O ' HG23 ' A' ' 55' ' ' VAL . 86.3 t -81.33 -37.81 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.085 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.73 -49.67 76.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.045 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -66.43 -42.0 88.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.817 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.455 ' HG3' ' CE1' ' A' ' 58' ' ' TYR . 4.5 tp60 -60.94 -46.89 88.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.953 HG23 ' O ' ' A' ' 51' ' ' VAL . 92.6 t -53.35 -37.48 29.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 47.9 mm-40 -57.5 -48.44 79.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.5 mttp -83.91 23.61 1.0 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.956 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.455 ' CE1' ' HG3' ' A' ' 54' ' ' GLN . 3.1 m-85 -121.96 -33.48 3.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.608 ' O ' HD12 ' A' ' 62' ' ' LEU . 2.4 m-85 -110.76 -44.45 3.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.548 ' O ' HG22 ' A' ' 63' ' ' THR . 79.0 mt -71.95 -49.34 45.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.133 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 60' ' ' ILE . 82.8 tttt -37.92 -44.41 0.78 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.608 HD12 ' O ' ' A' ' 59' ' ' PHE . 16.9 mt -38.31 -50.96 1.5 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.548 HG22 ' O ' ' A' ' 60' ' ' ILE . 8.0 t -39.6 144.27 0.18 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.138 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 35.5 mtpt -39.33 134.55 1.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -80.96 139.34 35.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.108 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 127.22 41.07 0.31 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.501 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.565 HG23 ' HD2' ' A' ' 68' ' ' PRO . 47.4 mt -121.12 136.81 25.99 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.598 0.714 . . . . 0.0 111.145 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.565 ' HD2' HG23 ' A' ' 67' ' ' ILE . 54.2 Cg_endo -69.72 121.37 8.07 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.66 2.24 . . . . 0.0 112.408 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 96.7 t -108.46 137.43 40.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.106 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 14.7 m -134.77 -46.68 0.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.828 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 117.74 78.96 0.67 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.535 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 151.71 69.09 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.687 2.258 . . . . 0.0 112.351 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.6 t 48.74 41.76 18.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.832 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 90.7 p -52.69 -38.17 60.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.474 -179.965 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.481 -0.247 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.0 m -125.62 160.63 29.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.927 0.394 . . . . 0.0 110.835 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.3 p -76.84 153.25 35.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.856 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.81 66.5 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.448 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 t -69.13 -62.57 1.32 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.92 0.391 . . . . 0.0 110.901 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.0 m -100.56 150.9 22.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.841 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.47 78.64 1.35 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.508 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -104.45 79.78 1.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.732 0.301 . . . . 0.0 110.891 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -122.08 80.61 1.73 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.968 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.1 mp -92.48 154.72 18.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.538 ' CZ2' ' HG3' ' A' ' 46' ' ' ARG . 12.4 m95 -51.7 171.87 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.564 HG23 ' H ' ' A' ' 15' ' ' GLU . 10.3 t -119.54 139.93 51.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.411 HG13 ' N ' ' A' ' 14' ' ' GLU . 7.2 p -36.68 -41.52 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.136 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.411 ' N ' HG13 ' A' ' 13' ' ' VAL . 6.2 mm-40 -58.33 -43.96 88.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.564 ' H ' HG23 ' A' ' 12' ' ' THR . 0.0 OUTLIER -80.6 -53.17 6.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.94 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 15' ' ' GLU . 91.0 mt-30 -37.01 -53.15 0.97 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.6 ptmm? -69.03 -38.45 79.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.547 ' CD ' HD11 ' A' ' 22' ' ' LEU . 1.9 tmtp? -57.33 -45.77 83.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.632 HD23 ' CE2' ' A' ' 58' ' ' TYR . 24.8 tp -55.7 -51.51 67.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.946 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -42.07 -49.97 4.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.828 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -63.64 -44.61 93.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.547 HD11 ' CD ' ' A' ' 18' ' ' LYS . 22.4 mt -60.14 -60.24 4.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.468 ' HG ' ' CD1' ' A' ' 19' ' ' LEU . 38.0 mt -34.67 -47.06 0.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 18.5 mt -67.29 -42.36 87.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.487 ' N ' ' O ' ' A' ' 22' ' ' LEU . 13.5 tttp -62.62 -38.62 90.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.528 ' CE1' ' HB3' ' A' ' 38' ' ' LYS . 51.9 m-85 -104.78 92.73 5.39 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.682 0.753 . . . . 0.0 110.924 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 166.86 26.27 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.637 2.225 . . . . 0.0 112.315 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 111.97 2.94 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.702 2.268 . . . . 0.0 112.364 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.43 ' O ' ' C ' ' A' ' 30' ' ' GLU . 9.1 pt-20 -97.14 179.43 4.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.908 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.719 ' HG3' HG23 ' A' ' 31' ' ' VAL . 6.0 pt-20 -36.03 -48.55 0.6 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.719 HG23 ' HG3' ' A' ' 30' ' ' GLU . 1.8 t -111.02 152.14 13.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.165 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.601 ' O ' ' CD1' ' A' ' 36' ' ' TRP . 0.0 OUTLIER -99.62 -21.26 15.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.408 ' H ' HG12 ' A' ' 31' ' ' VAL . 72.1 m -75.91 -19.4 58.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.452 ' CD ' ' N ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -87.7 -46.43 9.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.919 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 34.9 ttt180 -46.35 -41.09 12.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.857 ' CZ3' HG21 ' A' ' 55' ' ' VAL . 11.9 m95 -63.65 -38.02 89.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -57.34 -46.39 83.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.528 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 52.5 mttm -63.93 -45.9 87.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 38.6 mt -61.13 -54.17 38.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.158 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -47.32 -50.72 21.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -46.17 -50.01 16.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.826 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -55.54 -49.65 72.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.522 HD23 ' HD2' ' A' ' 18' ' ' LYS . 20.6 mt -60.41 -58.8 6.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.53 -30.79 6.56 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.427 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -87.07 -47.11 9.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.82 0.343 . . . . 0.0 110.843 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.538 ' HG3' ' CZ2' ' A' ' 11' ' ' TRP . 8.7 mmt180 -86.8 -178.79 6.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.882 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.508 ' O ' HG23 ' A' ' 51' ' ' VAL . 50.5 p -138.22 157.6 45.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.114 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 47' ' ' THR . . . -34.21 -58.51 0.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.126 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.425 ' O ' ' N ' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -54.65 -70.0 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -39.01 -39.29 0.53 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.944 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.651 ' O ' HG23 ' A' ' 55' ' ' VAL . 99.1 t -68.83 -43.04 82.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.114 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 49' ' ' LYS . . . -56.59 -41.63 77.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.065 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.7 t -70.36 -38.52 74.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.858 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.49 ' HG3' ' CE1' ' A' ' 58' ' ' TYR . 6.1 tp60 -66.54 -30.2 70.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.87 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.857 HG21 ' CZ3' ' A' ' 36' ' ' TRP . 79.1 t -64.06 -47.51 89.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.119 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.488 ' OE1' ' CG ' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -51.97 -39.33 59.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.488 ' CG ' ' OE1' ' A' ' 56' ' ' GLN . 33.3 mttt -88.47 20.82 3.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.632 ' CE2' HD23 ' A' ' 19' ' ' LEU . 2.8 m-85 -121.18 -22.4 6.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.49 ' O ' ' CD1' ' A' ' 62' ' ' LEU . 2.5 m-85 -121.93 -30.94 4.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.912 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 35.2 mt -91.24 -23.97 5.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.085 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 41.7 tttp -80.39 -48.0 13.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.925 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.916 HD13 ' N ' ' A' ' 63' ' ' THR . 0.0 OUTLIER -66.38 -4.3 7.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.901 179.901 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.916 ' N ' HD13 ' A' ' 62' ' ' LEU . 9.3 t -51.32 172.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt -125.02 76.49 1.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.5 ' O ' ' N ' ' A' ' 67' ' ' ILE . . . -131.24 -174.84 3.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.158 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 67' ' ' ILE . . . -38.84 -24.94 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.483 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.5 ' N ' ' O ' ' A' ' 65' ' ' ALA . 22.1 mt -33.72 132.84 0.37 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.665 0.745 . . . . 0.0 111.151 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 146.34 60.17 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.716 2.277 . . . . 0.0 112.368 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 8.4 p -76.09 138.08 21.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.133 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 49.0 m -116.67 173.3 6.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -133.1 70.21 0.52 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.468 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 105.84 1.55 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.68 2.253 . . . . 0.0 112.358 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 66.9 m 52.51 42.22 31.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.823 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.7 m -110.66 -51.91 2.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.832 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.501 -179.991 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.0 m -153.38 157.55 40.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.867 0.365 . . . . 0.0 110.836 -179.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.5 m -84.38 -60.82 1.96 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.83 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.93 48.24 0.5 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.467 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.7 m -112.57 129.25 56.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.837 0.351 . . . . 0.0 110.875 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.6 t -149.13 153.22 37.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.847 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.66 -142.09 3.57 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.484 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 -91.59 45.43 1.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.736 0.303 . . . . 0.0 110.882 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? -111.23 38.29 2.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.5 mp -73.88 154.51 39.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.936 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.588 ' CG ' ' NE2' ' A' ' 54' ' ' GLN . 12.2 m95 -112.26 173.18 6.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.59 HG23 ' H ' ' A' ' 15' ' ' GLU . 12.7 t -118.32 154.84 31.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.124 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.533 HG13 ' N ' ' A' ' 14' ' ' GLU . 6.1 p -46.52 -49.43 6.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.11 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.533 ' N ' HG13 ' A' ' 13' ' ' VAL . 31.0 mm-40 -51.34 -46.95 62.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.59 ' H ' HG23 ' A' ' 12' ' ' THR . 30.5 mt-10 -68.41 -50.08 55.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -43.3 -48.42 6.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.903 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.487 ' NZ ' HG22 ' A' ' 13' ' ' VAL . 8.2 ptpp? -76.76 -34.87 58.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.867 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.5 tttp -63.67 -66.19 0.58 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 20' ' ' GLU . 10.8 tp -44.17 -58.6 2.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.637 ' O ' HD12 ' A' ' 24' ' ' ILE . 43.3 mt-10 -37.89 -56.75 1.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -59.91 -42.89 94.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.926 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.403 HD13 HG23 ' A' ' 39' ' ' ILE . 30.6 mt -59.45 -38.28 80.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.442 ' O ' ' NH2' ' A' ' 35' ' ' ARG . 73.1 mt -54.15 -51.15 65.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.637 HD12 ' O ' ' A' ' 20' ' ' GLU . 5.3 mp -72.34 -44.13 63.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.3 tttp -56.53 -34.21 66.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.866 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -94.48 122.44 61.04 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.721 0.772 . . . . 0.0 110.909 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 170.1 17.38 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.711 2.274 . . . . 0.0 112.334 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 166.51 27.3 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.666 2.244 . . . . 0.0 112.372 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.499 ' N ' ' OE1' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -139.59 -178.04 5.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.877 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -71.09 -47.69 56.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.91 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.473 ' HB ' ' CG ' ' A' ' 34' ' ' ARG . 22.6 t -117.02 117.73 56.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.132 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.525 ' HG2' ' CE2' ' A' ' 36' ' ' TRP . 6.8 tt0 -32.85 -64.9 0.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.862 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 32' ' ' GLU . 5.4 p -35.85 -56.93 0.69 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.826 -179.748 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.473 ' CG ' ' HB ' ' A' ' 31' ' ' VAL . 23.1 mmt180 -39.66 -51.79 2.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.835 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.442 ' NH2' ' O ' ' A' ' 23' ' ' LEU . 72.1 ttt180 -52.45 -67.14 0.28 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.525 ' CE2' ' HG2' ' A' ' 32' ' ' GLU . 5.5 m95 -44.92 -46.79 11.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.626 ' HA ' ' HB2' ' A' ' 48' ' ' ALA . 2.0 tp-100 -49.19 -34.11 13.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.89 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.5 mttm -75.81 -59.55 2.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.403 HG23 HD13 ' A' ' 22' ' ' LEU . 50.5 mt -48.36 -42.16 11.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.099 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -53.54 -54.28 39.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.083 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -39.42 -48.04 1.88 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -57.06 -53.39 58.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.487 HD13 ' HB2' ' A' ' 46' ' ' ARG . 58.3 mt -56.54 -48.67 76.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 85.05 -31.78 3.64 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.498 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 23.8 m-20 -93.58 -42.18 9.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.853 0.359 . . . . 0.0 110.895 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.505 ' HD2' ' CE2' ' A' ' 11' ' ' TRP . 6.1 mmp_? -86.02 160.48 19.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.444 ' O ' ' C ' ' A' ' 48' ' ' ALA . 2.3 p -125.17 157.75 35.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.166 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.626 ' HB2' ' HA ' ' A' ' 37' ' ' GLN . . . -34.39 -49.86 0.4 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.085 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.71 -68.96 0.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 71.2 mm-40 -42.7 -35.74 1.22 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.939 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.708 ' O ' HG23 ' A' ' 55' ' ' VAL . 75.7 t -73.23 -39.47 56.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.09 -49.02 77.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 61.0 m -67.48 -43.28 81.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.588 ' NE2' ' CG ' ' A' ' 11' ' ' TRP . 5.4 tp60 -55.34 -37.17 67.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.906 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.708 HG23 ' O ' ' A' ' 51' ' ' VAL . 86.6 t -66.85 -35.38 74.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -63.38 -34.52 77.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.0 mttm -97.37 14.92 24.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.813 ' C ' HD21 ' A' ' 62' ' ' LEU . 3.1 m-30 -115.03 -10.87 12.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.429 ' N ' ' CD1' ' A' ' 59' ' ' PHE . 2.0 m-85 -131.67 -56.14 1.0 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.916 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 59.3 mt -58.83 -37.16 64.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.107 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.444 ' NZ ' ' O ' ' A' ' 70' ' ' SER . 26.8 tttt -67.93 -28.57 67.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.813 HD21 ' C ' ' A' ' 58' ' ' TYR . 0.1 OUTLIER -107.84 45.99 0.98 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.976 179.867 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 58.3 m -91.19 -62.38 1.46 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.47 ' HD3' ' N ' ' A' ' 65' ' ' ALA . 0.9 OUTLIER -121.18 140.65 51.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.94 179.904 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.47 ' N ' ' HD3' ' A' ' 64' ' ' LYS . . . -53.18 -51.15 63.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.094 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 65' ' ' ALA . . . -34.72 -42.88 0.36 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.518 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.654 HG23 ' HD2' ' A' ' 68' ' ' PRO . 24.6 mt -62.69 138.61 96.88 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.6 0.714 . . . . 0.0 111.125 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.654 ' HD2' HG23 ' A' ' 67' ' ' ILE . 53.7 Cg_endo -69.71 122.98 9.66 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.667 2.244 . . . . 0.0 112.333 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 98.2 t -105.1 119.54 54.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.102 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.444 ' O ' ' NZ ' ' A' ' 61' ' ' LYS . 77.5 p -145.08 122.4 11.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.863 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -78.34 153.36 39.1 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.484 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 150.08 67.74 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.703 2.269 . . . . 0.0 112.31 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 63.2 p -70.59 147.21 49.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 13.5 t -131.74 108.59 9.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.898 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.506 -179.965 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 m -112.98 117.51 32.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.881 0.372 . . . . 0.0 110.868 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.9 p -122.2 42.0 3.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.844 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.95 -142.15 17.35 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.5 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.2 p -99.24 102.75 14.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.899 0.38 . . . . 0.0 110.891 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.8 t -159.42 163.4 35.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.898 ' HA3' HD12 ' A' ' 10' ' ' LEU . . . 123.0 125.51 3.05 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.493 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.41 ' CG ' ' OE1' ' A' ' 9' ' ' GLN . 7.9 t-20 -88.28 -63.35 1.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.797 0.332 . . . . 0.0 110.899 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.41 ' OE1' ' CG ' ' A' ' 8' ' ' ASN . 2.9 mp0 -108.69 66.9 0.65 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.898 HD12 ' HA3' ' A' ' 7' ' ' GLY . 11.5 mt -106.71 161.5 14.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.53 ' CH2' ' HG3' ' A' ' 46' ' ' ARG . 11.5 m95 -80.21 144.06 33.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.9 t -95.9 147.65 23.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.52 HG13 ' N ' ' A' ' 14' ' ' GLU . 6.9 p -38.44 -48.97 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.106 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.52 ' N ' HG13 ' A' ' 13' ' ' VAL . 17.1 mm-40 -46.04 -68.48 0.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.684 ' OE2' HD22 ' A' ' 43' ' ' LEU . 8.6 mm-40 -48.84 -54.65 14.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 15' ' ' GLU . 39.4 mt-30 -36.43 -40.45 0.24 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.923 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.7 mtmt -71.63 -65.26 0.78 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.515 ' HG2' HD11 ' A' ' 22' ' ' LEU . 33.2 tttp -42.38 -43.59 3.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.938 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.44 HD22 ' CZ3' ' A' ' 11' ' ' TRP . 39.5 tp -62.29 -46.9 86.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -53.06 -46.23 68.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 -69.21 -51.71 35.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.911 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.515 HD11 ' HG2' ' A' ' 18' ' ' LYS . 10.7 mt -52.04 -48.47 64.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.916 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.683 HD21 HG22 ' A' ' 55' ' ' VAL . 18.9 mt -40.7 -43.59 1.99 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.917 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 18.4 mt -76.37 -44.72 35.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.542 ' HD2' ' CE2' ' A' ' 26' ' ' TYR . 2.8 tmtm? -54.24 -39.41 66.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.582 ' CE1' ' HB3' ' A' ' 38' ' ' LYS . 55.3 m-85 -104.07 94.84 7.08 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.624 0.726 . . . . 0.0 110.873 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 164.44 34.55 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.681 2.254 . . . . 0.0 112.371 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 140.1 41.82 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.619 2.213 . . . . 0.0 112.35 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -133.64 173.31 11.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.662 ' HG3' HG23 ' A' ' 31' ' ' VAL . 6.4 pt-20 -42.77 -49.36 5.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.662 HG23 ' HG3' ' A' ' 30' ' ' GLU . 98.9 t -101.46 107.8 22.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.161 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.497 ' HG2' ' CE2' ' A' ' 36' ' ' TRP . 14.0 tt0 -63.51 -34.52 77.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.3 t -51.23 -60.1 3.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.4 ' H ' HG12 ' A' ' 31' ' ' VAL . 32.9 mtp180 -49.34 -52.4 28.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.864 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 55.5 ttt180 -41.27 -45.35 2.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.522 ' CZ3' HG21 ' A' ' 55' ' ' VAL . 13.7 m95 -69.73 -46.89 64.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.48 ' HA ' ' HB2' ' A' ' 48' ' ' ALA . 19.1 tp60 -52.96 -43.77 66.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.878 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.582 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 42.7 mttm -62.52 -45.99 90.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 59.8 mt -62.1 -42.13 93.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.161 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.573 ' HA ' HD12 ' A' ' 43' ' ' LEU . . . -54.7 -58.9 5.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.164 179.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 40' ' ' ALA . 10.1 t0 -34.72 -57.17 0.54 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.837 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -49.66 -56.3 10.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.684 HD22 ' OE2' ' A' ' 15' ' ' GLU . 16.1 mt -51.02 -59.58 4.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.944 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.08 -56.17 0.54 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.489 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 21.4 p-10 -77.4 -53.82 7.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.854 0.359 . . . . 0.0 110.953 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.544 ' HB2' HD13 ' A' ' 43' ' ' LEU . 2.2 mmp_? -67.54 167.33 13.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.491 ' O ' ' N ' ' A' ' 49' ' ' LYS . 10.1 t -140.46 158.6 43.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.113 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.48 ' HB2' ' HA ' ' A' ' 37' ' ' GLN . . . -37.15 -28.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.075 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.491 ' N ' ' O ' ' A' ' 47' ' ' THR . 12.7 tptt -74.76 -71.0 0.37 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.425 ' N ' ' CD ' ' A' ' 50' ' ' GLN . 0.5 OUTLIER -51.08 -36.76 41.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 95.0 t -63.11 -50.43 79.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.123 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.94 -49.86 65.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.083 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 37.4 p -62.61 -28.37 69.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.416 ' O ' ' CD1' ' A' ' 58' ' ' TYR . 20.5 tp60 -76.72 -39.25 52.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.683 HG22 HD21 ' A' ' 23' ' ' LEU . 85.3 t -69.71 -46.18 75.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.483 ' HG3' ' N ' ' A' ' 57' ' ' LYS . 2.6 pt20 -55.14 -37.18 66.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.483 ' N ' ' HG3' ' A' ' 56' ' ' GLN . 58.4 mttt -89.73 19.56 4.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.416 ' CD1' ' O ' ' A' ' 54' ' ' GLN . 2.8 m-30 -116.78 -47.32 2.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.404 ' N ' ' CD1' ' A' ' 59' ' ' PHE . 2.2 m-85 -91.89 -31.7 15.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.886 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 10.6 mt -87.3 -29.34 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.144 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.459 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 25.8 pttt -61.5 -28.6 69.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.477 ' C ' HD12 ' A' ' 62' ' ' LEU . 2.7 pp -86.34 -37.2 18.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.95 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 26.4 m -45.55 128.88 8.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.158 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.0 mtmp? -71.54 -54.13 11.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -74.95 171.33 14.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.121 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 53.34 48.04 60.7 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.477 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 18.7 mm -119.77 127.65 26.29 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.591 0.71 . . . . 0.0 111.119 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 69' ' ' VAL . 54.1 Cg_endo -69.73 107.7 1.91 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.709 2.273 . . . . 0.0 112.369 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.409 ' C ' ' O ' ' A' ' 68' ' ' PRO . 15.0 p -35.17 140.06 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 17.4 m -43.84 147.57 0.46 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.876 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -127.29 152.92 18.9 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.463 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 -17.86 37.13 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.66 2.24 . . . . 0.0 112.321 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 43.5 t -48.73 111.79 0.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.3 t -150.79 177.12 10.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.816 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.496 180.0 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.9 m -126.72 105.73 8.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.888 0.375 . . . . 0.0 110.856 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.7 t -92.67 164.44 13.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.861 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.47 -83.16 0.24 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.51 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.5 p 38.63 42.63 0.61 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.865 0.364 . . . . 0.0 110.823 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.6 p -91.03 128.92 37.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.862 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.59 45.68 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.487 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -42.92 140.14 1.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.813 0.34 . . . . 0.0 110.911 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -117.72 99.17 6.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.2 mp -72.92 158.03 36.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 6.7 m95 -113.46 159.23 19.72 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.495 ' CG2' ' OE2' ' A' ' 15' ' ' GLU . 7.4 t -107.63 142.42 37.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.428 ' C ' ' O ' ' A' ' 12' ' ' THR . 73.1 t -34.21 -52.73 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.163 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -45.51 -60.99 1.87 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.495 ' OE2' ' CG2' ' A' ' 12' ' ' THR . 0.0 OUTLIER -61.6 -50.37 72.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 -179.894 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 15' ' ' GLU . 19.6 mt-30 -36.33 -67.62 0.16 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -66.45 -53.4 35.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 32.1 tttp -39.4 -36.9 0.4 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.6 tp -74.0 -58.94 2.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.953 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.492 ' HA ' HD12 ' A' ' 23' ' ' LEU . 19.5 mt-10 -42.83 -42.96 3.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.836 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -68.45 -47.61 66.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.437 HD13 HG23 ' A' ' 39' ' ' ILE . 49.2 mt -56.55 -43.26 79.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.492 HD12 ' HA ' ' A' ' 20' ' ' GLU . 11.2 mt -48.36 -52.28 22.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.956 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 33.5 mt -62.86 -42.73 97.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.14 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 52.6 tttt -53.68 -56.59 16.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.556 ' CE1' ' HB3' ' A' ' 38' ' ' LYS . 71.5 m-85 -79.89 122.04 82.86 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.673 0.749 . . . . 0.0 110.921 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 160.32 50.14 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.641 2.227 . . . . 0.0 112.317 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 143.06 49.68 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.719 2.279 . . . . 0.0 112.353 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.473 ' OE1' ' N ' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -128.18 -174.27 3.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.9 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -85.2 -33.47 22.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.493 ' O ' ' N ' ' A' ' 33' ' ' SER . 97.4 t -109.47 87.79 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.166 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.523 ' HB2' ' CE2' ' A' ' 36' ' ' TRP . 23.0 pm0 -36.39 -29.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 31' ' ' VAL . 1.1 t -50.47 -70.65 0.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.829 -179.77 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -48.24 -32.38 7.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.853 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 21.6 ttt180 -65.07 -40.71 95.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.774 ' CZ3' HG21 ' A' ' 55' ' ' VAL . 9.7 m95 -74.03 -41.55 61.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 43.9 tp60 -54.89 -51.85 64.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.556 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 32.8 mttm -53.72 -52.77 59.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.87 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.437 HG23 HD13 ' A' ' 22' ' ' LEU . 24.5 mt -58.25 -44.06 87.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.16 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -53.83 -53.3 54.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.102 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -42.45 -53.28 4.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -50.75 -46.36 59.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.618 HD13 ' HB2' ' A' ' 46' ' ' ARG . 19.7 mt -64.19 -42.04 96.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.951 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 81.37 -42.49 2.77 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.502 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -86.34 -45.13 11.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.807 0.337 . . . . 0.0 110.926 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.618 ' HB2' HD13 ' A' ' 43' ' ' LEU . 63.8 mmt-85 -77.89 164.71 24.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.416 ' O ' ' C ' ' A' ' 48' ' ' ALA . 24.9 p -129.16 160.44 32.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 47' ' ' THR . . . -35.74 -56.25 0.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.051 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.49 ' O ' ' N ' ' A' ' 52' ' ' ALA . 8.2 mmmt -54.66 -70.1 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.93 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 49' ' ' LYS . 80.2 mm-40 -38.16 -36.63 0.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.665 ' O ' HG23 ' A' ' 55' ' ' VAL . 85.0 t -75.17 -39.93 43.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.077 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.49 ' N ' ' O ' ' A' ' 49' ' ' LYS . . . -58.78 -53.04 62.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.102 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 21.7 m -57.35 -41.15 79.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.847 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 8.6 tp60 -63.05 -49.9 72.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.774 HG21 ' CZ3' ' A' ' 36' ' ' TRP . 85.7 t -53.3 -34.93 23.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.159 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -56.76 -53.68 55.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.8 mttm -75.0 5.17 5.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -101.39 -33.16 10.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -111.12 -40.97 4.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 49.7 mt -75.26 -33.06 27.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.161 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.424 ' O ' HD13 ' A' ' 67' ' ' ILE . 18.5 tttp -61.22 -52.44 64.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.581 ' C ' HD12 ' A' ' 62' ' ' LEU . 1.0 OUTLIER -60.87 -32.06 71.5 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.929 179.927 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 27.3 m -58.22 126.66 28.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.175 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.416 ' HA ' ' CG1' ' A' ' 67' ' ' ILE . 53.3 pttt -44.51 -46.4 9.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.64 -38.03 83.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.108 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -100.42 47.2 1.27 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.466 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.424 HD13 ' O ' ' A' ' 61' ' ' LYS . 27.5 mm -94.47 129.45 36.69 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.579 0.704 . . . . 0.0 111.128 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 140.03 41.53 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.674 2.25 . . . . 0.0 112.308 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 92.5 t -60.71 -47.38 93.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.151 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 36.7 m -96.9 164.95 12.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.871 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -119.89 79.32 0.32 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.499 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 144.61 54.53 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.64 2.226 . . . . 0.0 112.352 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 34.3 t 40.35 42.0 1.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.838 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 55.3 p -77.29 101.4 6.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.461 -179.975 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.1 m -67.13 166.01 14.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.857 0.361 . . . . 0.0 110.884 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.5 t -122.56 -53.7 1.89 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.856 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.2 -112.64 3.49 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.493 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.3 m -66.56 156.9 33.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.868 0.366 . . . . 0.0 110.874 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.6 m -131.99 -53.51 0.98 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.866 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.65 -133.1 20.9 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.475 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 22.6 m120 -103.32 -53.97 2.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.729 0.3 . . . . 0.0 110.849 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.2 pm0 -149.12 130.36 14.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.946 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.9 mt -105.64 152.48 23.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.516 ' CH2' ' HG3' ' A' ' 46' ' ' ARG . 12.0 m95 -51.02 151.84 2.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.1 p -88.32 176.37 7.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.126 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.519 HG13 ' N ' ' A' ' 14' ' ' GLU . 7.4 p -63.29 -48.05 89.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.144 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.519 ' N ' HG13 ' A' ' 13' ' ' VAL . 70.6 mt-10 -61.64 -53.38 56.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.894 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.63 -51.51 69.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.872 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -44.07 -69.08 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.425 ' HG3' ' N ' ' A' ' 18' ' ' LYS . 3.7 pttm -52.34 -32.38 37.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.425 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 32.1 tttt -63.78 -43.74 95.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.402 ' HB2' ' CZ3' ' A' ' 11' ' ' TRP . 18.9 tp -58.99 -53.25 60.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.937 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -49.41 -51.25 36.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -59.02 -41.98 89.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.923 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.642 HD13 HG23 ' A' ' 39' ' ' ILE . 21.5 mt -63.03 -50.7 69.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.963 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.493 HD13 ' HE1' ' A' ' 59' ' ' PHE . 29.3 mt -50.28 -47.97 55.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.914 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 20.5 mt -65.47 -42.63 93.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.129 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.8 tttp -58.82 -58.34 9.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -78.19 117.08 63.9 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.668 0.747 . . . . 0.0 110.879 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 150.83 68.61 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.648 2.232 . . . . 0.0 112.347 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 118.11 5.49 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.681 2.254 . . . . 0.0 112.285 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 30' ' ' GLU . 11.8 pt-20 -99.04 165.76 11.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.669 ' HG3' HG23 ' A' ' 31' ' ' VAL . 11.7 pt-20 -37.49 -50.58 1.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.669 HG23 ' HG3' ' A' ' 30' ' ' GLU . 86.9 t -88.46 150.7 3.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.427 ' HG2' ' CZ2' ' A' ' 36' ' ' TRP . 34.9 tt0 -94.66 -35.61 12.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 89.4 p -61.71 -50.92 70.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 74.5 mtt180 -52.75 -48.89 66.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.873 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -45.19 -43.35 10.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.827 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.427 ' CZ2' ' HG2' ' A' ' 32' ' ' GLU . 6.4 m95 -69.9 -36.2 75.22 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.948 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.606 HE21 ' HB2' ' A' ' 48' ' ' ALA . 5.9 mm-40 -58.3 -49.33 77.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 36.6 mttm -59.22 -44.9 92.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.845 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.642 HG23 HD13 ' A' ' 22' ' ' LEU . 29.6 mt -61.67 -55.58 23.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.12 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.427 ' O ' ' C ' ' A' ' 41' ' ' ASP . . . -45.67 -52.0 11.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.11 179.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 40' ' ' ALA . 13.8 t0 -36.02 -56.07 0.74 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -53.9 -56.62 16.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.453 HD13 ' HB2' ' A' ' 46' ' ' ARG . 20.6 mt -51.35 -54.81 22.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 90.21 -45.2 2.97 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.483 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -78.8 -45.66 20.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.839 0.352 . . . . 0.0 110.869 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.516 ' HG3' ' CH2' ' A' ' 11' ' ' TRP . 51.2 mmt-85 -81.06 171.83 14.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.582 ' O ' HG23 ' A' ' 51' ' ' VAL . 42.0 p -138.71 158.24 44.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.152 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.606 ' HB2' HE21 ' A' ' 37' ' ' GLN . . . -34.21 -53.55 0.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.071 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.408 ' O ' ' N ' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -58.28 -70.23 0.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.899 179.94 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -42.08 -31.89 0.41 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.979 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.715 ' O ' HG23 ' A' ' 55' ' ' VAL . 93.1 t -75.4 -40.05 41.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.126 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 49' ' ' LYS . . . -57.12 -49.0 77.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.085 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.1 t -55.3 -46.62 76.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.527 ' HG3' ' CE1' ' A' ' 58' ' ' TYR . 7.7 tp60 -61.64 -46.84 88.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.894 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.715 HG23 ' O ' ' A' ' 51' ' ' VAL . 96.7 t -51.22 -41.06 23.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.111 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -55.01 -48.29 73.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.0 mttp -84.39 27.46 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.917 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.527 ' CE1' ' HG3' ' A' ' 54' ' ' GLN . 4.2 m-85 -127.68 -31.85 2.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.493 ' HE1' HD13 ' A' ' 23' ' ' LEU . 2.3 m-85 -113.57 -43.12 3.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 75.9 mt -71.76 -38.85 67.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.135 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 53.0 tttt -52.19 -43.07 63.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.2 mt -62.7 -41.71 99.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.851 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 78.5 m -62.04 -58.4 7.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.134 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.421 ' NZ ' ' HA ' ' A' ' 64' ' ' LYS . 0.6 OUTLIER 43.45 49.58 6.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 179.866 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 67' ' ' ILE . . . -106.93 -174.83 2.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.162 179.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.458 ' O ' ' C ' ' A' ' 67' ' ' ILE . . . -38.39 -25.68 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.45 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.499 ' N ' ' O ' ' A' ' 65' ' ' ALA . 39.6 mt -33.61 132.82 0.36 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.613 0.721 . . . . 0.0 111.129 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 175.97 7.41 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.723 2.282 . . . . 0.0 112.303 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.503 ' O ' HG13 ' A' ' 69' ' ' VAL . 8.5 p -125.05 117.79 51.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 55.7 m -104.66 150.85 24.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.831 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -98.47 145.38 17.72 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.443 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -42.77 3.1 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.644 2.229 . . . . 0.0 112.348 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.2 t -45.14 -69.88 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.2 p -127.41 -37.7 2.0 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.884 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.461 179.971 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.8 t -100.61 42.09 1.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.882 0.372 . . . . 0.0 110.895 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.0 m 45.71 42.23 8.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.916 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.49 134.2 2.38 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.507 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 t -126.79 -39.77 1.95 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.879 0.371 . . . . 0.0 110.87 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.8 t 63.07 43.49 6.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.3 48.34 0.65 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.499 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -172.93 166.04 5.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.799 0.333 . . . . 0.0 110.86 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -73.71 86.13 1.66 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.4 mt -97.14 169.15 10.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.965 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.532 ' CZ2' ' HG2' ' A' ' 54' ' ' GLN . 8.2 m95 -79.62 143.61 34.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 13' ' ' VAL . 10.0 t -96.2 141.86 29.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.152 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.445 ' C ' ' O ' ' A' ' 12' ' ' THR . 90.5 t -33.73 -72.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.106 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.457 ' HA ' ' CE ' ' A' ' 17' ' ' LYS . 19.5 pt-20 -34.03 -45.02 0.19 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.432 ' H ' HG23 ' A' ' 12' ' ' THR . 0.1 OUTLIER -70.64 -49.63 45.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.93 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -42.82 -56.28 3.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.87 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.457 ' CE ' ' HA ' ' A' ' 14' ' ' GLU . 29.5 pttt -70.95 -46.76 61.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.456 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 33.1 tttp -46.3 -44.04 16.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.426 HD22 ' CH2' ' A' ' 11' ' ' TRP . 13.7 tp -63.92 -49.18 73.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -50.93 -43.42 60.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -66.67 -57.91 6.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 23' ' ' LEU . 10.1 mt -46.23 -52.55 12.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.52 HD21 HG22 ' A' ' 55' ' ' VAL . 28.8 mt -37.36 -46.0 0.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 26.3 mt -79.65 -39.58 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.164 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.9 tttm -50.56 -53.96 26.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.501 ' CE1' ' HB3' ' A' ' 38' ' ' LYS . 79.4 m-85 -86.4 122.11 72.18 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.692 0.758 . . . . 0.0 110.915 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 168.24 22.08 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.688 2.258 . . . . 0.0 112.343 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 164.52 34.2 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.669 2.246 . . . . 0.0 112.374 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.464 ' OE1' ' C ' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -146.43 -174.98 4.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -82.54 -32.52 28.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.464 ' C ' ' OE1' ' A' ' 29' ' ' GLU . 39.1 t -108.36 92.17 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.126 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.519 ' HG2' ' CZ2' ' A' ' 36' ' ' TRP . 19.0 tt0 -40.88 -27.48 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 31' ' ' VAL . 2.6 m -65.74 -67.77 0.42 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -42.97 -32.55 0.66 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.415 ' HB2' ' CG ' ' A' ' 29' ' ' GLU . 50.1 ttt180 -59.04 -57.7 11.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.841 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.549 ' CZ3' HG21 ' A' ' 55' ' ' VAL . 10.8 m95 -53.69 -32.78 53.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.449 ' HG2' ' HB2' ' A' ' 48' ' ' ALA . 4.6 mm-40 -61.96 -49.63 75.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.925 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.501 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 45.9 mttt -56.03 -41.32 74.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 22.7 mt -70.13 -55.33 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.46 -50.1 32.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.077 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -43.38 -49.52 6.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -58.19 -45.92 86.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.516 HD13 ' HB2' ' A' ' 46' ' ' ARG . 9.9 mt -60.24 -46.31 90.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 80.98 -38.8 2.39 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.484 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -85.62 -38.29 18.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.837 0.351 . . . . 0.0 110.896 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.516 ' HB2' HD13 ' A' ' 43' ' ' LEU . 15.9 mmt-85 -89.01 176.02 7.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.834 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.44 ' OG1' ' NE2' ' A' ' 50' ' ' GLN . 57.9 p -137.81 160.65 38.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.449 ' HB2' ' HG2' ' A' ' 37' ' ' GLN . . . -43.36 -36.46 1.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.116 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -72.24 -66.18 0.68 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.478 ' OE1' ' N ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -42.22 -38.12 1.67 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.456 ' O ' HG23 ' A' ' 55' ' ' VAL . 93.7 t -72.41 -39.37 62.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.109 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.4 -45.16 69.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.064 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 71.4 m -74.7 -29.72 61.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.532 ' HG2' ' CZ2' ' A' ' 11' ' ' TRP . 7.9 tp60 -71.44 -37.08 71.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.927 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.549 HG21 ' CZ3' ' A' ' 36' ' ' TRP . 78.8 t -69.56 -50.27 52.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.081 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.692 ' HB2' HD12 ' A' ' 60' ' ' ILE . 6.1 pt20 -54.15 -34.12 59.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.461 ' N ' ' HG3' ' A' ' 56' ' ' GLN . 48.7 mttp -89.62 15.85 8.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.404 ' CD1' ' O ' ' A' ' 54' ' ' GLN . 2.7 m-85 -118.85 -25.78 6.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.931 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.423 ' N ' ' CD1' ' A' ' 59' ' ' PHE . 2.1 m-85 -116.98 -40.59 3.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.885 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.692 HD12 ' HB2' ' A' ' 56' ' ' GLN . 11.2 mt -79.63 -22.63 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.119 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 63' ' ' THR . 62.8 tttp -79.6 -54.35 5.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.735 ' C ' HD12 ' A' ' 62' ' ' LEU . 1.4 pp -36.43 -33.39 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.881 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.591 ' N ' HD12 ' A' ' 62' ' ' LEU . 5.0 t -40.58 149.55 0.08 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.144 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.0 mmmm -45.55 148.32 0.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -80.56 41.97 0.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.113 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -123.43 43.25 1.46 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.5 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.56 HG23 ' HD2' ' A' ' 68' ' ' PRO . 62.1 mt -142.16 136.56 15.04 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.626 0.727 . . . . 0.0 111.137 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.56 ' HD2' HG23 ' A' ' 67' ' ' ILE . 53.2 Cg_endo -69.79 162.99 39.98 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.666 2.244 . . . . 0.0 112.349 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 93.5 t -147.56 144.82 19.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 24.9 p -140.29 167.25 22.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -140.17 86.95 0.2 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.499 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -13.3 34.49 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.728 2.285 . . . . 0.0 112.297 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 32.2 m -45.91 129.61 9.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 34.0 p -172.22 147.58 2.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.829 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.45 179.94 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.6 m -112.77 137.55 50.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.837 0.351 . . . . 0.0 110.881 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.2 m -131.88 169.08 16.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.19 71.99 1.22 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.479 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 t -124.22 -44.46 2.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.899 0.38 . . . . 0.0 110.882 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.9 t -41.36 141.45 0.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.4 98.54 0.94 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.439 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -81.99 44.71 0.86 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.8 0.333 . . . . 0.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -128.99 96.65 4.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.636 HD13 ' H ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -83.06 169.74 15.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.934 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.532 ' CH2' ' HG3' ' A' ' 46' ' ' ARG . 11.5 m95 -90.37 139.7 30.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.826 HG22 ' OE1' ' A' ' 15' ' ' GLU . 8.9 t -83.49 140.69 32.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.133 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.448 ' C ' ' O ' ' A' ' 12' ' ' THR . 95.1 t -33.99 -48.85 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.427 ' HA ' ' HZ2' ' A' ' 17' ' ' LYS . 48.8 mm-40 -54.71 -52.48 62.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.826 ' OE1' HG22 ' A' ' 12' ' ' THR . 64.5 mt-10 -64.85 -50.62 65.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -42.95 -69.33 0.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.914 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.467 ' HG3' ' N ' ' A' ' 18' ' ' LYS . 16.4 pttp -57.41 -45.45 84.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.467 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 15.6 tttp -46.4 -62.11 1.5 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.3 tp -45.81 -55.97 5.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -38.82 -44.73 1.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 44.2 mm-40 -69.45 -51.5 35.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.463 HD13 HG23 ' A' ' 39' ' ' ILE . 78.5 mt -51.38 -44.8 62.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.932 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.0 mt -49.17 -46.4 45.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.942 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 32.2 mt -64.33 -47.0 91.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.121 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.6 tttp -59.43 -40.49 86.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.569 ' CE1' ' HB3' ' A' ' 38' ' ' LYS . 52.9 m-85 -104.93 92.18 5.03 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.613 0.721 . . . . 0.0 110.924 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 167.35 24.73 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.666 2.244 . . . . 0.0 112.321 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 145.68 57.9 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.678 2.252 . . . . 0.0 112.316 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -137.09 -175.72 4.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.5 ' HG3' HG23 ' A' ' 31' ' ' VAL . 8.2 pt-20 -53.78 -42.54 68.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.847 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.5 HG23 ' HG3' ' A' ' 30' ' ' GLU . 43.2 t -108.9 107.39 22.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.091 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -64.2 -34.87 79.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 58.3 m -51.92 -57.65 8.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.893 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 29.4 mtt-85 -52.48 -51.56 58.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.918 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 45.3 ttt180 -40.84 -55.49 2.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.847 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.559 ' CZ3' HG21 ' A' ' 55' ' ' VAL . 8.0 m95 -55.48 -50.16 70.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 11.1 tp60 -47.13 -44.67 21.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.928 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.569 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 54.5 mttm -60.21 -48.86 79.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.463 HG23 HD13 ' A' ' 22' ' ' LEU . 42.2 mt -60.89 -50.22 81.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.16 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 41' ' ' ASP . . . -50.77 -58.2 6.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 179.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 40' ' ' ALA . 13.4 t0 -35.34 -51.78 0.6 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -57.75 -54.01 51.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.3 mt -54.65 -49.86 69.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.909 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 82.77 -51.29 4.53 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.476 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -68.65 -42.63 77.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.818 0.342 . . . . 0.0 110.855 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.532 ' HG3' ' CH2' ' A' ' 11' ' ' TRP . 79.4 mmt-85 -89.8 172.25 9.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.449 ' O ' ' C ' ' A' ' 48' ' ' ALA . 32.0 p -130.23 156.73 44.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.144 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 47' ' ' THR . . . -34.08 -57.81 0.47 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.069 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.401 ' HD3' ' C ' ' A' ' 49' ' ' LYS . 0.3 OUTLIER -50.78 -66.49 0.38 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.876 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -40.54 -50.53 2.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.771 ' O ' HG23 ' A' ' 55' ' ' VAL . 80.3 t -54.22 -45.42 67.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.155 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.04 -48.24 73.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.071 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.2 m -57.92 -42.2 84.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.828 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -68.08 -40.74 82.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.771 HG23 ' O ' ' A' ' 51' ' ' VAL . 96.2 t -54.13 -37.62 35.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.113 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -58.15 -46.23 86.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -81.49 16.08 1.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 2.8 m-30 -116.0 -26.24 7.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.97 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.477 ' O ' ' CD1' ' A' ' 62' ' ' LEU . 3.0 m-85 -117.95 -26.62 6.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.913 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 36.1 mt -96.24 -17.73 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.084 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.2 ttpp -87.31 -41.51 13.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.885 HD22 ' O ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -74.23 4.14 6.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.955 179.897 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.483 ' N ' HD13 ' A' ' 62' ' ' LEU . 12.3 t -57.67 162.97 2.74 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.202 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 21.2 pttm -66.09 154.47 39.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.912 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -89.71 -25.85 20.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.107 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -41.39 -34.32 1.03 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.487 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.682 HG23 ' HD2' ' A' ' 68' ' ' PRO . 71.5 mt -41.52 138.68 1.58 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.632 0.729 . . . . 0.0 111.125 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.682 ' HD2' HG23 ' A' ' 67' ' ' ILE . 53.8 Cg_endo -69.77 149.4 66.77 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.725 2.283 . . . . 0.0 112.327 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.759 ' O ' HG13 ' A' ' 69' ' ' VAL . 3.2 p 29.57 39.93 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.504 ' N ' ' O ' ' A' ' 68' ' ' PRO . 3.4 m -34.45 150.79 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.907 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 70' ' ' SER . . . -32.88 96.36 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.498 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.432 ' N ' ' O ' ' A' ' 70' ' ' SER . 53.6 Cg_endo -69.81 -177.32 1.84 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.624 2.216 . . . . 0.0 112.336 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 94.1 p -109.39 170.28 8.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.8 t -88.26 163.04 16.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.852 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.51 179.951 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.3 t -169.31 159.04 8.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.85 0.357 . . . . 0.0 110.834 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.0 m -140.81 131.44 25.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.62 140.81 24.5 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.51 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.3 m -92.86 -57.57 2.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.843 0.354 . . . . 0.0 110.834 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.4 t -132.72 123.2 25.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.844 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.22 105.37 1.96 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.477 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -154.71 111.11 3.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.725 0.297 . . . . 0.0 110.894 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -97.48 118.38 33.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.949 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.7 mt -71.34 161.76 30.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.561 ' CZ2' ' HD2' ' A' ' 46' ' ' ARG . 14.2 m95 -111.01 166.17 11.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.913 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.465 ' O ' ' C ' ' A' ' 13' ' ' VAL . 3.3 t -110.37 142.61 41.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.115 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.465 ' C ' ' O ' ' A' ' 12' ' ' THR . 69.9 t -32.87 -58.03 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.124 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -40.38 -66.64 0.3 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -58.25 -48.8 79.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -40.08 -68.47 0.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.5 -39.32 94.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.941 ' HD2' HD23 ' A' ' 43' ' ' LEU . 6.0 tmtm? -58.49 -27.27 64.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.877 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 20.4 tp -82.93 -51.66 7.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -40.9 -42.51 1.86 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -66.85 -54.0 26.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.471 HD12 ' HD3' ' A' ' 18' ' ' LYS . 10.3 mt -54.15 -48.71 70.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.738 HD21 HG22 ' A' ' 55' ' ' VAL . 7.4 mt -39.94 -47.79 2.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 18.2 mt -69.8 -46.97 72.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.14 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.58 ' HD2' ' CE2' ' A' ' 26' ' ' TYR . 1.8 tmtm? -50.92 -50.54 57.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.58 ' CE2' ' HD2' ' A' ' 25' ' ' LYS . 59.9 m-85 -92.42 106.96 20.29 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.72 0.771 . . . . 0.0 110.924 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 160.39 49.88 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.68 2.253 . . . . 0.0 112.344 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 152.3 69.35 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.705 2.27 . . . . 0.0 112.37 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.449 ' O ' ' C ' ' A' ' 30' ' ' GLU . 14.9 pt-20 -144.55 155.36 43.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 29' ' ' GLU . 1.7 tm-20 -34.43 -50.27 0.42 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.908 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.4 HG12 ' HB3' ' A' ' 33' ' ' SER . 45.7 t -100.58 94.41 3.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.122 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.494 ' HB2' ' CE2' ' A' ' 36' ' ' TRP . 6.2 pt-20 -50.27 -37.3 35.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.4 ' HB3' HG12 ' A' ' 31' ' ' VAL . 33.5 t -44.4 -54.11 6.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.853 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 51.6 mtt-85 -52.78 -45.09 67.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.834 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.499 HH21 HD23 ' A' ' 23' ' ' LEU . 61.2 ttt180 -55.95 -60.67 3.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.826 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.978 ' CZ3' HG21 ' A' ' 55' ' ' VAL . 5.5 m95 -50.61 -37.45 40.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.938 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 55.3 tp60 -61.47 -45.04 95.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.535 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 65.1 mttt -60.1 -47.52 85.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.434 HG23 HD13 ' A' ' 22' ' ' LEU . 25.2 mt -65.28 -52.42 52.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.172 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -43.04 -43.72 4.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.096 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -53.75 -50.65 65.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -60.91 -48.79 80.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.941 HD23 ' HD2' ' A' ' 18' ' ' LYS . 10.3 mt -55.9 -45.37 78.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 77.47 -50.13 3.14 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.507 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 54.3 m-20 -73.5 -46.17 49.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.829 0.347 . . . . 0.0 110.868 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.561 ' HD2' ' CZ2' ' A' ' 11' ' ' TRP . 8.4 mmt180 -90.66 151.11 21.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.493 HG22 ' HG2' ' A' ' 50' ' ' GLN . 1.6 t -107.23 163.61 12.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.127 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -37.69 -49.65 1.15 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.045 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -53.84 -69.46 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.917 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.493 ' HG2' HG22 ' A' ' 47' ' ' THR . 22.4 mm-40 -40.42 -40.08 1.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.809 ' O ' HG23 ' A' ' 55' ' ' VAL . 93.1 t -67.94 -39.65 82.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.152 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 49' ' ' LYS . . . -58.56 -57.67 11.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.059 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 47.7 m -61.78 -38.21 87.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.493 ' CD ' ' CE1' ' A' ' 58' ' ' TYR . 4.0 tp-100 -61.76 -47.48 84.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.915 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.978 HG21 ' CZ3' ' A' ' 36' ' ' TRP . 98.5 t -57.08 -35.89 49.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.158 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -58.34 -51.24 70.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 46.2 mtpt -78.63 10.17 3.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.493 ' CE1' ' CD ' ' A' ' 54' ' ' GLN . 2.7 m-85 -105.16 -32.48 8.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.409 ' CD1' ' N ' ' A' ' 59' ' ' PHE . 2.3 m-85 -110.5 -38.78 5.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.869 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 61.3 mt -68.88 -29.63 44.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.131 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 44.5 tttp -68.7 -34.79 76.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.552 ' O ' HD12 ' A' ' 62' ' ' LEU . 3.5 pp -88.19 33.35 0.74 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.474 HG22 HD11 ' A' ' 67' ' ' ILE . 8.2 t -87.54 167.95 13.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.166 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.9 mtpp -41.88 161.56 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.895 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -43.7 155.39 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.089 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 112.87 44.39 0.82 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.508 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.613 HG23 ' HD2' ' A' ' 68' ' ' PRO . 39.0 mm -117.76 137.83 24.69 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.597 0.713 . . . . 0.0 111.133 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.613 ' HD2' HG23 ' A' ' 67' ' ' ILE . 53.8 Cg_endo -69.78 159.35 53.71 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.708 2.272 . . . . 0.0 112.347 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 60.4 t -114.63 -60.56 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.175 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 10.7 t 39.61 47.16 1.63 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.899 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -172.52 145.02 8.28 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.513 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 157.72 59.41 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.68 2.253 . . . . 0.0 112.336 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.2 t -107.99 162.79 13.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.925 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 70.1 m -129.95 -59.43 1.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.864 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.44 179.978 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.2 p -112.04 115.25 28.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.888 0.375 . . . . 0.0 110.877 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -140.49 169.04 18.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.25 156.86 38.04 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.466 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.5 p -135.63 130.59 34.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.846 0.355 . . . . 0.0 110.895 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.1 t -139.82 117.03 11.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.03 172.12 21.53 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.48 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 21.3 m120 -117.97 147.34 43.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.734 0.302 . . . . 0.0 110.867 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 57.75 46.38 17.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.52 158.33 21.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.924 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.534 ' NE1' ' NH1' ' A' ' 46' ' ' ARG . 31.1 m95 -64.0 145.8 55.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.435 ' O ' ' N ' ' A' ' 15' ' ' GLU . 9.5 t -111.92 145.18 40.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.117 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.417 ' C ' ' O ' ' A' ' 12' ' ' THR . 14.5 p -36.65 -37.1 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.11 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -57.43 -46.56 83.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.922 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.446 ' HB3' ' CZ3' ' A' ' 11' ' ' TRP . 10.2 mm-40 -80.61 -38.37 29.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -53.6 -44.69 69.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.6 ptmt -78.45 -47.42 17.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 51.5 tttt -53.65 -58.65 6.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 22.1 tp -46.95 -53.83 11.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -41.2 -44.45 2.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.89 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 65.6 mm-40 -66.96 -43.63 82.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 23' ' ' LEU . 9.9 mt -63.02 -55.36 26.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.488 HD21 HG22 ' A' ' 55' ' ' VAL . 11.2 mt -38.31 -47.34 1.2 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 47.0 mt -71.12 -49.87 45.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.166 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.54 ' HD3' ' CE2' ' A' ' 26' ' ' TYR . 26.5 tttp -49.62 -43.62 46.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.54 ' CE2' ' HD3' ' A' ' 25' ' ' LYS . 72.4 m-85 -100.11 100.57 11.9 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.678 0.752 . . . . 0.0 110.91 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 167.05 25.53 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.709 2.273 . . . . 0.0 112.336 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 124.96 11.57 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.67 2.247 . . . . 0.0 112.342 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.451 ' O ' ' C ' ' A' ' 30' ' ' GLU . 6.5 pt-20 -119.97 159.51 24.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.681 ' HG3' HG23 ' A' ' 31' ' ' VAL . 13.2 pt-20 -34.33 -50.26 0.41 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.896 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.681 HG23 ' HG3' ' A' ' 30' ' ' GLU . 85.2 t -92.63 135.28 28.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.12 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.52 ' HG2' ' CE2' ' A' ' 36' ' ' TRP . 7.9 tt0 -92.81 -32.2 14.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.0 t -57.96 -63.59 1.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.473 ' HG3' ' N ' ' A' ' 35' ' ' ARG . 14.1 ptp180 -49.3 -39.98 33.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.473 ' N ' ' HG3' ' A' ' 34' ' ' ARG . 63.9 ttt180 -54.51 -42.46 70.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.776 ' CZ3' HG21 ' A' ' 55' ' ' VAL . 13.8 m95 -74.61 -35.81 62.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.482 ' HA ' ' HB2' ' A' ' 48' ' ' ALA . 7.5 tp60 -57.94 -38.02 75.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.928 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 40.6 mttt -69.31 -61.45 1.78 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 53.3 mt -45.77 -47.88 4.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.115 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.516 ' HB1' ' HA ' ' A' ' 47' ' ' THR . . . -63.43 -69.18 0.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.161 179.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -44.13 -28.03 0.45 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -71.36 -41.54 69.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.493 HD13 ' HB2' ' A' ' 46' ' ' ARG . 10.5 mt -62.58 -57.25 11.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 116.96 -29.26 6.91 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.5 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -108.65 -56.67 2.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.819 0.342 . . . . 0.0 110.875 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.534 ' NH1' ' NE1' ' A' ' 11' ' ' TRP . 7.8 mmt180 -60.57 170.67 1.33 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.516 ' HA ' ' HB1' ' A' ' 40' ' ' ALA . 7.1 p -134.47 156.06 49.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.125 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.482 ' HB2' ' HA ' ' A' ' 37' ' ' GLN . . . -36.19 -42.53 0.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 179.791 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 50' ' ' GLN . 3.3 tmtm? -64.12 -69.92 0.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.943 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 49' ' ' LYS . 35.1 mm-40 -36.96 -44.27 0.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.907 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.708 ' O ' HG23 ' A' ' 55' ' ' VAL . 98.8 t -59.52 -53.68 44.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -47.51 -62.15 1.58 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.142 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 86.9 p -47.41 -52.69 16.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.837 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 57' ' ' LYS . 3.8 tp-100 -54.48 -56.33 19.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.929 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.776 HG21 ' CZ3' ' A' ' 36' ' ' TRP . 96.8 t -36.74 -53.32 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.111 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.43 ' HB3' HD12 ' A' ' 60' ' ' ILE . 94.4 mt-30 -57.47 -40.33 78.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 54' ' ' GLN . 14.5 mmtt -77.15 8.73 3.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.424 ' CE1' ' CD ' ' A' ' 54' ' ' GLN . 3.5 m-30 -115.32 -48.52 2.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.445 ' HE1' HD13 ' A' ' 23' ' ' LEU . 2.3 m-85 -91.62 -50.95 5.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.897 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.433 ' O ' HG22 ' A' ' 63' ' ' THR . 12.6 mt -69.02 -36.45 73.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.143 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.439 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 1.0 OUTLIER -49.53 -27.89 4.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 179.882 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.439 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 76.2 mt -54.12 -32.24 54.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.433 HG22 ' O ' ' A' ' 60' ' ' ILE . 12.0 t -42.26 -23.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.131 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 62' ' ' LEU . 31.3 mtmt 53.07 45.53 28.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.505 ' O ' HD12 ' A' ' 67' ' ' ILE . . . -149.41 129.92 13.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.098 179.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.78 -38.68 3.15 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.507 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.811 ' H ' HD12 ' A' ' 67' ' ' ILE . 5.1 mp -47.82 135.32 10.93 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.592 0.711 . . . . 0.0 111.141 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.529 ' HD2' HG23 ' A' ' 67' ' ' ILE . 54.1 Cg_endo -69.76 120.16 6.99 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.709 2.272 . . . . 0.0 112.355 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.41 ' C ' ' O ' ' A' ' 68' ' ' PRO . 85.1 t -37.37 143.22 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.131 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 27.4 m -138.89 157.79 45.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -91.27 147.17 18.71 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.451 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 129.69 18.02 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.651 2.234 . . . . 0.0 112.373 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.0 t -48.13 144.12 3.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.9 m -104.58 134.1 48.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.838 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.508 179.988 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -47.01 130.61 12.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.919 0.39 . . . . 0.0 110.847 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 t -166.9 170.42 12.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.49 107.54 0.32 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.44 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.3 m -88.0 79.75 7.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.904 0.383 . . . . 0.0 110.85 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.1 t -167.73 123.79 1.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.39 170.62 12.57 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.421 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -127.64 157.78 39.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.75 0.309 . . . . 0.0 110.902 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 43.64 47.67 6.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 1.061 HD12 ' N ' ' A' ' 11' ' ' TRP . 0.8 OUTLIER -106.7 135.27 48.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 1.061 ' N ' HD12 ' A' ' 10' ' ' LEU . 49.3 m95 -34.05 134.49 0.18 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.449 ' O ' ' C ' ' A' ' 13' ' ' VAL . 10.8 t -98.68 148.48 23.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.179 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.449 ' C ' ' O ' ' A' ' 12' ' ' THR . 74.5 t -33.93 -55.19 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.162 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -46.11 -57.83 4.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.917 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.467 ' OE1' ' N ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -61.81 -53.24 58.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.925 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -37.25 -69.48 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 30.6 pttt -58.11 -45.19 87.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.943 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 31.3 tttt -47.58 -40.6 19.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 22' ' ' LEU . 13.9 tp -69.69 -61.45 1.78 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.948 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 19' ' ' LEU . 15.1 mt-10 -34.67 -39.17 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 -74.97 -44.7 46.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.936 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' ' 19' ' ' LEU . 13.6 mt -59.37 -39.03 81.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.944 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 44.0 mt -49.77 -49.61 47.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 47.7 mt -64.76 -47.12 89.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.089 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.5 ttmt -56.19 -42.66 77.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.531 ' CE1' ' HB3' ' A' ' 38' ' ' LYS . 52.7 m-85 -104.82 92.47 5.19 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.638 0.733 . . . . 0.0 110.933 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 166.18 28.46 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.651 2.234 . . . . 0.0 112.319 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 152.64 69.23 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.632 2.221 . . . . 0.0 112.381 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 30' ' ' GLU . 2.6 pt-20 -146.89 172.91 12.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 29' ' ' GLU . 9.7 tt0 -37.95 -46.53 0.99 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 94.3 t -115.86 115.41 49.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.102 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.423 ' O ' ' CD1' ' A' ' 36' ' ' TRP . 18.4 pm0 -73.72 -25.24 60.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.2 m -53.33 -54.98 28.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -61.95 -37.9 86.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.873 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 40.2 ttt180 -54.44 -50.09 68.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.612 ' CZ3' HG21 ' A' ' 55' ' ' VAL . 12.8 m95 -60.96 -37.34 82.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.957 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -58.34 -42.72 87.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.531 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 31.0 mttm -62.64 -44.75 95.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.474 HG23 HD13 ' A' ' 22' ' ' LEU . 23.9 mt -65.04 -50.9 72.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.116 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.629 ' HB1' ' O ' ' A' ' 46' ' ' ARG . . . -51.68 -56.71 12.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.148 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -47.45 -35.74 8.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.913 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -71.88 -48.47 45.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.404 HD13 ' CB ' ' A' ' 46' ' ' ARG . 3.7 mt -49.29 -38.28 26.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 121.7 -70.84 0.4 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.487 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -103.39 -40.75 6.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.814 0.34 . . . . 0.0 110.866 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.629 ' O ' ' HB1' ' A' ' 40' ' ' ALA . 9.9 mmt-85 -46.97 142.63 3.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.5 ' HA ' ' HB1' ' A' ' 40' ' ' ALA . 1.8 t -112.56 163.59 14.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.146 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -42.36 -38.11 1.75 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.104 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -60.91 -71.28 0.14 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.496 ' CB ' ' CD ' ' A' ' 46' ' ' ARG . 25.4 mm-40 -36.89 -46.33 0.62 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.928 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.876 ' O ' HG23 ' A' ' 55' ' ' VAL . 96.7 t -66.03 -41.94 90.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 49' ' ' LYS . . . -58.22 -56.01 27.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.059 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 74.8 m -58.07 -46.74 84.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.482 ' NE2' ' CD1' ' A' ' 11' ' ' TRP . 5.9 tp60 -55.62 -50.73 69.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.876 HG23 ' O ' ' A' ' 51' ' ' VAL . 86.6 t -50.2 -30.75 7.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.112 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -63.97 -54.35 35.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.904 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.4 ptpt -72.03 0.57 9.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 4.1 m-30 -102.28 -34.75 9.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.455 ' O ' HD12 ' A' ' 62' ' ' LEU . 2.7 m-85 -110.61 -61.46 1.67 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.863 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 53.1 mt -51.49 -46.88 36.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.149 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 62' ' ' LEU . 50.8 tttt -39.65 -41.59 1.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.455 HD12 ' O ' ' A' ' 59' ' ' PHE . 19.4 mt -36.28 -47.86 0.61 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.427 ' C ' ' O ' ' A' ' 62' ' ' LEU . 15.1 t -34.85 149.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.109 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.3 mtmm -125.34 48.14 2.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -140.36 145.6 37.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.093 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 61.54 31.13 76.53 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.449 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.674 HG23 ' HD2' ' A' ' 68' ' ' PRO . 86.7 mt -131.55 138.64 33.13 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.62 0.724 . . . . 0.0 111.097 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.674 ' HD2' HG23 ' A' ' 67' ' ' ILE . 53.8 Cg_endo -69.79 118.03 5.44 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.691 2.26 . . . . 0.0 112.328 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.551 HG13 ' HA3' ' A' ' 75' ' ' GLY . 94.1 t -46.2 133.07 2.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.132 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 11.8 t -153.85 132.33 12.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 81.61 146.4 5.36 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.467 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 -15.85 36.98 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.683 2.255 . . . . 0.0 112.305 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.2 m -73.92 -71.97 0.3 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.896 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 92.7 p -62.39 -56.7 15.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.551 ' HA3' HG13 ' A' ' 69' ' ' VAL . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.471 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.1 m -116.85 175.44 5.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.876 0.369 . . . . 0.0 110.873 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.1 p -102.77 174.59 5.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.887 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.03 130.02 10.62 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.511 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.5 t -163.9 147.95 10.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.908 0.385 . . . . 0.0 110.842 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.6 m -70.14 143.79 52.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.863 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.86 -119.77 5.86 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.484 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 68.5 40.29 1.97 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.784 0.326 . . . . 0.0 110.903 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -87.9 41.75 1.01 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.6 mt -102.35 159.44 15.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.569 ' CE3' ' HB3' ' A' ' 15' ' ' GLU . 19.7 m95 -39.28 137.64 0.73 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.511 HG22 ' CD ' ' A' ' 15' ' ' GLU . 11.8 t -95.37 169.76 9.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.171 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.47 HG13 ' N ' ' A' ' 14' ' ' GLU . 7.0 p -51.56 -45.33 35.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.149 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.47 ' N ' HG13 ' A' ' 13' ' ' VAL . 16.0 mm-40 -55.09 -63.35 1.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.569 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 1.1 mp0 -53.77 -48.89 69.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -38.71 -67.31 0.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.66 -33.07 72.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.753 ' HG2' HD23 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -61.77 -31.61 71.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.876 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.2 tp -89.14 -43.7 10.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -55.29 -42.51 73.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -67.07 -50.31 62.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 47.2 mt -58.65 -43.41 89.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 46.0 mt -47.99 -42.37 27.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 23.5 mt -65.85 -52.3 51.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.099 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.4 tttp -55.57 -37.91 68.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.574 ' CE1' ' HB3' ' A' ' 38' ' ' LYS . 51.8 m-85 -104.51 93.15 5.56 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.714 0.769 . . . . 0.0 110.931 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 26' ' ' TYR . 54.1 Cg_endo -69.67 163.03 39.73 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.7 2.267 . . . . 0.0 112.364 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 125.19 11.86 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.685 2.256 . . . . 0.0 112.345 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.402 ' OE2' ' O ' ' A' ' 27' ' ' PRO . 2.1 pm0 -113.36 -174.86 2.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -48.61 -49.73 35.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.878 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.577 HG11 ' HD2' ' A' ' 34' ' ' ARG . 18.6 t -109.07 151.46 11.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.162 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.594 ' O ' ' CD1' ' A' ' 36' ' ' TRP . 12.5 pt-20 -99.84 -30.52 11.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 40.9 t -48.84 -66.8 0.34 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.839 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.577 ' HD2' HG11 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -55.44 -42.33 74.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 55.6 ttt180 -52.9 -37.69 60.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.841 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.594 ' CD1' ' O ' ' A' ' 32' ' ' GLU . 15.2 m95 -72.7 -27.15 61.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -67.27 -42.49 83.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.893 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.574 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 37.0 mttp -63.07 -54.87 31.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 40.1 mt -57.59 -48.64 82.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.146 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.745 ' HA ' HD12 ' A' ' 43' ' ' LEU . . . -53.1 -57.38 10.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.094 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -39.16 -49.07 1.81 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -57.82 -56.63 19.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.791 HD13 ' HB2' ' A' ' 46' ' ' ARG . 13.8 mt -42.53 -50.91 5.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 93.35 -34.29 4.67 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.466 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -99.63 -59.74 1.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.821 0.343 . . . . 0.0 110.884 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.791 ' HB2' HD13 ' A' ' 43' ' ' LEU . 67.4 mmt-85 -64.84 167.29 7.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.644 ' O ' HG23 ' A' ' 51' ' ' VAL . 13.0 t -127.57 165.15 20.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.121 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -43.14 -41.37 3.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -69.14 -70.37 0.28 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.554 ' NE2' ' CG2' ' A' ' 47' ' ' THR . 0.2 OUTLIER -40.52 -34.05 0.32 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.644 HG23 ' O ' ' A' ' 47' ' ' THR . 90.4 t -73.15 -40.57 58.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 49' ' ' LYS . . . -58.1 -47.05 84.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 11.5 m -61.48 -49.69 75.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.885 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 14.9 tp60 -51.0 -47.74 61.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.95 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.562 HG21 ' CZ3' ' A' ' 36' ' ' TRP . 76.5 t -53.52 -41.02 43.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.129 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -52.16 -51.14 59.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 45.2 mttt -83.81 21.74 1.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -121.18 -37.55 2.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.936 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.409 ' N ' ' CD1' ' A' ' 59' ' ' PHE . 2.2 m-85 -106.05 -51.6 2.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.866 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 62.5 mt -60.06 -43.11 92.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.153 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 70.5 tttt -49.86 -42.25 47.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.876 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 16.7 mt -63.92 -43.76 94.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.882 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 21.0 m -41.12 -58.83 1.66 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.3 ttmt 64.18 41.78 5.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.886 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -172.82 153.48 2.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.082 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 55.37 40.85 78.2 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.475 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.665 HG23 ' HD2' ' A' ' 68' ' ' PRO . 44.5 mt -113.38 138.6 22.53 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.63 0.728 . . . . 0.0 111.169 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.665 ' HD2' HG23 ' A' ' 67' ' ' ILE . 54.0 Cg_endo -69.75 152.09 69.26 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.683 2.255 . . . . 0.0 112.347 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.437 HG13 ' N ' ' A' ' 70' ' ' SER . 8.2 p -117.58 -42.39 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.105 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.437 ' N ' HG13 ' A' ' 69' ' ' VAL . 15.0 m -122.14 139.54 53.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.839 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -151.29 83.27 0.17 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.503 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -41.55 4.18 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.696 2.264 . . . . 0.0 112.348 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 52.1 m -60.04 129.96 44.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 92.6 p -75.01 -45.8 39.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.259 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.476 -179.994 . . . . . . . . 0 0 . 1 stop_ save_