data_4asw_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 4asw _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 ' 16' ' ' SER . . . . . . . . . . . . . 67.0 m . . . . . 0 N--CA 1.454 -0.247 0 N-CA-C 112.015 0.376 . . . . 10.77 112.015 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 60.48 46.86 9.23 Favored 'General case' 0 CA--C 1.521 -0.136 0 CA-C-O 121.327 0.584 . . . . 8.18 110.646 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.9 m -70.03 171.62 9.23 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.413 -0.812 . . . . 10.11 110.17 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.1 mtmm -54.56 -41.82 70.24 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.249 -0.432 . . . . 11.15 112.064 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.0 pm0 -69.34 -35.38 75.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.506 0.193 . . . . 11.43 111.314 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -64.73 -47.45 78.21 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 121.048 0.452 . . . . 8.91 110.273 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 65.6 mt -69.82 -43.58 79.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.672 -0.694 . . . . 6.78 111.163 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.69 -43.19 72.29 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 112.136 0.421 . . . . 7.12 112.136 -179.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.25 -42.97 92.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 7.6 110.935 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 74.7 mt -69.41 -34.9 75.16 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.162 -0.472 . . . . 5.62 111.34 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 91.8 mt -65.57 -52.12 54.73 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-N 116.267 -0.424 . . . . 4.53 110.516 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.4 m -65.99 -31.66 54.68 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 CA-C-N 116.393 -0.367 . . . . 6.96 110.924 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -66.92 -40.9 87.75 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.849 -0.426 . . . . 7.61 109.849 178.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 29.4 t80 -60.25 -46.84 88.41 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.904 -0.589 . . . . 5.51 109.874 178.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.2 m-30 -61.23 -39.82 91.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.073 -0.512 . . . . 6.35 110.427 179.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.1 m -64.06 -36.46 84.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.838 -0.619 . . . . 8.01 110.329 179.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 17.3 m -67.96 -41.02 83.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.043 -0.526 . . . . 8.27 110.486 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 78.8 mt -60.4 -48.94 86.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 116.171 -0.468 . . . . 8.37 111.34 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.2 m -73.07 -26.02 22.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 112.42 0.526 . . . . 9.63 112.42 -179.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.81 -53.91 43.42 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.85 0.357 . . . . 10.98 111.171 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 22.2 pttt -88.4 8.26 28.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.937 0.399 . . . . 11.09 111.031 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.6 tptm 52.47 68.68 0.79 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.352 -0.84 . . . . 12.07 112.216 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -100.87 4.9 43.14 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.974 -0.557 . . . . 9.58 110.611 179.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 20.1 tt -140.26 149.47 21.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.837 -0.62 . . . . 9.5 109.917 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.6 p -74.23 158.53 33.93 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.387 -0.37 . . . . 10.1 110.725 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -55.48 -24.98 34.31 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.999 -0.546 . . . . 11.9 112.23 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -59.62 -54.71 43.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.187 -0.46 . . . . 10.3 110.466 179.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.99 -16.96 62.12 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.864 -0.684 . . . . 8.75 112.273 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.08 -46.3 88.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.612 0.244 . . . . 8.42 111.557 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -69.19 -29.31 67.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.745 0.307 . . . . 9.73 110.984 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 13.9 m -64.06 -47.63 79.41 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.052 0.453 . . . . 8.02 109.88 178.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 92.1 mt -71.06 -30.01 66.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 6.89 110.0 179.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 18.8 t30 -58.5 -46.67 86.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.333 -0.849 . . . . 9.79 110.631 179.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.7 p -79.79 -37.28 17.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.484 -0.326 . . . . 9.6 111.081 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.16 -39.15 81.6 Favored 'General case' 0 C--N 1.334 -0.078 0 CA-C-O 120.806 0.336 . . . . 7.62 110.989 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 35.2 ttm -58.32 -40.66 82.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.991 -0.549 . . . . 8.19 110.618 179.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.449 ' CG ' ' HZ1' ' C' ' 95' ' ' LYS . 21.6 t70 -69.9 -40.81 75.39 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.753 -0.658 . . . . 11.12 110.876 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 69.8 m -60.15 -41.39 92.64 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 121.06 0.457 . . . . 9.77 109.91 178.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 97.6 mt -64.27 -41.96 93.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.829 -0.623 . . . . 9.06 109.763 179.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.6 m -60.34 -44.31 95.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.789 -0.642 . . . . 10.96 111.429 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -70.14 -37.8 75.36 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.35 -0.386 . . . . 12.89 111.741 -179.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.75 -42.57 97.66 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.677 0.621 . . . . 11.68 112.677 -179.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -88.59 -17.81 29.36 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 112.41 0.522 . . . . 11.93 112.41 -179.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.32 58.33 1.67 Allowed Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.795 -0.717 . . . . 13.13 114.02 178.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 51.6 p90 -151.94 155.47 38.12 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.285 -0.265 . . . . 12.01 110.285 178.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -80.66 143.04 33.37 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.919 0.39 . . . . 14.85 111.539 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 28.0 ttp180 -57.52 -42.29 82.54 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.648 -0.705 . . . . 12.02 111.566 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 22.8 mp0 -88.46 10.47 20.04 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.252 -0.431 . . . . 13.0 112.046 -179.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -100.24 6.1 44.69 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.917 0.389 . . . . 12.82 111.154 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.4 p -61.26 -32.22 52.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.829 -0.623 . . . . 10.88 111.078 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.55 -34.81 77.69 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.883 -0.599 . . . . 12.18 110.999 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -78.89 -38.03 24.34 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.756 -0.735 . . . . 12.77 111.679 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 53.7 mt -62.54 -43.04 98.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.723 0.296 . . . . 11.54 110.728 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 96.9 mt -68.06 -23.1 64.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 10.42 110.601 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -81.41 -50.61 4.98 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.979 -0.629 . . . . 12.46 112.212 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -66.58 -27.22 67.55 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 111.975 0.361 . . . . 14.49 111.975 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.8 m -95.08 162.01 13.89 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.214 -0.662 . . . . 10.83 109.214 178.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 54.7 mm-40 -89.2 56.63 3.73 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.033 0.445 . . . . 10.68 111.232 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -133.65 18.32 3.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.407 0.622 . . . . 8.55 110.052 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.81 129.82 41.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.615 -0.72 . . . . 13.32 110.634 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 80.76 15.81 76.8 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.613 -0.803 . . . . 9.82 111.894 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -132.28 131.57 42.16 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.825 0.345 . . . . 9.22 110.749 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 12.7 m80 -109.17 158.48 17.77 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.756 -0.831 . . . . 9.01 108.756 179.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 24.8 tp -54.48 -33.77 60.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.859 0.361 . . . . 4.77 111.032 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.83 -57.37 8.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.942 -0.572 . . . . 5.96 111.249 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -59.96 -35.65 75.44 Favored 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 111.873 0.323 . . . . 7.82 111.873 -179.526 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 85.5 mt -64.62 -50.77 74.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.685 -0.234 . . . . 5.79 110.682 179.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.9 mp -66.1 -31.51 72.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.304 0.573 . . . . 5.97 110.4 179.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -65.13 -23.71 67.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.456 -0.793 . . . . 9.81 110.995 179.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 12.8 m -93.75 0.74 56.5 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.309 -0.405 . . . . 7.98 111.245 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -93.55 98.82 11.42 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-O 121.213 0.53 . . . . 7.06 111.377 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.7 m -89.02 65.29 7.44 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.074 -0.512 . . . . 9.21 111.322 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -72.03 120.41 17.59 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.141 -0.481 . . . . 9.55 110.009 179.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 45.5 t -104.72 116.48 60.88 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 116.447 -0.342 . . . . 12.15 110.238 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_exo -74.48 102.79 1.6 Allowed 'Trans proline' 0 N--CA 1.462 -0.334 0 C-N-CA 122.883 2.389 . . . . 12.82 111.516 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -93.66 54.78 2.07 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.107 0.48 . . . . 14.19 110.105 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.251 1.134 0 CA-C-O 118.46 -0.781 . . . . 15.67 111.196 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 44.8 ttp . . . . . 0 N--CA 1.479 0.991 0 N-CA-C 110.302 -0.259 . . . . 11.23 110.302 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 13.3 mmt -82.85 59.26 4.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.943 0.402 . . . . 13.11 110.402 178.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 11.6 m 65.94 -164.76 0.23 Allowed 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 115.38 -0.827 . . . . 11.68 110.951 -179.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -128.42 83.0 2.12 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.879 0.371 . . . . 8.3 110.455 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 1.4 m -69.17 141.0 54.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.094 -0.503 . . . . 9.28 110.689 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 49.6 mttp -52.2 -45.84 65.35 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.978 0.733 . . . . 8.73 112.978 -178.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 3.6 pm0 -65.88 -34.17 77.52 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.721 0.296 . . . . 9.58 111.198 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -69.58 -39.58 77.25 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.013 0.435 . . . . 8.61 110.233 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 72.4 mt -68.79 -45.2 81.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 109.375 -0.602 . . . . 5.19 109.375 178.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.72 -37.8 79.88 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.702 -0.681 . . . . 4.42 111.143 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.25 -40.02 92.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.113 -0.494 . . . . 5.79 110.522 179.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 38.3 mt -71.11 -34.16 70.83 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.28 -0.418 . . . . 4.52 110.894 179.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.19 -50.87 74.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 4.37 110.344 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 31.2 m -66.75 -35.1 73.95 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-O 120.917 0.389 . . . . 6.25 110.677 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -63.48 -39.99 95.9 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.12 -0.491 . . . . 7.24 109.777 178.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -59.21 -49.24 78.62 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.72 -0.673 . . . . 7.41 110.377 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -63.33 -38.83 92.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.357 -0.383 . . . . 8.36 110.581 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 42.0 m -63.61 -36.21 83.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.009 -0.541 . . . . 9.5 110.474 178.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 19.2 m -70.61 -14.95 62.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.293 0.568 . . . . 9.77 111.019 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 97.2 mt -89.27 -45.87 15.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.049 -0.523 . . . . 11.09 110.011 179.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 26.9 m -74.38 -24.0 18.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 112.736 0.643 . . . . 12.38 112.736 -179.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -64.7 -24.32 67.53 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 111.93 0.344 . . . . 13.19 111.93 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 23.4 pttm -124.54 14.26 8.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.797 0.332 . . . . 13.7 111.258 -179.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 20.3 ttmm 51.46 55.15 9.86 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.724 -0.671 . . . . 16.11 112.016 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -83.87 -16.53 44.1 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.531 0.682 . . . . 12.56 109.575 179.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 4.7 tp -110.2 160.53 9.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.25 -0.887 . . . . 13.67 109.308 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 2.1 p -69.87 167.18 17.88 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.808 0.337 . . . . 15.14 111.6 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -55.08 -38.22 67.79 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.002 -0.545 . . . . 16.66 111.927 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.46 -45.29 55.05 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.104 -0.498 . . . . 15.52 110.179 179.346 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.77 -39.77 95.76 Favored Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 115.902 -0.59 . . . . 13.62 111.881 179.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.33 -45.51 91.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.839 0.352 . . . . 12.71 110.682 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.31 -43.13 95.66 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.782 -0.645 . . . . 13.38 109.757 179.556 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 19.1 m -62.99 -44.5 95.85 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.318 -0.856 . . . . 11.95 111.413 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 74.2 mt -65.83 -35.42 80.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.764 0.316 . . . . 10.13 111.051 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -58.98 -52.21 66.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.495 . . . . 11.27 110.954 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 14.4 p -70.14 -33.7 55.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.393 -0.367 . . . . 10.04 111.124 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.41 -42.9 96.93 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.829 0.347 . . . . 8.58 110.164 179.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 74.3 mtm -64.07 -36.47 84.12 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.928 -0.578 . . . . 7.93 110.355 179.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.16 -42.23 96.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.822 -0.626 . . . . 9.48 110.362 179.446 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 35.9 m -62.3 -43.39 98.94 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.652 -0.704 . . . . 8.46 110.468 179.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 87.9 mt -62.81 -43.27 98.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 6.23 110.313 179.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 19.8 m -59.71 -52.07 67.08 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.732 -0.667 . . . . 7.39 112.326 -179.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -68.83 -29.63 68.0 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.781 0.66 . . . . 8.81 112.781 -178.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.26 -39.14 65.64 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.865 0.32 . . . . 7.38 111.865 -179.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -83.97 -29.35 27.1 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.136 0.421 . . . . 8.09 112.136 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 104.01 48.05 1.19 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.675 -0.774 . . . . 9.43 112.994 179.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 36.4 p90 -154.11 177.64 10.86 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.829 -0.434 . . . . 8.7 109.829 179.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -118.44 146.77 44.21 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.707 0.289 . . . . 11.16 110.62 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 14.0 ttp-105 -64.84 -31.38 72.59 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.328 0.585 . . . . 11.12 109.923 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -77.69 0.16 24.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.836 -0.62 . . . . 11.8 111.053 179.344 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -116.29 12.92 15.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.159 -0.473 . . . . 10.53 110.879 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 14.1 p -63.12 -34.47 66.91 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-N 116.156 -0.474 . . . . 9.19 111.12 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.37 -35.36 80.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.112 -0.494 . . . . 10.94 110.539 179.555 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -71.26 -35.6 63.77 Favored Glycine 0 N--CA 1.446 -0.636 0 CA-C-N 115.675 -0.693 . . . . 11.05 112.065 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 56.6 mt -71.04 -51.08 37.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 109.66 -0.496 . . . . 9.74 109.66 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 96.6 mt -62.24 -29.57 70.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.997 -0.547 . . . . 9.17 110.998 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -67.05 -26.52 73.31 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 121.175 -0.536 . . . . 11.56 112.381 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 53.8 mttp -92.49 -44.24 8.75 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.768 -0.456 . . . . 12.67 109.768 179.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' SER . . . . . 0.402 ' C ' ' H ' ' B' ' 74' ' ' PHE . 68.9 m -63.68 161.78 14.38 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.582 -0.735 . . . . 9.82 111.738 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -81.77 20.75 0.91 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.74 -0.664 . . . . 10.24 110.565 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . 0.402 ' H ' ' C ' ' B' ' 72' ' ' SER . 44.5 m-85 -110.48 11.83 23.03 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.983 -0.553 . . . . 7.84 110.589 -179.389 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -64.87 119.81 11.36 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.823 -0.626 . . . . 11.89 110.421 179.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 90.24 9.41 65.33 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.718 -0.753 . . . . 8.65 111.756 -179.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 14.9 mm-40 -126.97 166.69 17.05 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.122 -0.325 . . . . 7.81 110.122 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 19.8 m80 -135.27 165.32 25.7 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.426 -0.583 . . . . 8.35 109.426 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 18.1 tp -62.48 -29.65 70.69 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.321 -0.399 . . . . 4.32 110.99 179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.89 -57.48 6.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.033 -0.53 . . . . 5.79 112.289 -179.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.58 -39.17 90.23 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 112.748 0.647 . . . . 6.75 112.748 -179.094 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.38 -45.88 94.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 120.903 0.382 . . . . 4.76 111.026 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 5.5 mp -69.51 -28.33 65.95 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.191 0.519 . . . . 5.48 110.953 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -69.82 -45.63 67.44 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.069 -0.514 . . . . 8.15 110.415 179.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 3.8 p -70.43 -40.13 73.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 6.84 110.468 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.16 114.71 3.59 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 109.536 -0.542 . . . . 6.55 109.536 178.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 6.5 m -130.83 127.58 38.91 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.238 -0.437 . . . . 8.4 111.687 -178.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 34.9 mmm-85 -124.19 142.31 51.34 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.907 -1.146 . . . . 10.77 107.907 178.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 21.8 t -113.28 107.25 53.91 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-O 120.731 0.301 . . . . 11.96 110.768 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo . . . . . 0 C--O 1.234 0.312 0 C-N-CA 123.062 2.508 . . . . 13.1 112.037 179.955 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 59.1 t . . . . . 0 C--O 1.231 0.116 0 N-CA-C 109.304 -0.628 . . . . 9.99 109.304 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 21' ' ' HIS . . . . . . . . . . . . . 38.2 t60 -81.74 117.12 21.8 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.315 -0.402 . . . . 9.56 111.07 -178.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 22' ' ' LEU . . . . . . . . . . . . . 97.4 mt -124.73 147.8 48.43 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.017 0.437 . . . . 6.88 111.581 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 23' ' ' THR . . . . . . . . . . . . . 11.9 m -113.88 120.61 41.32 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.727 -0.67 . . . . 8.91 109.423 179.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 24' ' ' LEU . . . . . . . . . . . . . 39.8 mt -99.83 116.1 31.12 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.666 0.27 . . . . 8.66 110.299 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -131.15 132.3 44.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.249 -0.432 . . . . 14.0 111.417 -179.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 8.4 ttpp -96.26 127.84 42.62 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.432 -0.581 . . . . 14.52 109.432 178.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 27' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -78.66 -28.51 14.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 112.675 0.62 . . . . 14.88 112.675 -179.194 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.1 134.44 35.25 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 110.088 -0.338 . . . . 15.23 110.088 179.785 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.74 138.44 77.62 Favored Pre-proline 0 C--N 1.331 -0.238 0 O-C-N 123.316 0.385 . . . . 18.5 111.49 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 30' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -74.91 132.41 27.43 Favored 'Cis proline' 0 C--N 1.348 0.54 0 C-N-CA 123.177 -1.593 . . . . 17.48 112.012 -0.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 45.1 mtmt -83.9 92.89 7.9 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.033 -0.531 . . . . 17.92 111.512 -179.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 43.7 p90 -91.31 159.69 15.89 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 110.02 -0.363 . . . . 13.5 110.02 178.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 33' ' ' SER . . . . . . . . . . . . . 19.9 m -147.52 115.34 6.44 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.366 -0.379 . . . . 12.59 110.582 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 6.0 pt -131.1 144.03 39.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.135 -0.484 . . . . 10.72 110.722 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 35' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -117.71 138.81 51.76 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.223 -0.444 . . . . 10.54 110.411 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 36' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -153.25 163.86 39.14 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.376 -0.374 . . . . 10.1 110.809 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -106.75 127.6 53.52 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.93 -0.577 . . . . 9.77 109.792 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 38' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -114.18 -168.92 1.43 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.194 -0.457 . . . . 9.82 110.115 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.76 152.81 51.96 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.448 -0.342 . . . . 11.97 110.217 179.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -69.04 -18.78 40.24 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.521 2.147 . . . . 12.89 111.478 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.34 -5.01 59.34 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.718 -0.674 . . . . 14.73 110.915 179.721 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -86.59 154.86 20.73 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.191 -0.458 . . . . 11.77 110.261 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 21.8 p -109.9 175.68 5.35 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.277 -0.42 . . . . 11.41 109.952 179.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 45.7 mm -60.5 -28.33 42.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.192 0.52 . . . . 8.13 109.867 178.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 47.8 tp -62.23 -35.6 79.43 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.616 -0.72 . . . . 12.88 110.787 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 46' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -63.54 -37.78 88.64 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-N 116.364 -0.38 . . . . 12.59 110.86 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 61.7 mt -65.04 -42.96 95.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 109.492 -0.558 . . . . 8.04 109.492 178.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -61.67 -44.7 96.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.689 -0.687 . . . . 10.51 110.091 179.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -61.32 -42.1 98.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.696 -0.684 . . . . 14.34 109.915 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -63.98 -41.28 97.57 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.68 -0.691 . . . . 11.16 110.521 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 19.5 mt -59.73 -39.84 86.04 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 120.873 0.368 . . . . 12.37 111.572 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 52' ' ' ILE . . . . . . . . . . . . . 61.1 mt -67.81 -37.79 79.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 109.575 -0.528 . . . . 15.35 109.575 178.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 4.8 m -63.94 -31.59 72.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.004 -0.543 . . . . 15.02 111.0 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 54' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -86.56 9.35 18.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.466 -0.334 . . . . 14.38 110.674 179.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 56.31 44.38 24.8 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.762 -0.654 . . . . 18.85 112.358 179.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 32.7 mmtm -115.83 0.33 13.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.25 -0.432 . . . . 14.91 110.933 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -155.43 162.82 40.68 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.915 -0.584 . . . . 15.28 109.645 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 58' ' ' SER . . . . . . . . . . . . . 8.5 t -105.38 -58.82 1.85 Allowed 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.788 -0.365 . . . . 17.75 111.981 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 59' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -118.06 156.07 29.25 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.857 0.36 . . . . 19.98 111.944 -179.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 32.8 mm -65.0 -37.05 79.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.538 -0.755 . . . . 14.55 110.832 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.37 -14.55 63.02 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.751 -0.659 . . . . 14.99 112.755 -179.028 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -89.52 -19.89 24.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.806 0.336 . . . . 16.71 110.71 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 63' ' ' ILE . . . . . . . . . . . . . 11.4 mt -92.12 108.94 20.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 112.625 0.602 . . . . 11.09 112.625 -177.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 64' ' ' LYS . . . . . . . . . . . . . 70.0 tttt -118.54 109.0 15.67 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.825 -0.806 . . . . 10.01 108.825 177.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 80.9 mt -91.86 148.84 21.92 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.215 -0.448 . . . . 5.92 111.708 -178.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 3.3 mp -139.96 151.67 45.73 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.01 -0.541 . . . . 7.57 110.968 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 57.2 tp -139.77 110.97 6.98 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.999 -0.546 . . . . 7.44 109.79 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 59.96 27.84 17.28 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 116.148 -0.478 . . . . 13.3 111.497 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 99.28 -22.54 40.26 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.885 -0.674 . . . . 8.93 112.562 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.03 122.63 28.06 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.671 0.272 . . . . 9.68 110.736 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 71' ' ' VAL . . . . . . . . . . . . . 40.9 t -69.28 128.58 32.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.169 -0.469 . . . . 7.05 110.741 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 53.2 mt -90.17 108.73 19.92 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.053 -0.522 . . . . 5.9 110.272 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 73' ' ' HIS . . . . . . . . . . . . . 6.4 m170 -82.58 156.1 24.13 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.004 -0.544 . . . . 9.1 111.522 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -57.51 -32.36 66.95 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 113.049 0.759 . . . . 9.91 113.049 -178.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 75' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -77.72 -4.22 45.1 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.659 0.615 . . . . 13.96 112.659 -179.081 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 76' ' ' LEU . . . . . . . . . . . . . 28.0 tp -84.41 134.52 34.47 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.889 0.376 . . . . 9.58 110.737 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -89.44 152.36 21.52 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.784 -0.644 . . . . 14.32 110.313 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 23.2 mt -68.16 -15.33 63.54 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.208 -0.451 . . . . 9.58 111.185 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.01 -19.49 60.05 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.967 -0.56 . . . . 12.92 110.944 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 80' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.76 0.96 47.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.287 -0.415 . . . . 12.44 111.132 -179.609 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 33.8 mt -72.71 122.64 21.82 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.526 -0.306 . . . . 10.15 110.64 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 82' ' ' LYS . . . . . . . . . . . . . 27.6 mmtt -82.36 58.12 3.95 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.122 -0.49 . . . . 12.59 109.718 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 5.3 m -97.48 128.28 48.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.965 -0.561 . . . . 11.5 112.134 -179.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 84' ' ' THR . . . . . . . . . . . . . 58.5 p -125.26 175.11 3.28 Favored Pre-proline 0 C--N 1.319 -0.752 0 N-CA-C 107.845 -1.169 . . . . 13.96 107.845 179.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 85' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -55.63 -19.44 23.84 Favored 'Trans proline' 0 CA--C 1.533 0.446 0 C-N-CA 122.635 2.223 . . . . 14.91 112.932 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -87.37 -44.32 11.46 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.145 0.424 . . . . 15.11 112.145 -179.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 87' ' ' ASN . . . . . . . . . . . . . 29.1 p-10 -111.98 46.74 1.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.14 0.495 . . . . 12.37 112.135 -178.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.66 6.14 13.58 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.035 0.445 . . . . 10.56 111.318 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 89' ' ' THR . . . . . . . . . . . . . 6.3 m -101.33 123.45 45.45 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.121 -0.491 . . . . 9.87 111.249 -179.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 90' ' ' ILE . . . . . . . . . . . . . 45.8 mm -95.83 132.06 40.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.377 -0.601 . . . . 6.59 109.377 179.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 91' ' ' THR . . . . . . . . . . . . . 4.6 m -77.83 115.11 17.33 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.281 -0.418 . . . . 8.75 110.685 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 92' ' ' VAL . . . . . . . . . . . . . 38.8 t -99.46 109.02 23.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.29 -0.414 . . . . 9.58 111.231 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 93' ' ' MET . . . . . . . . . . . . . 21.4 mmm -106.49 122.58 46.58 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.322 -0.622 . . . . 10.9 109.322 178.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 94' ' ' ILE . . . . . . . . . . . . . 84.7 mt -120.41 118.45 56.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 120.83 0.348 . . . . 13.44 110.799 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 95' ' ' LYS . . . . . 0.449 ' HZ1' ' CG ' ' A' ' 52' ' ' ASP . 3.4 mmtp . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.111 -0.495 . . . . 14.95 110.856 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.597 0.237 . . . . 10.77 110.45 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 59.64 38.56 21.97 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.552 0.691 . . . . 8.18 109.472 -178.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.4 m -61.93 157.13 19.2 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 114.603 -1.18 . . . . 10.11 111.179 -179.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.7 mtmm -55.88 -42.0 75.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.463 -0.335 . . . . 11.15 111.271 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -65.26 -36.22 83.44 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.261 -0.427 . . . . 11.43 111.531 179.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -59.97 -44.53 94.4 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-O 121.385 0.612 . . . . 8.91 110.017 179.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 49.7 mt -76.92 -45.24 31.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.326 -0.852 . . . . 6.78 111.4 -179.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.72 -46.52 77.71 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.409 -0.359 . . . . 7.12 111.946 -179.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.72 -39.94 86.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.432 -0.349 . . . . 7.6 111.121 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 92.1 mt -69.07 -37.35 78.45 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.329 -0.396 . . . . 5.62 111.451 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 92.9 mt -65.23 -54.56 27.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 CA-C-N 116.245 -0.434 . . . . 4.53 111.452 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 20.8 m -64.43 -35.25 73.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.549 -0.296 . . . . 6.96 111.726 -179.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -66.02 -38.85 89.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.087 0.47 . . . . 7.61 110.068 179.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -62.52 -48.36 79.89 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.775 -0.648 . . . . 5.51 110.32 179.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -64.0 -38.06 89.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 6.35 110.878 179.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 49.3 m -64.18 -35.43 80.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 8.01 110.709 178.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.4 m -70.25 -31.7 69.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.122 0.487 . . . . 8.27 110.11 179.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 96.3 mt -65.35 -49.32 79.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.716 -0.674 . . . . 8.37 110.725 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 30.7 m -75.54 -20.05 15.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.581 -0.281 . . . . 9.63 111.577 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -63.8 -54.92 27.54 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.046 -0.525 . . . . 10.98 111.403 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.1 pttp -95.9 14.93 21.85 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.166 0.432 . . . . 11.09 112.166 -179.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.1 tttm 56.48 60.14 3.27 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.668 -0.696 . . . . 12.07 112.242 179.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 -82.51 -24.97 33.85 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.017 -0.538 . . . . 9.58 110.971 179.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 15.3 tt -119.91 160.71 20.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.017 -0.538 . . . . 9.5 110.662 -179.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -74.18 163.31 28.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.718 -0.219 . . . . 10.1 110.661 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.5 mp0 -55.86 -34.8 65.79 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.903 0.382 . . . . 11.9 111.239 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.422 ' CG ' ' HZ2' ' C' ' 70' ' ' LYS . 35.4 t70 -55.74 -37.96 69.16 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.618 -0.719 . . . . 10.3 111.174 179.555 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -88.51 -27.35 25.09 Favored Glycine 0 N--CA 1.447 -0.581 0 CA-C-N 115.783 -0.644 . . . . 8.75 111.618 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.48 -49.43 76.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.626 0.25 . . . . 8.42 111.268 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -62.65 -32.74 73.84 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.279 0.561 . . . . 9.73 110.484 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 13.3 m -68.27 -42.94 78.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.517 -0.765 . . . . 8.02 110.125 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 94.0 mt -69.9 -32.76 71.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.391 -0.368 . . . . 6.89 110.315 179.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 36.7 t30 -56.3 -50.07 72.46 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.61 -0.723 . . . . 9.79 111.154 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 6.6 p -75.46 -39.47 40.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.438 -0.346 . . . . 9.6 111.47 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.22 -47.32 86.64 Favored 'General case' 0 C--N 1.333 -0.123 0 N-CA-C 112.035 0.383 . . . . 7.62 112.035 -179.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 13.8 mtm -59.62 -36.67 76.79 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.956 0.354 . . . . 8.19 111.956 -179.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.15 -45.02 93.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.933 0.397 . . . . 11.12 110.406 179.433 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 57.0 m -67.7 -32.51 73.2 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.015 -0.539 . . . . 9.77 111.077 179.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 96.6 mt -70.78 -39.06 75.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 121.194 0.521 . . . . 9.06 109.74 178.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 25.2 m -62.95 -46.0 89.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.722 -0.672 . . . . 10.96 111.366 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -70.12 -24.32 63.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.936 0.398 . . . . 12.89 111.986 -179.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.3 -33.63 71.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 11.68 111.352 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -94.77 -24.0 17.28 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.327 -0.397 . . . . 11.93 111.792 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 96.32 45.6 2.75 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.667 -0.778 . . . . 13.13 113.228 179.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 30.0 p90 -149.97 159.88 44.05 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.839 -0.43 . . . . 12.01 109.839 179.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -97.55 144.57 27.1 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.812 0.339 . . . . 14.85 110.724 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 22.6 ttp180 -60.66 -28.96 68.99 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.243 0.544 . . . . 12.02 110.32 179.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -82.53 1.04 39.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.031 -0.531 . . . . 13.0 111.452 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -111.75 11.17 20.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.851 0.358 . . . . 12.82 111.487 -179.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.4 p -59.99 -40.7 83.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.46 -0.336 . . . . 10.88 111.139 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.1 -32.39 73.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.314 -0.403 . . . . 12.18 110.879 179.519 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -71.33 -42.01 57.85 Favored Glycine 0 N--CA 1.448 -0.526 0 N-CA-C 111.53 -0.628 . . . . 12.77 111.53 179.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 59.1 mt -65.53 -41.91 91.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.015 0.436 . . . . 11.54 110.336 179.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 97.3 mt -67.1 -27.79 67.64 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.109 -0.496 . . . . 10.42 111.172 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -73.12 -26.59 70.37 Favored Glycine 0 C--N 1.33 0.234 0 C-N-CA 121.096 -0.573 . . . . 12.46 112.711 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -95.75 -16.23 22.07 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.081 0.467 . . . . 14.49 110.855 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.0 m -96.32 163.66 12.98 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.134 -0.484 . . . . 10.83 110.605 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -87.6 51.69 2.29 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.07 0.462 . . . . 10.68 110.611 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -133.32 35.94 3.43 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.798 -0.637 . . . . 8.55 109.605 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm -57.84 107.38 0.45 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.306 -0.861 . . . . 13.32 112.055 -179.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 71.82 16.82 76.44 Favored Glycine 0 N--CA 1.453 -0.2 0 CA-C-N 115.703 -0.681 . . . . 9.82 113.406 179.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -104.15 144.5 31.49 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 122.687 -0.302 . . . . 9.22 110.679 -179.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 4.2 m80 -119.92 153.41 35.94 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.938 -0.393 . . . . 9.01 109.938 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 47.6 tp -53.13 -38.42 62.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.969 -0.56 . . . . 4.77 112.08 -179.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.87 -58.89 6.2 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.275 0.472 . . . . 5.96 112.275 -179.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -62.12 -38.83 90.43 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.424 0.527 . . . . 7.82 112.424 -179.328 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.88 -50.25 80.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.519 0.199 . . . . 5.79 110.89 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 16.1 tp -63.28 -36.92 85.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.114 0.483 . . . . 5.97 110.728 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -67.35 -25.02 65.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.76 -0.654 . . . . 9.81 111.043 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.9 m -93.48 3.48 55.49 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.923 0.392 . . . . 7.98 111.467 -179.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -105.99 85.26 2.18 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.085 0.469 . . . . 7.06 110.504 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.53 128.78 37.6 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.883 -0.599 . . . . 9.21 111.176 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -129.53 96.85 4.37 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.885 -0.598 . . . . 9.55 109.667 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 1.6 m -87.96 121.23 70.8 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 116.266 -0.425 . . . . 12.15 111.394 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -76.91 109.59 2.88 Favored 'Trans proline' 0 N--CA 1.461 -0.427 0 C-N-CA 122.767 2.312 . . . . 12.82 111.97 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -94.6 93.03 7.34 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.117 -0.492 . . . . 14.19 110.228 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.656 -0.688 . . . . 15.67 110.554 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 59.6 ttp . . . . . 0 N--CA 1.482 1.16 0 N-CA-C 111.579 0.215 . . . . 11.23 111.579 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 23.4 mmt -75.52 82.07 2.55 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.728 -0.471 . . . . 13.11 109.728 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 72.3 m 67.56 99.18 0.05 Allowed 'General case' 0 C--N 1.332 -0.177 0 O-C-N 123.808 0.693 . . . . 11.68 110.219 -178.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.99 95.81 0.01 OUTLIER 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.81 -0.632 . . . . 8.3 111.938 -179.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 14.4 m -96.14 160.32 14.5 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.412 -0.813 . . . . 9.28 109.989 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -53.72 -41.64 67.23 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.197 0.444 . . . . 8.73 112.197 -179.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -61.37 -44.89 96.4 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 111.844 0.313 . . . . 9.58 111.844 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -62.74 -42.53 99.71 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 120.92 0.39 . . . . 8.61 110.779 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 46.3 mt -70.15 -46.37 72.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.977 -0.556 . . . . 5.19 111.138 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.38 -42.48 77.93 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.189 -0.459 . . . . 4.42 111.673 -179.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.2 -40.38 81.43 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.119 -0.491 . . . . 5.79 110.983 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 80.4 mt -73.38 -36.92 66.13 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.195 -0.457 . . . . 4.52 111.135 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 90.6 mt -62.82 -51.8 67.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.419 -0.355 . . . . 4.37 110.802 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 29.3 m -66.91 -33.05 60.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.78 0.324 . . . . 6.25 111.072 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -66.5 -44.0 83.78 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.27 -0.423 . . . . 7.24 110.163 179.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -57.0 -49.74 74.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.707 -0.679 . . . . 7.41 110.591 179.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -61.21 -40.04 92.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.239 -0.437 . . . . 8.36 110.803 179.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 39.0 m -64.15 -43.55 94.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.034 -0.53 . . . . 9.5 110.548 179.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 48.8 m -66.01 -19.68 65.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.352 -0.385 . . . . 9.77 111.351 179.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 79.6 mt -81.95 -48.43 18.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.312 -0.404 . . . . 11.09 110.036 178.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 34.7 m -74.44 -33.76 34.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 113.043 0.757 . . . . 12.38 113.043 -178.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -65.4 -28.5 69.3 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 112.284 0.476 . . . . 13.19 112.284 -179.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -103.43 7.95 37.98 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.951 0.405 . . . . 13.7 110.493 179.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 53.37 47.42 24.22 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.542 -0.754 . . . . 16.11 112.658 179.781 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -70.96 -48.99 50.28 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.938 -0.574 . . . . 12.56 109.84 179.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 18.2 tt -98.83 153.51 4.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.091 -0.504 . . . . 13.67 109.827 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.28 153.48 43.57 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.689 -0.232 . . . . 15.14 110.598 179.741 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 38.6 mp0 -55.23 -30.95 61.04 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 122.874 0.47 . . . . 16.66 112.127 -179.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -58.92 -41.28 86.93 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.807 0.337 . . . . 15.52 110.618 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -92.07 -29.09 11.98 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.959 -0.639 . . . . 13.62 112.149 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.47 -33.14 74.26 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.757 0.313 . . . . 12.71 110.623 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . 0.424 ' CG ' ' HZ2' ' C' ' 25' ' ' LYS . 0.5 OUTLIER -59.39 -47.95 83.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.743 -0.662 . . . . 13.38 110.144 179.318 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 1.6 m -63.37 -39.96 95.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.682 -0.69 . . . . 11.95 110.802 179.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 89.8 mt -65.45 -37.12 85.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.887 0.375 . . . . 10.13 110.875 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -64.61 -48.57 74.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.975 -0.557 . . . . 11.27 111.426 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 27.3 m -69.16 -36.76 74.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 112.031 0.382 . . . . 10.04 112.031 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.44 -34.61 78.33 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.51 -0.552 . . . . 8.58 109.51 178.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 32.9 ttm -62.34 -35.95 80.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.366 -0.834 . . . . 7.93 110.002 178.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -64.07 -44.34 92.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.828 -0.624 . . . . 9.48 110.16 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 74.0 m -58.45 -43.67 88.91 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.773 -0.648 . . . . 8.46 110.628 179.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 88.6 mt -62.31 -46.43 96.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.888 -0.597 . . . . 6.23 110.056 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 13.7 m -62.14 -45.99 91.0 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.704 -0.68 . . . . 7.39 111.536 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -66.62 -41.34 88.5 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.373 -0.376 . . . . 8.81 111.919 -179.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.13 -35.96 82.48 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.56 0.578 . . . . 7.38 112.56 -179.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -88.36 -17.49 30.46 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.19 0.441 . . . . 8.09 112.19 -179.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.47 53.59 3.04 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.877 -0.677 . . . . 9.43 113.561 179.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 14.8 p90 -160.14 164.29 33.07 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 110.026 -0.361 . . . . 8.7 110.026 179.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -120.2 168.02 11.66 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.612 0.244 . . . . 11.16 110.893 179.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -62.54 -32.37 73.31 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.016 -0.538 . . . . 11.12 111.911 -179.078 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -72.13 -9.19 58.09 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.858 0.361 . . . . 11.8 111.898 -179.23 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -95.47 -10.03 30.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.367 -0.378 . . . . 10.53 111.385 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 5.5 p -60.27 -37.14 72.68 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 N-CA-C 112.181 0.437 . . . . 9.19 112.181 -178.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.21 -34.53 77.85 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.027 0.441 . . . . 10.94 110.876 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -82.02 -36.1 19.43 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.813 -0.708 . . . . 11.05 111.82 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 98.1 mt -65.76 -47.14 86.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 110.315 -0.254 . . . . 9.74 110.315 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 75.6 mt -60.54 -26.9 67.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.34 -0.391 . . . . 9.17 111.207 179.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -74.33 -41.2 38.51 Favored Glycine 0 N--CA 1.45 -0.429 0 N-CA-C 111.33 -0.708 . . . . 11.56 111.33 179.149 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 55.6 mttp -73.94 -45.72 48.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.098 0.475 . . . . 12.67 110.276 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 25.1 m -70.94 158.35 36.61 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.365 -0.834 . . . . 9.82 110.329 179.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -89.6 51.99 2.23 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.237 0.541 . . . . 10.24 111.524 -179.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -134.0 15.07 3.9 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.646 -0.707 . . . . 7.84 109.865 179.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 6.5 pttm -65.99 128.0 34.31 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.327 -0.851 . . . . 11.89 111.046 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 85.03 8.15 82.62 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.869 -0.681 . . . . 8.65 111.567 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -132.18 150.6 52.12 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.734 0.302 . . . . 7.81 110.255 -179.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 26.5 m80 -116.02 165.01 13.6 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.953 -0.758 . . . . 8.35 108.953 178.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 45.7 tp -55.16 -42.12 72.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.986 0.422 . . . . 4.32 111.857 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.82 -40.23 96.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 5.79 111.737 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -60.59 -52.41 65.26 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.001 0.429 . . . . 6.75 111.118 -179.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 19.7 mt -60.34 -44.56 96.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.613 -0.721 . . . . 4.76 111.459 -179.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 86.1 mt -71.13 -18.26 62.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.363 -0.38 . . . . 5.48 111.656 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -77.51 -45.68 24.75 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.429 -0.582 . . . . 8.15 109.429 178.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.25 -28.09 67.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.847 -0.615 . . . . 6.84 110.884 179.18 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -73.4 90.32 1.68 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.112 -0.495 . . . . 6.55 110.643 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 1.4 m -112.99 54.23 0.73 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.924 -0.58 . . . . 8.4 110.859 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 33.4 ttt180 -76.24 134.72 39.75 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.255 -0.646 . . . . 10.77 109.255 179.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 4.9 t -96.34 109.75 49.1 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 116.577 -0.283 . . . . 11.96 110.969 -179.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo . . . . . 0 C--O 1.236 0.411 0 C-N-CA 122.611 2.207 . . . . 13.1 111.423 179.624 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 17.8 t . . . . . 0 C--O 1.233 0.219 0 CA-C-O 121.014 0.435 . . . . 9.99 110.702 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 21' ' ' HIS . . . . . . . . . . . . . 40.6 t60 -80.51 105.53 11.83 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.791 -0.64 . . . . 9.56 110.118 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 22' ' ' LEU . . . . . . . . . . . . . 86.8 mt -114.88 146.98 40.53 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.955 0.407 . . . . 6.88 111.893 -179.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 23' ' ' THR . . . . . . . . . . . . . 3.2 m -107.98 116.11 31.36 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.367 -0.833 . . . . 8.91 109.303 178.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 24' ' ' LEU . . . . . . . . . . . . . 35.5 mt -99.97 115.95 30.89 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.688 0.28 . . . . 8.66 110.601 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 25' ' ' LYS . . . . . 0.424 ' HZ2' ' CG ' ' B' ' 45' ' ' ASP . 6.7 tttt -130.34 132.53 45.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.326 -0.397 . . . . 14.0 112.052 -179.707 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 24.9 ttpp -91.79 138.49 31.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 14.52 110.018 178.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 27' ' ' ILE . . . . . . . . . . . . . 12.1 pt -78.03 -42.35 27.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 113.078 0.77 . . . . 14.88 113.078 -179.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 19.3 mp0 -83.21 137.82 33.88 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.994 -0.283 . . . . 15.23 111.395 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.65 145.44 98.94 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.044 -0.526 . . . . 18.5 111.342 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 30' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -70.82 137.3 45.56 Favored 'Cis proline' 0 C--N 1.347 0.449 0 C-N-CA 123.254 -1.561 . . . . 17.48 111.563 0.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 24.3 mttm -91.02 148.66 22.24 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.157 -0.474 . . . . 17.92 110.184 -179.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 43.3 p90 -147.31 150.16 34.23 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.685 -0.487 . . . . 13.5 109.685 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 33' ' ' SER . . . . . . . . . . . . . 42.5 m -133.38 90.29 2.71 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 120.931 0.396 . . . . 12.59 110.123 179.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 42.4 pt -103.71 144.24 14.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.192 -0.458 . . . . 10.72 110.446 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 35' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -119.91 156.42 30.79 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.634 0.254 . . . . 10.54 110.99 -179.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 36' ' ' HIS . . . . . . . . . . . . . 26.1 t60 -165.8 145.63 6.45 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.086 -0.506 . . . . 10.1 110.169 178.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -96.46 114.62 26.3 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.282 -0.417 . . . . 9.77 110.219 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 38' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -107.07 -173.95 2.42 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.397 -0.365 . . . . 9.82 110.973 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -110.31 150.2 41.24 Favored Pre-proline 0 C--N 1.328 -0.352 0 N-CA-C 109.837 -0.431 . . . . 11.97 109.837 179.699 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -65.61 -17.44 56.94 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 122.38 2.053 . . . . 12.89 112.213 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.91 -8.49 59.68 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.959 -0.564 . . . . 14.73 110.853 179.647 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -84.34 157.1 21.59 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.939 -0.573 . . . . 11.77 109.976 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 32.8 p -111.8 173.92 6.12 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.222 -0.445 . . . . 11.41 110.108 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 46.3 mm -58.74 -27.08 33.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.176 0.512 . . . . 8.13 110.38 179.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.14 -37.16 79.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.865 -0.607 . . . . 12.88 110.635 179.239 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 46' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -65.08 -36.74 85.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.011 0.434 . . . . 12.59 110.534 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 61.1 mt -65.92 -43.53 92.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.94 -0.573 . . . . 8.04 109.536 179.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -61.98 -43.95 97.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.946 -0.57 . . . . 10.51 109.953 178.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -60.94 -41.46 96.32 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.874 -0.603 . . . . 14.34 109.841 178.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -60.43 -42.21 95.61 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.734 -0.666 . . . . 11.16 110.491 179.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 43.9 mt -62.31 -35.52 79.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 12.37 110.768 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 52' ' ' ILE . . . . . . . . . . . . . 81.5 mt -70.1 -42.62 79.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.176 -0.465 . . . . 15.35 110.566 179.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 1.6 p -67.19 -24.45 65.86 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.89 0.376 . . . . 15.02 111.228 179.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 54' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -87.74 8.8 23.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.304 -0.407 . . . . 14.38 110.393 179.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 59.14 39.87 22.51 Favored 'General case' 0 C--N 1.334 -0.085 0 CA-C-N 115.781 -0.645 . . . . 18.85 112.079 179.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 27.9 mmtm -108.1 -15.72 14.44 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.905 -0.589 . . . . 14.91 110.538 179.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -151.77 174.77 13.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.06 -0.518 . . . . 15.28 109.828 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 58' ' ' SER . . . . . . . . . . . . . 74.1 m -120.86 -55.01 2.01 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.303 0.483 . . . . 17.75 112.303 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 59' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -107.8 158.93 16.9 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.941 0.4 . . . . 19.98 111.604 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 31.8 mm -70.85 -40.41 76.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.78 -0.645 . . . . 14.55 111.667 -179.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 1.5 m -69.45 -18.07 63.69 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.671 0.619 . . . . 14.99 112.671 -178.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -75.35 -25.19 57.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.859 0.362 . . . . 16.71 110.856 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 63' ' ' ILE . . . . . . . . . . . . . 5.8 mt -96.32 118.29 42.35 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 CA-C-N 115.765 -0.652 . . . . 11.09 112.171 -178.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 64' ' ' LYS . . . . . . . . . . . . . 64.1 tttt -120.35 106.55 11.97 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.164 -1.05 . . . . 10.01 108.164 177.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 76.7 mt -85.51 147.03 26.64 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.38 -0.373 . . . . 5.92 111.761 -178.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 4.3 mp -136.46 144.58 44.46 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.043 -0.526 . . . . 7.57 110.252 179.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 66.8 tp -141.28 113.79 8.21 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.427 -0.351 . . . . 7.44 110.182 179.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 57.3 38.63 28.65 Favored 'General case' 0 N--CA 1.465 0.283 0 O-C-N 123.646 0.591 . . . . 13.3 111.247 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 87.81 -24.9 9.37 Favored Glycine 0 N--CA 1.449 -0.469 0 CA-C-N 115.84 -0.618 . . . . 8.93 113.027 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 70' ' ' LYS . . . . . 0.422 ' HZ2' ' CG ' ' A' ' 42' ' ' ASP . 0.1 OUTLIER -82.96 119.3 24.26 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.813 0.339 . . . . 9.68 111.149 -179.576 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' C' C ' 71' ' ' VAL . . . . . . . . . . . . . 44.2 t -67.75 130.04 32.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.042 -0.526 . . . . 7.05 109.947 178.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 46.9 mt -91.05 126.02 36.02 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.069 -0.514 . . . . 5.9 110.14 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 73' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -101.99 157.29 16.97 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.034 -0.53 . . . . 9.1 111.145 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.55 -31.75 64.48 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.009 -0.541 . . . . 9.91 112.269 -178.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 75' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -85.96 30.83 0.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.493 0.553 . . . . 13.96 112.493 -178.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 76' ' ' LEU . . . . . . . . . . . . . 20.6 tp -119.98 134.84 55.12 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.812 -0.44 . . . . 9.58 109.812 179.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -85.72 154.81 21.38 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.231 -0.44 . . . . 14.32 110.521 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 14.8 mt -65.32 -25.45 67.62 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.079 0.4 . . . . 9.58 112.079 -179.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 79' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.73 -17.54 63.46 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.996 0.427 . . . . 12.92 111.2 179.527 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 80' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -87.78 -12.18 45.87 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 116.13 -0.486 . . . . 12.44 110.83 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 63.9 mt -69.53 126.33 29.43 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.075 -0.511 . . . . 10.15 110.868 -179.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 82' ' ' LYS . . . . . . . . . . . . . 67.9 mmtt -81.97 66.43 7.54 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.111 -0.495 . . . . 12.59 109.871 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 7.6 m -101.78 124.95 55.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 121.454 0.645 . . . . 11.5 111.874 -179.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 84' ' ' THR . . . . . . . . . . . . . 71.2 p -119.48 173.29 3.64 Favored Pre-proline 0 C--N 1.319 -0.728 0 N-CA-C 108.478 -0.934 . . . . 13.96 108.478 179.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 85' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -58.32 -22.79 59.64 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 121.981 1.787 . . . . 14.91 110.751 178.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -85.49 -57.22 3.15 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 115.534 -0.757 . . . . 15.11 110.933 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 87' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -109.38 86.03 2.21 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.582 0.586 . . . . 12.37 112.582 -179.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 88' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -115.25 9.49 15.76 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.45 0.643 . . . . 10.56 110.275 178.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 89' ' ' THR . . . . . . . . . . . . . 3.6 m -93.29 132.72 37.23 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.594 -0.73 . . . . 9.87 111.264 -179.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 90' ' ' ILE . . . . . . . . . . . . . 39.5 mm -104.48 132.66 50.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 109.301 -0.629 . . . . 6.59 109.301 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 91' ' ' THR . . . . . . . . . . . . . 18.9 m -78.6 117.77 20.08 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.502 -0.317 . . . . 8.75 110.56 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 92' ' ' VAL . . . . . . . . . . . . . 52.7 t -101.19 104.69 16.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.241 -0.436 . . . . 9.58 110.674 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 93' ' ' MET . . . . . . . . . . . . . 4.8 tmm? -107.0 118.04 35.64 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.734 -0.839 . . . . 10.9 108.734 178.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 94' ' ' ILE . . . . . . . . . . . . . 76.8 mt -118.79 126.99 75.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.874 0.368 . . . . 13.44 111.34 -179.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 95' ' ' LYS . . . . . . . . . . . . . 21.6 mmtp . . . . . 0 C--N 1.324 -0.511 0 CA-C-N 115.916 -0.584 . . . . 14.95 109.705 179.208 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.8 m . . . . . 0 C--O 1.234 0.246 0 N-CA-C 111.962 0.356 . . . . 10.77 111.962 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 56.93 64.49 1.63 Allowed 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.304 0.573 . . . . 8.18 110.318 -179.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 m -64.55 169.98 4.39 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.321 -0.854 . . . . 10.11 112.575 -178.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 39.0 mmtm -53.77 -46.88 71.1 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.706 -0.679 . . . . 11.15 111.96 -179.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.4 pm0 -67.12 -35.34 79.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.354 -0.385 . . . . 11.43 111.917 -179.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -65.11 -43.11 93.07 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.138 0.494 . . . . 8.91 110.325 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 63.9 mt -69.31 -43.99 80.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.834 -0.621 . . . . 6.78 109.966 179.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.47 -35.57 78.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.895 -0.593 . . . . 7.12 111.133 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.0 -41.6 92.43 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.877 -0.601 . . . . 7.6 110.451 179.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 25.3 mt -70.94 -32.6 69.56 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.298 -0.41 . . . . 5.62 111.05 179.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 91.4 mt -64.5 -52.18 58.46 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-N 116.069 -0.514 . . . . 4.53 110.111 179.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.2 m -67.09 -33.91 66.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.973 0.416 . . . . 6.96 110.715 179.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -63.94 -38.98 93.06 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.937 -0.574 . . . . 7.61 109.521 178.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -62.34 -52.14 64.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.802 -0.636 . . . . 5.51 110.03 179.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -57.01 -42.92 81.2 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.092 -0.504 . . . . 6.35 110.728 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.4 m -62.6 -44.21 96.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.944 -0.571 . . . . 8.01 110.821 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 17.3 m -63.01 -34.95 78.65 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.338 -0.392 . . . . 8.27 111.239 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 84.2 mt -63.28 -46.42 95.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.498 -0.319 . . . . 8.37 110.66 179.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 5.3 m -72.09 -18.43 19.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 112.149 0.425 . . . . 9.63 112.149 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -71.43 -35.95 71.11 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.109 0.481 . . . . 10.98 110.476 179.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.8 pttt -105.55 6.91 32.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.953 -0.567 . . . . 11.09 111.119 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 52.4 45.88 27.7 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 115.795 -0.639 . . . . 12.07 111.45 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -80.21 9.32 5.82 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.994 -0.548 . . . . 9.58 111.706 -179.39 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 9.5 tp -147.87 157.67 8.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.217 -0.66 . . . . 9.5 109.217 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.56 151.16 45.32 Favored 'General case' 0 N--CA 1.451 -0.405 0 O-C-N 123.117 0.26 . . . . 10.1 110.434 179.73 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -52.93 -42.52 65.49 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.435 -0.348 . . . . 11.9 111.55 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.59 -39.01 86.52 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.157 -0.474 . . . . 10.3 111.192 179.648 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.12 -43.0 49.54 Favored Glycine 0 N--CA 1.447 -0.584 0 N-CA-C 110.932 -0.867 . . . . 8.75 110.932 179.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.6 -37.16 80.48 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.115 0.483 . . . . 8.42 109.996 179.044 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -59.66 -48.73 80.53 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.327 -0.851 . . . . 9.73 109.92 178.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 50.8 m -65.92 -37.45 86.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.88 -0.6 . . . . 8.02 111.281 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 63.6 mt -65.38 -36.68 84.72 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.811 0.339 . . . . 6.89 111.003 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 -68.69 -43.6 75.73 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.053 -0.521 . . . . 9.79 111.811 -179.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.6 m -65.69 -36.71 78.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 120.895 0.378 . . . . 9.6 111.062 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.59 -38.85 74.06 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.99 -0.55 . . . . 7.62 109.64 179.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 30.5 ttm -58.49 -43.03 88.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.506 -0.77 . . . . 8.19 110.403 179.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -61.54 -39.83 92.49 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.96 -0.564 . . . . 11.12 110.751 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 34.9 m -67.61 -32.55 73.35 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.122 -0.49 . . . . 9.77 111.425 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.87 -43.11 98.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 9.06 110.491 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.33 -45.01 88.92 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.858 -0.61 . . . . 10.96 111.053 179.682 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -65.89 -36.66 84.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.912 -0.585 . . . . 12.89 111.108 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.76 -49.86 69.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 11.68 112.222 -179.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -81.21 -12.86 59.05 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.274 0.472 . . . . 11.93 112.274 -179.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 77.11 49.83 7.25 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.696 -0.764 . . . . 13.13 113.175 179.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 24.4 p90 -146.6 152.11 38.39 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.663 -0.495 . . . . 12.01 109.663 179.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -74.92 135.28 41.45 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.875 0.369 . . . . 14.85 110.982 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 10.4 ttp180 -58.64 -42.42 88.26 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.875 -0.602 . . . . 12.02 110.926 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 29.0 mp0 -81.38 3.92 22.64 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.042 -0.527 . . . . 13.0 111.746 -179.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -102.26 8.51 40.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.173 0.511 . . . . 12.82 110.606 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.3 p -58.99 -39.8 79.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.497 -0.774 . . . . 10.88 111.606 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -64.77 -36.93 85.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.817 0.342 . . . . 12.18 110.997 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -64.0 -42.17 98.32 Favored Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 111.642 -0.583 . . . . 12.77 111.642 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 60.4 mt -70.11 -52.52 29.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 110.046 -0.353 . . . . 11.54 110.046 179.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 27.2 mt -57.0 -35.12 68.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 10.42 112.114 -179.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -58.66 -28.5 62.83 Favored Glycine 0 CA--C 1.519 0.331 0 C-N-CA 121.283 -0.484 . . . . 12.46 113.326 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -108.99 13.26 24.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.029 0.443 . . . . 14.49 110.812 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 46.6 m -103.57 166.43 10.43 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.096 -0.502 . . . . 10.83 110.71 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -74.31 -21.92 59.5 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.152 -0.476 . . . . 10.68 110.876 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -93.62 34.64 1.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.994 -0.548 . . . . 8.55 111.34 -179.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -79.12 135.37 36.82 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.345 -0.389 . . . . 13.32 111.258 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 75.0 17.5 80.26 Favored Glycine 0 N--CA 1.449 -0.472 0 CA-C-N 115.752 -0.658 . . . . 9.82 112.465 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -125.07 170.59 11.03 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 110.147 -0.316 . . . . 9.22 110.147 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 24.8 m80 -130.61 154.34 47.96 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.028 -0.73 . . . . 9.01 109.028 179.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 20.4 tp -59.46 -27.93 66.53 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.963 0.411 . . . . 4.77 111.11 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.09 -59.43 3.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.082 -0.508 . . . . 5.96 111.905 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.81 -40.86 94.31 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 112.898 0.703 . . . . 7.82 112.898 -179.114 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 86.8 mt -61.25 -48.26 89.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 120.745 0.307 . . . . 5.79 111.344 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.9 mp -71.07 -27.77 63.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.284 -0.416 . . . . 5.97 111.738 -179.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -73.56 -33.02 64.47 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.154 0.502 . . . . 9.81 110.462 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.8 m -82.12 -10.79 59.06 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.921 -0.582 . . . . 7.98 110.918 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -77.66 93.61 4.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.911 -0.586 . . . . 7.06 110.411 179.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.77 113.71 7.28 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.68 -0.691 . . . . 9.21 111.006 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -125.56 112.85 16.67 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.116 -0.493 . . . . 9.55 109.917 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 16.0 t -101.6 120.95 52.97 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 116.19 -0.459 . . . . 12.15 110.379 -179.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -70.09 87.59 0.59 Allowed 'Trans proline' 0 C--O 1.234 0.318 0 C-N-CA 122.554 2.169 . . . . 12.82 111.968 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -80.41 73.26 7.3 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.924 -0.58 . . . . 14.19 110.725 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.252 1.194 0 CA-C-O 118.58 -0.724 . . . . 15.67 110.124 179.906 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' MET . . . . . 0.403 ' H2 ' ' CD ' ' B' ' 73' ' ' GLU . 34.6 ttp . . . . . 0 N--CA 1.484 1.234 0 CA-C-O 120.309 0.1 . . . . 11.23 110.938 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 22.7 mmt -61.79 94.03 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.549 -0.296 . . . . 13.11 110.388 179.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 15.2 m 61.35 75.61 0.4 Allowed 'General case' 0 C--O 1.232 0.142 0 O-C-N 123.653 0.596 . . . . 11.68 109.861 -178.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -41.66 100.34 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.406 0 O-C-N 123.984 0.803 . . . . 8.3 112.643 -179.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 1.3 m -84.77 166.53 16.88 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.175 -0.92 . . . . 9.28 111.2 -179.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 1.1 mppt? -59.05 -42.17 89.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.075 -0.512 . . . . 8.73 111.376 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 7.4 pm0 -65.55 -36.64 84.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.478 -0.328 . . . . 9.58 111.595 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -61.88 -49.54 75.82 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 120.997 0.427 . . . . 8.61 110.114 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 67.8 mt -68.55 -40.98 82.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.509 -0.769 . . . . 5.19 111.0 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.95 -41.96 88.69 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.266 -0.424 . . . . 4.42 111.126 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.4 -40.21 93.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.05 -0.523 . . . . 5.79 110.557 179.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 87.5 mt -70.04 -34.16 72.88 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.198 -0.455 . . . . 4.52 110.696 179.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 96.0 mt -64.63 -52.42 54.97 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 CA-C-N 116.031 -0.531 . . . . 4.37 110.58 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 16.9 m -66.35 -32.95 60.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.447 -0.342 . . . . 6.25 110.893 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -64.94 -40.97 95.85 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.413 -0.588 . . . . 7.24 109.413 178.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -61.44 -49.97 74.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.574 -0.739 . . . . 7.41 110.306 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -62.79 -40.5 97.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 8.36 110.919 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 50.4 m -62.98 -36.1 82.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.401 -0.363 . . . . 9.5 110.681 179.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 44.7 m -69.84 -25.66 63.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 9.77 110.754 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 95.5 mt -78.99 -44.59 24.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.304 -0.407 . . . . 11.09 110.771 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 34.1 m -74.45 -31.31 27.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 113.229 0.826 . . . . 12.38 113.229 -178.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -58.78 -39.73 81.92 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.448 0.536 . . . . 13.19 112.448 -179.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 14.2 pttm -111.1 19.16 18.69 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.9 0.381 . . . . 13.7 111.34 -179.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 78.0 tttt 43.7 70.35 0.32 Allowed 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 113.929 1.085 . . . . 16.11 113.929 179.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -86.42 -10.11 54.94 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.298 0.57 . . . . 12.56 109.938 178.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 20.1 tt -137.27 152.32 27.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.481 -0.781 . . . . 13.67 109.978 -179.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.41 163.8 20.06 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.649 -0.25 . . . . 15.14 111.309 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 49.7 mp0 -57.74 -29.66 64.95 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 116.501 -0.318 . . . . 16.66 111.779 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.36 -27.87 62.67 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.417 -0.356 . . . . 15.52 111.013 179.598 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -108.45 -39.53 1.76 Allowed Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.971 -0.633 . . . . 13.62 111.781 178.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.82 -50.93 71.46 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.427 0.529 . . . . 12.71 112.427 -179.301 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . 0.453 ' CG ' ' HZ2' ' C' ' 25' ' ' LYS . 1.1 t70 -60.78 -30.97 70.36 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.445 0.641 . . . . 13.38 111.264 -179.464 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 1.5 m -73.82 -21.83 60.0 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.774 -0.648 . . . . 11.95 110.85 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 95.3 mt -80.47 -27.7 37.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.097 -0.502 . . . . 10.13 110.893 179.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -57.86 -43.95 86.26 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.161 -0.472 . . . . 11.27 111.004 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 13.6 p -79.43 -30.28 13.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.998 0.428 . . . . 10.04 110.717 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.19 -47.74 78.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.164 -0.471 . . . . 8.58 110.883 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 68.1 mtm -61.56 -36.17 79.86 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.14 -0.482 . . . . 7.93 110.774 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -60.54 -48.59 81.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.853 -0.612 . . . . 9.48 109.894 179.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 36.7 m -62.38 -39.82 94.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.58 -0.736 . . . . 8.46 110.97 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 97.8 mt -63.43 -39.49 85.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.3 -0.409 . . . . 6.23 110.458 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 19.4 m -59.23 -48.14 82.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.847 -0.615 . . . . 7.39 111.194 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -73.56 -25.89 60.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.281 -0.418 . . . . 8.81 111.462 -179.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.1 -43.51 87.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.267 -0.424 . . . . 7.38 111.935 -179.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -91.66 -11.82 35.93 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.966 0.412 . . . . 8.09 111.415 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.09 51.39 5.05 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.776 -0.726 . . . . 9.43 112.808 179.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 36.9 p90 -139.54 147.33 41.06 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.83 0.348 . . . . 8.7 110.775 179.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -73.25 136.46 44.62 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.986 -0.552 . . . . 11.16 110.846 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 18.5 ttp180 -66.73 -27.77 67.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.204 0.526 . . . . 11.12 110.098 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -89.73 6.94 39.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.795 -0.639 . . . . 11.8 110.838 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -111.73 17.23 20.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.415 -0.357 . . . . 10.53 111.093 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 3.2 p -58.94 -46.45 91.44 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-N 116.247 -0.433 . . . . 9.19 111.844 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 1.2 m -69.25 -24.34 63.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.058 0.456 . . . . 10.94 110.603 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -69.0 -41.16 82.99 Favored Glycine 0 N--CA 1.446 -0.64 0 N-CA-C 111.332 -0.707 . . . . 11.05 111.332 179.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 56.1 mt -69.95 -45.17 77.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 109.766 -0.457 . . . . 9.74 109.766 179.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 96.9 mt -62.91 -31.18 72.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.948 -0.569 . . . . 9.17 110.627 179.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -77.66 -21.04 72.96 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.83 -0.7 . . . . 11.56 111.652 179.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 17.0 tttp -85.33 -59.88 2.19 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.792 0.33 . . . . 12.67 110.218 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 1.2 m -71.0 166.85 20.46 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.074 -0.512 . . . . 9.82 110.549 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.403 ' CD ' ' H2 ' ' B' ' 14' ' ' MET . 1.0 OUTLIER -80.65 44.61 0.73 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.019 0.438 . . . . 10.24 111.253 179.887 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -121.09 14.61 11.45 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.078 0.466 . . . . 7.84 110.889 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.64 130.35 42.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.984 -0.553 . . . . 11.89 110.669 179.788 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 76.0 20.63 77.48 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.927 -0.654 . . . . 8.65 112.494 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 -132.19 130.7 41.38 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.765 0.317 . . . . 7.81 110.851 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 30.5 m80 -104.91 159.12 16.05 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.031 -0.729 . . . . 8.35 109.031 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 35.1 tp -55.62 -40.81 72.62 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.477 -0.329 . . . . 4.32 111.827 -179.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.5 -45.17 94.24 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.343 -0.39 . . . . 5.79 111.503 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -59.9 -56.18 24.88 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 116.163 -0.471 . . . . 6.75 110.596 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 80.2 mt -56.08 -50.82 67.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.174 -0.921 . . . . 4.76 112.3 -179.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 10.9 tp -59.15 -41.35 88.12 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.779 0.659 . . . . 5.48 112.779 -178.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -72.48 -30.72 64.79 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 111.857 0.317 . . . . 8.15 111.857 -179.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 27.1 p -80.83 -39.34 26.74 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.866 0.321 . . . . 6.84 111.866 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -98.35 68.72 1.91 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.158 0.504 . . . . 6.55 111.457 -179.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 1.4 m -108.6 144.22 36.6 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.158 -0.474 . . . . 8.4 110.259 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 53.1 mtp180 -106.31 157.34 17.67 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.571 0.225 . . . . 10.77 110.773 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 42.7 t -91.42 120.12 68.41 Favored Pre-proline 0 C--N 1.325 -0.497 0 N-CA-C 109.563 -0.532 . . . . 11.96 109.563 179.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo . . . . . 0 C--O 1.234 0.285 0 C-N-CA 122.948 2.432 . . . . 13.1 112.437 -179.659 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 56.9 t . . . . . 0 C--O 1.231 0.113 0 N-CA-C 109.814 -0.439 . . . . 9.99 109.814 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 21' ' ' HIS . . . . . . . . . . . . . 67.6 t60 -89.54 114.83 26.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.331 -0.395 . . . . 9.56 110.956 -179.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 22' ' ' LEU . . . . . . . . . . . . . 95.9 mt -118.56 153.94 33.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.317 -0.401 . . . . 6.88 111.514 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 23' ' ' THR . . . . . . . . . . . . . 23.1 m -115.71 123.07 47.37 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.262 -0.644 . . . . 8.91 109.262 179.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 24' ' ' LEU . . . . . . . . . . . . . 25.1 mt -101.87 121.89 42.97 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.826 0.346 . . . . 8.66 111.55 -179.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 25' ' ' LYS . . . . . 0.453 ' HZ2' ' CG ' ' B' ' 45' ' ' ASP . 19.5 tptm -127.98 117.61 22.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.047 -0.524 . . . . 14.0 110.529 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 25.5 ttpp -90.91 140.69 29.58 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.425 -0.352 . . . . 14.52 111.522 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 27' ' ' ILE . . . . . . . . . . . . . 62.9 mt -86.24 -47.61 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.024 -0.534 . . . . 14.88 111.152 179.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 23.6 mp0 -65.15 133.89 52.56 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.792 0.329 . . . . 15.23 110.897 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.29 142.39 94.67 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 116.002 -0.544 . . . . 18.5 111.019 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 30' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -76.46 135.86 41.81 Favored 'Cis proline' 0 C--O 1.234 0.324 0 C-N-CA 123.454 -1.478 . . . . 17.48 111.51 -0.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -76.17 127.6 33.25 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.145 -0.479 . . . . 17.92 110.712 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -122.34 154.68 37.33 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.173 -0.467 . . . . 13.5 110.168 179.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 33' ' ' SER . . . . . . . . . . . . . 2.2 m -140.87 103.57 4.52 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.125 -0.489 . . . . 12.59 109.978 179.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 46.9 pt -123.26 153.59 28.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.407 -0.36 . . . . 10.72 110.84 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 35' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -121.02 138.14 54.31 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.243 -0.435 . . . . 10.54 110.355 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 36' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -153.4 151.18 29.62 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.879 0.371 . . . . 10.1 111.062 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -98.03 134.06 41.65 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.597 -0.729 . . . . 9.77 110.353 179.733 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 38' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -127.31 -179.02 4.67 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.001 -0.74 . . . . 9.82 109.001 179.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 2.5 m -108.38 150.73 40.96 Favored Pre-proline 0 C--N 1.325 -0.494 0 C-N-CA 121.178 -0.209 . . . . 11.97 110.512 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_exo -66.53 -17.81 53.6 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.718 2.279 . . . . 12.89 110.907 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.38 -15.66 54.57 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.393 -0.821 . . . . 14.73 111.083 179.69 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -80.99 163.76 23.03 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.311 -0.404 . . . . 11.77 110.611 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 77.2 p -111.33 173.85 6.15 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.268 -0.423 . . . . 11.41 110.555 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 42.6 mm -63.27 -27.67 43.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.257 0.551 . . . . 8.13 109.865 178.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 53.8 tp -59.8 -38.97 83.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.504 -0.771 . . . . 12.88 110.72 179.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 46' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -61.61 -38.41 87.51 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.213 -0.448 . . . . 12.59 111.459 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 53.8 mt -63.92 -43.12 97.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 109.694 -0.484 . . . . 8.04 109.694 179.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 48' ' ' LYS . . . . . 0.4 ' HZ1' ' CG ' ' C' ' 74' ' ' ASP . 94.0 mttt -63.39 -44.25 95.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.587 -0.733 . . . . 10.51 110.082 179.192 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -62.25 -35.35 78.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.798 -0.637 . . . . 14.34 110.666 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -72.69 -29.35 63.33 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.826 -0.624 . . . . 11.16 111.435 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 65.7 mt -65.07 -34.36 78.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.934 0.397 . . . . 12.37 110.996 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 52' ' ' ILE . . . . . . . . . . . . . 40.8 mt -69.52 -38.23 76.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.012 -0.54 . . . . 15.35 110.529 179.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 1.4 p -70.66 -19.45 62.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.834 0.35 . . . . 15.02 111.341 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 54' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -93.81 7.44 44.88 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.464 -0.334 . . . . 14.38 110.374 179.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 61.39 38.06 16.41 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.693 -0.685 . . . . 18.85 111.859 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -118.08 7.32 12.18 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.92 -0.582 . . . . 14.91 111.148 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -162.47 171.49 16.99 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.161 -0.472 . . . . 15.28 110.483 -179.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 58' ' ' SER . . . . . . . . . . . . . 1.1 t -122.52 -63.99 1.23 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.512 -0.313 . . . . 17.75 110.807 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 59' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 -113.02 149.69 32.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.852 0.358 . . . . 19.98 111.048 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 39.4 mm -63.79 -33.8 64.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.945 -0.57 . . . . 14.55 111.661 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.55 -13.08 62.14 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.575 0.584 . . . . 14.99 112.575 -178.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -94.92 -11.06 29.33 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.98 0.419 . . . . 16.71 111.316 -178.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 63' ' ' ILE . . . . . . . . . . . . . 19.7 mt -94.17 105.12 16.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 112.666 0.617 . . . . 11.09 112.666 -178.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 64' ' ' LYS . . . . . . . . . . . . . 31.9 mtmt -102.45 108.44 19.75 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.932 -0.766 . . . . 10.01 108.932 178.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 61.6 mt -97.68 135.62 39.22 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.628 0.251 . . . . 5.92 110.717 -179.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 5.6 mt -132.4 152.8 51.33 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.217 -0.447 . . . . 7.57 110.678 -179.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 55.0 tp -139.23 106.17 5.43 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.705 -0.48 . . . . 7.44 109.705 178.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 58.0 32.31 21.8 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.236 0.541 . . . . 13.3 110.997 -179.52 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 95.8 -8.85 68.4 Favored Glycine 0 N--CA 1.446 -0.68 0 CA-C-N 115.725 -0.671 . . . . 8.93 112.966 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 70' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.62 126.23 34.83 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.63 0.215 . . . . 9.68 111.389 -179.605 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 71' ' ' VAL . . . . . . . . . . . . . 70.5 t -72.33 112.44 8.03 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 N-CA-C 109.238 -0.653 . . . . 7.05 109.238 178.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 81.4 mt -72.52 108.61 5.67 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.979 -0.555 . . . . 5.9 111.078 -179.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 73' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -68.5 141.97 55.42 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.194 -0.912 . . . . 9.1 110.462 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 74' ' ' ASP . . . . . 0.4 ' CG ' ' HZ1' ' C' ' 48' ' ' LYS . 2.0 m-20 -56.68 -38.28 72.04 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 112.516 0.562 . . . . 9.91 112.516 -178.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 75' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -91.09 13.15 17.69 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.955 0.354 . . . . 13.96 111.955 -179.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 76' ' ' LEU . . . . . . . . . . . . . 40.9 tp -83.05 133.77 35.06 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.725 -0.472 . . . . 9.58 109.725 179.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -84.15 148.37 26.8 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.093 -0.503 . . . . 14.32 110.874 -179.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 26.5 mt -68.84 -14.81 63.26 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.992 -0.549 . . . . 9.58 111.623 -179.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.08 -7.32 55.51 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.306 -0.406 . . . . 12.92 111.482 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 80' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -109.15 -0.3 19.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.022 0.439 . . . . 12.44 110.897 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 37.1 mt -66.17 126.61 29.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.472 . . . . 10.15 111.28 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 82' ' ' LYS . . . . . . . . . . . . . 41.3 mmtm -82.47 65.19 7.48 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.015 -0.538 . . . . 12.59 109.93 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 14.5 m -104.93 144.63 14.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.169 -0.469 . . . . 11.5 111.215 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 84' ' ' THR . . . . . . . . . . . . . 32.6 p -132.48 167.46 22.46 Favored Pre-proline 0 C--N 1.32 -0.678 0 N-CA-C 108.662 -0.866 . . . . 13.96 108.662 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 85' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -58.49 -23.73 65.76 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.594 2.196 . . . . 14.91 111.704 179.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -81.45 -40.02 23.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.242 -0.435 . . . . 15.11 111.3 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 87' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -131.38 101.74 5.67 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.631 0.604 . . . . 12.37 112.631 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 88' ' ' SER . . . . . . . . . . . . . 18.9 m -123.02 17.18 10.05 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.988 -0.745 . . . . 10.56 108.988 178.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 89' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.95 125.83 34.73 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.147 -0.933 . . . . 9.87 111.448 -179.259 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 90' ' ' ILE . . . . . . . . . . . . . 46.9 mm -98.4 129.43 48.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 109.117 -0.697 . . . . 6.59 109.117 179.118 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 91' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -80.52 112.09 17.55 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.098 -0.501 . . . . 8.75 110.399 -179.7 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 92' ' ' VAL . . . . . . . . . . . . . 31.6 t -102.51 114.89 43.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 116.107 -0.497 . . . . 9.58 111.015 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 93' ' ' MET . . . . . . . . . . . . . 2.6 mtm -120.16 120.84 37.34 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.613 -0.514 . . . . 10.9 109.613 178.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 94' ' ' ILE . . . . . . . . . . . . . 80.7 mt -119.57 119.06 59.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.151 0.501 . . . . 13.44 111.929 -178.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 95' ' ' LYS . . . . . . . . . . . . . 70.8 mttt . . . . . 0 C--N 1.324 -0.501 0 CA-C-N 115.344 -0.844 . . . . 14.95 109.324 179.361 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.5 m . . . . . 0 C--O 1.233 0.22 0 CA-C-O 120.803 0.335 . . . . 10.77 110.686 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 63.4 44.51 5.39 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 109.035 -0.728 . . . . 8.18 109.035 -178.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.67 176.91 4.44 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 114.624 -1.171 . . . . 10.11 110.503 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.0 mtmt -53.11 -40.8 64.43 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.199 0.444 . . . . 11.15 112.199 -179.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.9 pm0 -71.17 -36.56 72.05 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.164 0.431 . . . . 11.43 112.164 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -64.94 -35.21 80.43 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.164 0.507 . . . . 8.91 110.862 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 49.4 mt -85.55 -44.39 17.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.885 -0.598 . . . . 6.78 112.163 -179.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.37 -43.21 64.55 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 112.368 0.507 . . . . 7.12 112.368 -178.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.83 -41.98 88.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.138 -0.483 . . . . 7.6 111.406 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 86.7 mt -73.86 -34.1 64.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.335 -0.393 . . . . 5.62 111.736 -179.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 84.1 mt -61.44 -53.66 45.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.954 0.407 . . . . 4.53 111.011 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 30.1 m -67.17 -34.19 67.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.384 -0.371 . . . . 6.96 111.362 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -66.71 -35.3 79.79 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.036 0.446 . . . . 7.61 109.93 179.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -60.48 -51.37 69.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.862 -0.608 . . . . 5.51 110.039 179.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -62.52 -38.8 91.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.046 -0.524 . . . . 6.35 110.458 179.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.1 m -62.06 -41.72 98.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.043 -0.526 . . . . 8.01 110.579 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 18.2 m -62.63 -36.48 82.93 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.083 -0.508 . . . . 8.27 110.842 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 69.6 mt -69.85 -47.55 69.1 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 CA-C-N 115.987 -0.551 . . . . 8.37 111.402 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 34.6 m -69.74 -31.73 49.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 113.166 0.802 . . . . 9.63 113.166 -179.022 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -61.5 -40.65 95.36 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.867 0.321 . . . . 10.98 111.867 -179.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 32.7 pttt -96.85 6.13 49.25 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.595 -0.275 . . . . 11.09 111.303 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 39.5 tttm 54.2 47.38 23.27 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 115.905 -0.588 . . . . 12.07 111.125 -179.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -82.79 -4.76 58.4 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.492 0.663 . . . . 9.58 109.73 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 17.8 tt -121.96 156.38 26.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.252 -0.885 . . . . 9.5 109.085 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.2 m -76.33 156.14 33.58 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 110.418 -0.216 . . . . 10.1 110.418 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -54.29 -32.49 56.52 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 116.65 -0.25 . . . . 11.9 111.645 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -63.43 -43.55 97.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.377 -0.374 . . . . 10.3 110.772 179.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.04 -39.74 53.07 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.97 -0.633 . . . . 8.75 111.58 179.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.96 -33.83 76.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.16 0.505 . . . . 8.42 110.105 179.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -58.77 -49.0 79.28 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.346 -0.843 . . . . 9.73 110.083 179.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.5 m -69.51 -27.77 65.47 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.838 -0.619 . . . . 8.02 111.162 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 45.5 mt -67.84 -28.99 68.03 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.23 0.456 . . . . 6.89 112.23 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -58.88 -40.26 83.85 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.982 0.42 . . . . 9.79 110.918 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.7 p -87.82 -31.83 5.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.302 -0.408 . . . . 9.6 110.852 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.04 -48.83 78.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 7.62 110.755 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 43.1 ttm -63.46 -37.05 85.8 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.133 0.492 . . . . 8.19 110.242 179.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -64.67 -43.5 93.37 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.557 -0.747 . . . . 11.12 110.42 179.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 12.7 m -68.61 -33.07 73.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.035 -0.53 . . . . 9.77 111.872 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 96.6 mt -67.13 -39.31 82.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 108.484 -0.932 . . . . 9.06 108.484 178.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.3 m -66.05 -44.0 85.89 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.295 -0.866 . . . . 10.96 111.347 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -67.65 -35.37 78.77 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-O 120.798 0.332 . . . . 12.89 111.595 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.57 -48.23 67.5 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.243 -0.435 . . . . 11.68 111.86 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -81.07 -6.57 58.96 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.8 0.333 . . . . 11.93 111.796 -179.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.13 52.95 24.8 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 121.238 -0.506 . . . . 13.13 113.289 179.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 15.2 p90 -148.04 156.45 42.65 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 110.244 -0.28 . . . . 12.01 110.244 179.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 46.3 mp0 -96.64 147.11 24.22 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.751 0.31 . . . . 14.85 110.665 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 11.4 ttp180 -63.04 -31.39 72.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.297 0.57 . . . . 12.02 110.062 179.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -75.06 7.38 3.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.435 -0.802 . . . . 13.0 111.472 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -118.2 0.46 11.75 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.578 0.214 . . . . 12.82 111.578 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 14.3 p -60.39 -34.47 57.88 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 CA-C-O 120.968 0.413 . . . . 10.88 111.175 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -36.87 85.09 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.706 -0.679 . . . . 12.18 110.602 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -73.38 -42.87 40.18 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.942 -0.647 . . . . 12.77 111.923 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 34.2 mt -60.28 -41.46 87.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.765 0.317 . . . . 11.54 110.797 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 95.0 mt -68.31 -30.97 70.07 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.886 0.374 . . . . 10.42 110.587 179.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -74.83 -32.02 57.51 Favored Glycine 0 N--CA 1.448 -0.554 0 CA-C-N 115.96 -0.564 . . . . 12.46 112.936 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -84.74 -29.27 25.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.89 0.376 . . . . 14.49 111.593 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.9 m -86.87 165.05 16.24 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.269 -0.423 . . . . 10.83 110.314 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -88.46 44.22 1.19 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.297 0.57 . . . . 10.68 110.648 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -132.26 19.81 4.42 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.645 -0.707 . . . . 8.55 110.331 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.9 ptmt -66.67 120.3 13.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.641 -0.709 . . . . 13.32 110.736 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 85.79 12.72 71.2 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.555 -0.831 . . . . 9.82 111.859 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -115.06 143.23 45.52 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.815 0.341 . . . . 9.22 110.811 179.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 22.8 m80 -116.39 151.1 36.65 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.248 -0.433 . . . . 9.01 109.946 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 16.3 tp -55.23 -38.7 68.8 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 123.21 0.319 . . . . 4.77 111.43 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.8 -43.42 93.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.24 -0.437 . . . . 5.96 110.909 179.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -63.1 -43.8 97.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.001 -0.545 . . . . 7.82 111.096 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 71.4 mt -62.51 -48.69 87.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.694 -0.685 . . . . 5.79 110.762 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.6 mp -67.41 -28.22 67.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.85 0.357 . . . . 5.97 111.611 -179.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 60.1 t30 -71.93 -45.47 61.03 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.933 0.397 . . . . 9.81 110.082 179.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.5 m -69.61 -35.8 75.6 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.94 -0.573 . . . . 7.98 110.487 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.65 119.2 9.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.958 -0.564 . . . . 7.06 109.947 179.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.9 m -108.86 114.99 29.23 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.188 -0.46 . . . . 9.21 110.702 -179.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -116.08 110.21 18.57 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.226 -0.443 . . . . 9.55 110.431 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 41.9 t -98.06 111.07 58.43 Favored Pre-proline 0 C--N 1.324 -0.539 0 N-CA-C 109.796 -0.446 . . . . 12.15 109.796 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -72.94 76.68 2.47 Favored 'Trans proline' 0 N--CA 1.462 -0.336 0 C-N-CA 122.738 2.292 . . . . 12.82 112.537 -179.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -77.31 72.56 3.86 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.093 0.473 . . . . 14.19 110.251 179.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.474 -0.774 . . . . 15.67 110.334 -179.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 48.4 ttp . . . . . 0 N--CA 1.485 1.308 0 N-CA-C 111.882 0.327 . . . . 11.23 111.882 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 55.4 ttm -90.42 70.85 7.0 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.512 0.56 . . . . 13.11 112.512 -178.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 7.9 m 50.92 89.94 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 112.866 0.691 . . . . 11.68 112.866 179.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.98 115.78 7.87 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.881 0.372 . . . . 8.3 110.949 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -77.72 164.05 25.61 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.035 -0.53 . . . . 9.28 110.644 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 5.6 mmpp? -57.13 -47.73 80.42 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.798 0.332 . . . . 8.73 111.141 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -60.85 -37.2 81.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.892 -0.595 . . . . 9.58 111.804 -179.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -71.33 -42.04 69.08 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.169 -0.469 . . . . 8.61 111.159 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 66.4 mt -68.44 -40.65 82.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.297 -0.411 . . . . 5.19 110.126 179.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.15 -34.37 74.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.943 -0.571 . . . . 4.42 110.621 179.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.65 -38.92 89.51 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.937 -0.574 . . . . 5.79 110.345 179.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 72.0 mt -73.45 -32.3 64.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.355 -0.384 . . . . 4.52 110.354 179.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 99.6 mt -65.03 -50.34 75.16 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 CA-C-N 115.895 -0.593 . . . . 4.37 109.694 178.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 29.0 m -68.83 -30.03 45.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.367 -0.378 . . . . 6.25 110.29 179.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -63.12 -41.3 99.3 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 109.187 -0.671 . . . . 7.24 109.187 178.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 30.2 t80 -63.18 -44.99 93.86 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.385 -0.825 . . . . 7.41 109.773 178.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -62.37 -37.96 87.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.067 0.461 . . . . 8.36 110.247 178.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 23.2 m -65.85 -39.4 90.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.006 -0.543 . . . . 9.5 109.663 178.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 16.8 m -70.62 -7.68 46.06 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.766 -0.652 . . . . 9.77 110.471 179.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 52.6 mt -91.19 -50.02 13.0 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 CA-C-N 115.653 -0.703 . . . . 11.09 110.072 179.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 31.5 m -74.4 -23.11 18.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 113.014 0.746 . . . . 12.38 113.014 -178.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -72.76 -24.92 61.02 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.608 0.596 . . . . 13.19 112.608 -179.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 10.4 pttm -129.27 23.45 5.57 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.317 0.488 . . . . 13.7 112.317 -179.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 16.8 ttmm 48.92 56.87 7.08 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.408 0.623 . . . . 16.11 112.091 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 19.8 tp10 -74.6 -26.34 59.85 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.551 -0.749 . . . . 12.56 109.067 179.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 6.4 tp -126.08 163.08 28.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.036 -0.984 . . . . 13.67 108.835 179.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.8 164.5 23.48 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.657 0.265 . . . . 15.14 111.239 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.18 -34.39 72.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.78 0.324 . . . . 16.66 111.167 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.43 -43.78 98.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 15.52 110.945 178.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.36 -35.04 81.37 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.924 -0.655 . . . . 13.62 111.588 179.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.27 -30.34 70.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.944 0.402 . . . . 12.71 110.641 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -62.65 -49.33 75.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.904 -0.589 . . . . 13.38 109.887 179.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 1.4 m -70.06 -38.26 75.74 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.033 -0.531 . . . . 11.95 111.298 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 41.0 mt -61.36 -25.74 67.36 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.698 0.629 . . . . 10.13 112.698 -179.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -58.0 -59.36 5.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.577 -0.283 . . . . 11.27 111.428 -179.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 8.6 p -71.49 -30.19 38.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.632 -0.258 . . . . 10.04 111.072 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.81 -44.36 96.98 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.934 0.397 . . . . 8.58 110.563 179.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 46.2 ttm -63.06 -35.83 81.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.98 -0.555 . . . . 7.93 110.073 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -64.88 -48.39 74.41 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.851 -0.613 . . . . 9.48 109.983 179.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 77.9 m -57.63 -44.39 85.52 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.515 -0.766 . . . . 8.46 111.156 179.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 98.1 mt -62.51 -42.26 95.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.261 -0.427 . . . . 6.23 110.754 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 19.9 m -60.59 -51.26 70.16 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.009 -0.541 . . . . 7.39 111.794 -179.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -68.61 -28.83 67.26 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.343 0.498 . . . . 8.81 112.343 -179.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.2 -41.71 99.2 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.497 -0.319 . . . . 7.38 111.368 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -90.26 -6.63 54.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.235 0.541 . . . . 8.09 110.817 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 73.77 42.22 39.59 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.794 -0.639 . . . . 9.43 113.379 179.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 16.4 p90 -135.74 153.8 51.45 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.776 0.288 . . . . 8.7 110.391 179.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -88.27 135.72 33.31 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.983 0.421 . . . . 11.16 111.019 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 21.3 ttp180 -59.35 -37.78 78.72 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.813 -0.63 . . . . 11.12 111.116 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.82 0.64 12.58 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 112.234 0.457 . . . . 11.8 112.234 -179.443 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -112.56 17.56 19.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.853 0.358 . . . . 10.53 111.058 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 5.4 p -57.19 -44.86 84.29 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 N-CA-C 112.517 0.562 . . . . 9.19 112.517 -179.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 1.2 m -68.1 -25.19 65.19 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.596 0.221 . . . . 10.94 111.596 -179.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -65.24 -36.06 92.36 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.645 -0.788 . . . . 11.05 111.424 179.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 48.1 mt -74.89 -47.36 37.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 109.901 -0.407 . . . . 9.74 109.901 179.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 71.4 mt -61.45 -38.79 88.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.75 -0.659 . . . . 9.17 111.394 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -70.14 -25.85 75.06 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 121.009 -0.615 . . . . 11.56 112.729 -179.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 13.5 ttmt -84.37 -45.22 12.98 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.225 0.536 . . . . 12.67 110.084 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 18.5 m -77.33 -177.13 4.47 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.708 -0.678 . . . . 9.82 111.96 -179.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -82.36 -21.47 35.91 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.611 -0.722 . . . . 10.24 110.818 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -79.3 74.22 5.9 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.769 -0.65 . . . . 7.84 111.448 -179.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -124.81 133.9 52.95 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.269 -0.423 . . . . 11.89 110.287 179.265 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 72.32 21.29 79.41 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.693 -0.765 . . . . 8.65 111.633 -179.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 21.8 mm-40 -136.28 120.13 17.43 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.046 -0.724 . . . . 7.81 109.046 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 45.0 m80 -84.51 161.43 20.25 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.171 -0.677 . . . . 8.35 109.171 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 23.1 tp -59.94 -34.06 72.74 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.35 0.595 . . . . 4.32 110.211 179.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.67 -29.95 68.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.455 -0.793 . . . . 5.79 111.023 179.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -75.12 -49.23 20.26 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 116.13 -0.486 . . . . 6.75 110.352 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 82.0 mt -60.3 -45.28 96.58 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 CA-C-N 115.846 -0.615 . . . . 4.76 110.895 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 6.9 mp -67.8 -20.28 65.18 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.078 -0.51 . . . . 5.48 111.644 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -78.74 -43.0 26.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.916 0.388 . . . . 8.15 110.253 179.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.02 -31.71 70.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.79 -0.641 . . . . 6.84 110.842 179.555 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.12 97.13 0.17 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.02 -0.537 . . . . 6.55 110.372 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 2.0 m -107.41 102.15 11.45 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.959 -0.564 . . . . 8.4 110.579 -179.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 28.2 mmm-85 -119.63 127.14 52.65 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.76 -0.655 . . . . 10.77 109.945 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 61.2 t -101.82 118.48 59.41 Favored Pre-proline 0 C--N 1.319 -0.732 0 CA-C-N 116.221 -0.445 . . . . 11.96 109.809 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_exo . . . . . 0 C--O 1.236 0.394 0 C-N-CA 122.582 2.188 . . . . 13.1 111.21 179.311 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 21.4 t . . . . . 0 N--CA 1.455 -0.202 0 CA-C-O 121.077 0.465 . . . . 9.99 109.973 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 21' ' ' HIS . . . . . . . . . . . . . 17.7 t60 -82.41 109.2 16.44 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.745 -0.662 . . . . 9.56 110.813 -179.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 22' ' ' LEU . . . . . . . . . . . . . 63.5 mt -107.64 144.62 34.43 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.415 -0.357 . . . . 6.88 111.105 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 23' ' ' THR . . . . . . . . . . . . . 2.5 m -108.54 117.87 35.31 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.89 -0.595 . . . . 8.91 109.815 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 24' ' ' LEU . . . . . . . . . . . . . 60.7 mt -101.68 118.21 36.47 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.592 0.234 . . . . 8.66 110.7 -179.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 17.9 tptm -130.65 124.21 31.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.92 0.391 . . . . 14.0 111.565 -179.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 16.7 tttp -101.21 116.7 33.42 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.957 -0.757 . . . . 14.52 108.957 178.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 27' ' ' ILE . . . . . . . . . . . . . 44.3 pt -82.08 -8.36 11.29 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 N-CA-C 113.106 0.78 . . . . 14.88 113.106 -178.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -107.9 153.0 23.67 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.349 -0.611 . . . . 15.23 109.349 179.139 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.88 132.92 92.05 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-O 120.865 0.364 . . . . 18.5 111.934 -179.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 30' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -83.84 131.39 17.11 Favored 'Cis proline' 0 CA--C 1.531 0.345 0 C-N-CA 123.084 -1.632 . . . . 17.48 111.406 -1.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 51.8 mttt -75.69 110.38 10.06 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.056 0.455 . . . . 17.92 111.082 -179.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 40.1 p90 -124.47 163.37 21.98 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.04 -0.527 . . . . 13.5 110.673 179.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 33' ' ' SER . . . . . . . . . . . . . 15.6 m -148.1 119.4 7.83 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.395 -0.366 . . . . 12.59 110.38 179.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 9.4 pt -137.45 158.51 34.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.266 -0.425 . . . . 10.72 110.692 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 35' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -129.48 147.32 51.28 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.299 -0.409 . . . . 10.54 110.07 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 36' ' ' HIS . . . . . . . . . . . . . 76.4 t60 -158.1 150.71 22.42 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.304 -0.407 . . . . 10.1 110.757 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -94.48 124.96 38.83 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.078 -0.51 . . . . 9.77 109.998 179.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 38' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -113.64 -179.29 3.6 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 116.264 -0.425 . . . . 9.82 110.346 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.46 152.91 44.27 Favored Pre-proline 0 C--N 1.326 -0.43 0 N-CA-C 109.355 -0.609 . . . . 11.97 109.355 179.32 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -63.35 -17.21 58.99 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.402 2.068 . . . . 12.89 112.186 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.4 -14.56 45.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.96 -0.564 . . . . 14.73 110.446 179.268 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -79.08 130.72 35.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.975 -0.557 . . . . 11.77 109.635 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 18.7 p -92.4 178.45 5.83 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.434 -0.348 . . . . 11.41 110.283 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 48.2 mm -60.5 -28.27 42.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.279 0.561 . . . . 8.13 110.004 179.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 43.9 tp -62.69 -37.48 86.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.516 -0.766 . . . . 12.88 110.524 179.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 46' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -63.13 -37.56 87.69 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.292 -0.413 . . . . 12.59 110.998 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 55.2 mt -63.19 -42.19 95.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 109.46 -0.57 . . . . 8.04 109.46 179.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 48' ' ' LYS . . . . . 0.429 ' HZ3' ' CG ' ' C' ' 74' ' ' ASP . 96.1 mttt -64.95 -44.45 89.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.47 -0.786 . . . . 10.51 110.419 179.427 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -59.52 -36.15 75.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.937 -0.574 . . . . 14.34 110.533 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -69.2 -38.24 78.52 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.731 -0.668 . . . . 11.16 111.225 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 65.9 mt -62.45 -32.34 73.19 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.279 -0.419 . . . . 12.37 111.757 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 52' ' ' ILE . . . . . . . . . . . . . 60.7 mt -65.69 -42.43 92.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 120.948 0.404 . . . . 15.35 110.488 179.273 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.89 -16.18 62.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.062 -0.517 . . . . 15.02 111.167 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 54' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -95.02 10.06 37.11 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.061 -0.518 . . . . 14.38 110.126 179.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 56.17 43.63 26.42 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.634 -0.712 . . . . 18.85 111.349 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 33.4 mmtm -107.44 -28.23 9.95 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.184 -0.462 . . . . 14.91 111.667 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -141.4 166.95 23.34 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.226 -0.443 . . . . 15.28 110.247 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 58' ' ' SER . . . . . . . . . . . . . 2.5 t -103.64 -39.78 6.57 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.4 -0.364 . . . . 17.75 110.544 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 59' ' ' HIS . . . . . . . . . . . . . 86.5 m-70 -132.58 163.93 27.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.911 0.386 . . . . 19.98 111.957 -179.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 39.4 mm -69.23 -36.88 74.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.644 -0.707 . . . . 14.55 111.477 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 1.7 m -65.28 -23.49 67.05 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 113.053 0.761 . . . . 14.99 113.053 -178.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -77.76 -22.27 50.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.299 0.571 . . . . 16.71 111.188 -179.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 63' ' ' ILE . . . . . . . . . . . . . 33.4 mt -87.23 99.36 8.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 112.866 0.691 . . . . 11.09 112.866 -178.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 64' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -103.79 108.09 19.25 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.749 -0.834 . . . . 10.01 108.749 178.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 76.1 mt -93.17 142.7 27.01 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.675 0.274 . . . . 5.92 111.626 -179.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 1.7 mp -133.93 166.03 23.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.142 -0.481 . . . . 7.57 110.819 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 22.5 tp -140.68 66.35 1.38 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.798 -0.637 . . . . 7.44 109.351 179.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.29 87.4 0.1 Allowed 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.489 -0.778 . . . . 13.3 112.032 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 84.56 -58.18 5.0 Favored Glycine 0 CA--C 1.519 0.302 0 C-N-CA 120.629 -0.796 . . . . 8.93 113.109 179.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.52 142.24 34.36 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.822 0.344 . . . . 9.68 111.467 -179.523 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 71' ' ' VAL . . . . . . . . . . . . . 40.1 t -90.7 143.57 10.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.057 -0.52 . . . . 7.05 110.175 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 86.7 mt -94.51 125.45 39.16 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.956 0.407 . . . . 5.9 110.434 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 73' ' ' HIS . . . . . . . . . . . . . 21.7 m-70 -94.57 147.45 23.27 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.151 -0.477 . . . . 9.1 111.058 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 74' ' ' ASP . . . . . 0.429 ' CG ' ' HZ3' ' C' ' 48' ' ' LYS . 3.3 m-20 -52.13 -44.62 64.6 Favored 'General case' 0 C--O 1.236 0.366 0 O-C-N 123.721 0.638 . . . . 9.91 112.597 -179.094 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 75' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -78.22 67.89 4.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.118 0.485 . . . . 13.96 111.619 -179.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 76' ' ' LEU . . . . . . . . . . . . . 21.4 tp -155.56 148.57 24.48 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.839 -0.619 . . . . 9.58 109.493 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -103.61 156.06 18.07 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.733 0.301 . . . . 14.32 110.566 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 39.6 mt -62.96 -28.16 69.89 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.122 -0.49 . . . . 9.58 112.299 -179.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 79' ' ' SER . . . . . . . . . . . . . 12.3 m -67.99 -20.69 65.05 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.946 0.403 . . . . 12.92 111.797 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 80' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -87.31 -8.05 57.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.127 0.489 . . . . 12.44 110.862 -179.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 82.4 mt -81.06 128.88 34.21 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.05 -0.523 . . . . 10.15 109.919 179.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 82' ' ' LYS . . . . . . . . . . . . . 42.7 mmtm -81.45 45.26 0.85 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.335 0.588 . . . . 12.59 110.538 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 2.6 m -67.83 118.71 12.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.603 -0.726 . . . . 11.5 110.834 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 84' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -118.82 162.28 31.88 Favored Pre-proline 0 C--N 1.319 -0.758 0 CA-C-N 115.656 -0.702 . . . . 13.96 109.956 -179.455 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 85' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_exo -54.86 -27.14 51.75 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.987 2.458 . . . . 14.91 112.965 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -77.33 -23.72 50.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.702 0.287 . . . . 15.11 111.546 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 87' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -148.05 90.48 1.83 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.25 0.548 . . . . 12.37 111.758 -179.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 88' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -114.78 23.97 12.19 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.489 0.661 . . . . 10.56 109.854 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 89' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.84 132.64 50.84 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.458 -0.792 . . . . 9.87 110.962 -179.276 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 90' ' ' ILE . . . . . . . . . . . . . 42.2 mm -99.93 128.03 52.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 109.07 -0.715 . . . . 6.59 109.07 179.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 91' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.72 106.17 9.37 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.943 0.401 . . . . 8.75 110.628 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 92' ' ' VAL . . . . . . . . . . . . . 48.8 t -92.63 110.33 22.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 121.102 0.477 . . . . 9.58 110.601 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 93' ' ' MET . . . . . . . . . . . . . 50.7 mmm -109.54 68.2 0.67 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.301 -0.409 . . . . 10.9 110.772 -179.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 94' ' ' ILE . . . . . . . . . . . . . 81.9 mt -73.53 104.93 2.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 109.755 -0.461 . . . . 13.44 109.755 179.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 95' ' ' LYS . . . . . . . . . . . . . 12.2 mmtp . . . . . 0 C--N 1.323 -0.574 0 CA-C-N 115.494 -0.775 . . . . 14.95 109.431 -179.026 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.8 m . . . . . 0 C--O 1.238 0.467 0 N-CA-C 111.673 0.249 . . . . 10.77 111.673 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 60.44 59.74 2.17 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.666 0.746 . . . . 8.18 110.257 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 m -74.88 174.2 9.57 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.796 -1.093 . . . . 10.11 110.683 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.7 mttm -54.74 -43.82 73.02 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.041 -0.527 . . . . 11.15 112.025 -179.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -68.54 -39.05 81.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.614 -0.267 . . . . 11.43 111.617 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -61.16 -45.2 95.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.206 0.527 . . . . 8.91 109.912 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 71.5 mt -70.19 -45.6 75.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.547 -0.751 . . . . 6.78 111.195 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.46 -41.54 73.05 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.446 -0.343 . . . . 7.12 111.873 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.87 -41.01 95.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 7.6 110.934 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.1 mt -69.94 -32.97 71.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.169 -0.469 . . . . 5.62 111.155 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 93.7 mt -68.39 -51.36 48.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.063 -0.517 . . . . 4.53 110.977 179.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 31.5 m -64.76 -37.77 81.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.448 -0.342 . . . . 6.96 111.751 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -62.7 -36.99 84.73 Favored 'General case' 0 C--N 1.334 -0.091 0 CA-C-O 121.016 0.436 . . . . 7.61 110.324 179.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -61.87 -43.8 98.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.054 -0.521 . . . . 5.51 110.101 179.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -63.96 -41.11 97.67 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.078 -0.51 . . . . 6.35 110.092 179.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.9 m -59.17 -45.8 90.05 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.929 -0.578 . . . . 8.01 110.373 179.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.1 m -58.03 -45.23 87.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.464 -0.335 . . . . 8.27 110.962 179.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 70.6 mt -61.12 -48.15 90.32 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 CA-C-N 116.323 -0.399 . . . . 8.37 111.763 -179.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 31.5 m -72.02 -27.61 27.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 112.771 0.656 . . . . 9.63 112.771 -179.015 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -76.11 -41.02 51.57 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.753 0.311 . . . . 10.98 111.696 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.5 pttt -87.85 6.42 35.5 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.792 0.33 . . . . 11.09 110.6 179.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.2 mtpt 49.98 58.28 5.63 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.353 -0.839 . . . . 12.07 112.823 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -104.52 18.73 21.65 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.438 0.637 . . . . 9.58 109.671 179.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 11.2 tp -148.06 149.65 15.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.353 -0.839 . . . . 9.5 109.632 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.44 151.69 43.78 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.357 -0.383 . . . . 10.1 110.686 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -58.26 -27.27 63.85 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 112.225 0.454 . . . . 11.9 112.225 -179.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -63.91 -21.87 66.66 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.506 -0.315 . . . . 10.3 111.236 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -111.11 -8.38 23.79 Favored Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.858 -0.687 . . . . 8.75 111.387 179.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.76 -49.82 69.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.53 0.205 . . . . 8.42 111.299 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -66.93 -31.89 72.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.857 0.361 . . . . 9.73 110.064 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.1 m -65.31 -46.23 81.14 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.963 -0.562 . . . . 8.02 109.951 179.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 58.4 mt -68.49 -35.25 77.26 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.691 -0.485 . . . . 6.89 109.691 179.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -63.4 -48.41 77.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.594 -0.73 . . . . 9.79 111.054 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 13.7 p -68.52 -38.58 79.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.497 -0.32 . . . . 9.6 110.855 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.6 -45.63 92.01 Favored 'General case' 0 N--CA 1.457 -0.121 0 N-CA-C 109.924 -0.398 . . . . 7.62 109.924 178.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 30.1 ttm -58.36 -41.42 84.66 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.827 -0.624 . . . . 8.19 109.998 179.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -65.43 -45.09 85.23 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.736 -0.666 . . . . 11.12 110.6 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 90.3 m -63.91 -38.79 92.39 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.074 -0.512 . . . . 9.77 111.093 179.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 94.2 mt -62.07 -41.39 90.98 Favored 'Isoleucine or valine' 0 C--O 1.232 0.156 0 N-CA-C 109.651 -0.499 . . . . 9.06 109.651 178.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.4 m -58.71 -55.9 29.12 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.498 -0.773 . . . . 10.96 111.563 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -63.61 -29.72 70.93 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.355 0.502 . . . . 12.89 112.355 -179.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.31 -42.66 92.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.826 0.346 . . . . 11.68 111.227 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -84.21 -10.54 57.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.314 -0.403 . . . . 11.93 111.53 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 86.87 21.29 50.94 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 121.016 -0.611 . . . . 13.13 113.7 178.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 18.9 p90 -122.11 159.14 27.75 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 117.06 0.43 . . . . 12.01 110.693 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -92.41 141.28 28.7 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.547 -0.297 . . . . 14.85 110.295 179.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 14.4 ttp180 -55.63 -40.93 72.83 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.065 -0.516 . . . . 12.02 111.314 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -76.39 0.92 17.84 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.449 0.537 . . . . 13.0 112.449 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -100.07 2.03 42.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.732 0.301 . . . . 12.82 110.916 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 9.0 p -58.91 -35.62 57.38 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-O 121.071 0.463 . . . . 10.88 111.077 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.17 -40.57 96.4 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.731 -0.668 . . . . 12.18 110.738 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.56 -41.33 65.94 Favored Glycine 0 N--CA 1.449 -0.483 0 CA-C-N 115.793 -0.639 . . . . 12.77 111.82 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 90.7 mt -63.0 -51.54 70.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 120.68 0.276 . . . . 11.54 110.728 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 52.8 mt -62.38 -30.73 71.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.417 -0.356 . . . . 10.42 111.49 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -67.38 -27.64 73.55 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 121.052 -0.594 . . . . 12.46 113.0 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.1 ptpt -106.02 5.62 30.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 117.006 0.403 . . . . 14.49 111.491 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 67.3 m -100.21 168.12 10.01 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.003 -0.544 . . . . 10.83 111.81 -179.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -69.71 -39.79 76.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.296 -0.865 . . . . 10.68 110.777 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -78.96 41.05 0.42 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.612 -0.722 . . . . 8.55 112.047 -178.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -72.23 132.31 43.92 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.363 -0.38 . . . . 13.32 110.104 179.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 71.41 26.9 72.41 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.921 -0.657 . . . . 9.82 112.602 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -130.16 154.73 47.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.913 0.387 . . . . 9.22 110.731 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 46.4 m80 -115.57 159.47 21.23 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.048 -0.723 . . . . 9.01 109.048 178.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 19.3 tp -59.28 -39.97 84.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.808 0.337 . . . . 4.77 111.265 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.46 -40.88 96.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 5.96 111.037 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -59.36 -48.07 83.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.08 0.467 . . . . 7.82 110.607 -179.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 70.2 mt -62.15 -48.53 88.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.632 -0.713 . . . . 5.79 111.383 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.3 mp -64.68 -28.71 69.79 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.085 0.402 . . . . 5.97 112.085 -179.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -78.17 -20.11 52.62 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.072 0.463 . . . . 9.81 110.532 179.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 9.8 m -94.27 -31.55 14.03 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.09 -0.505 . . . . 7.98 110.629 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.72 103.64 1.14 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.309 0.576 . . . . 7.06 110.961 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 15.3 m -87.05 118.92 26.75 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.733 -0.667 . . . . 9.21 110.181 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -131.52 99.23 4.74 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.281 -0.418 . . . . 9.55 110.623 -179.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 38.3 t -99.15 115.92 65.46 Favored Pre-proline 0 C--N 1.327 -0.373 0 N-CA-C 109.838 -0.43 . . . . 12.15 109.838 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_endo -78.14 80.22 3.05 Favored 'Trans proline' 0 C--O 1.235 0.36 0 C-N-CA 122.824 2.35 . . . . 12.82 112.714 -179.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -72.84 101.82 3.24 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.833 -0.621 . . . . 14.19 110.799 179.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 14.1 m . . . . . 0 C--O 1.25 1.095 0 CA-C-N 115.666 -0.697 . . . . 15.67 110.357 179.848 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 59.2 ttp . . . . . 0 N--CA 1.483 1.182 0 CA-C-O 120.578 0.227 . . . . 11.23 111.428 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 13.2 mmt -80.78 70.35 7.53 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 110.288 -0.264 . . . . 13.11 110.288 -179.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 27.2 m 64.76 99.81 0.04 OUTLIER 'General case' 0 CA--C 1.523 -0.092 0 O-C-N 123.801 0.688 . . . . 11.68 109.965 -178.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -42.98 97.3 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.302 0 O-C-N 123.696 0.623 . . . . 8.3 112.417 -178.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 8.6 m -101.12 173.55 6.41 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.638 -0.71 . . . . 9.28 110.133 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -56.25 -46.17 79.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.428 -0.351 . . . . 8.73 110.917 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -61.48 -50.56 72.26 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.292 0.478 . . . . 9.58 112.292 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -57.27 -36.29 70.82 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 112.058 0.392 . . . . 8.61 112.058 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 54.1 mt -85.53 -49.81 15.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 112.571 0.582 . . . . 5.19 112.571 -178.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.23 -38.25 73.5 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.182 0.438 . . . . 4.42 112.182 -178.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.75 -44.14 85.91 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 123.238 0.336 . . . . 5.79 110.946 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 91.6 mt -72.19 -35.16 68.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.233 -0.439 . . . . 4.52 111.274 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 90.3 mt -60.79 -54.17 39.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.438 . . . . 4.37 110.649 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 30.9 m -68.88 -32.73 55.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.358 -0.383 . . . . 6.25 111.055 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -62.13 -43.55 98.58 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 116.271 -0.422 . . . . 7.24 110.148 179.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -59.03 -50.08 75.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.745 -0.662 . . . . 7.41 110.477 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -62.68 -41.15 98.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 8.36 111.179 -179.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 35.1 m -63.74 -35.59 81.09 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.234 -0.439 . . . . 9.5 110.734 179.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 14.9 m -75.33 -14.81 60.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.221 0.534 . . . . 9.77 110.964 179.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 79.2 mt -82.91 -45.77 19.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.055 -0.521 . . . . 11.09 110.114 179.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 18.9 m -73.12 -36.08 49.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 113.022 0.749 . . . . 12.38 113.022 -179.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -58.58 -36.13 73.5 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 112.656 0.613 . . . . 13.19 112.656 -178.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 25.8 pttm -106.95 13.14 27.98 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.766 0.284 . . . . 13.7 111.766 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 20.2 ttmm 50.77 64.12 1.95 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.555 0.693 . . . . 16.11 112.043 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -90.14 -23.75 21.26 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.709 -0.678 . . . . 12.56 110.129 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 15.1 tt -110.46 167.84 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.583 -0.735 . . . . 13.67 110.317 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -77.1 166.96 22.58 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.935 0.398 . . . . 15.14 111.413 -179.732 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -61.25 -27.62 68.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.882 -0.599 . . . . 16.66 112.501 -179.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.38 -59.18 2.86 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.395 -0.366 . . . . 15.52 110.956 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.27 -27.45 60.4 Favored Glycine 0 CA--C 1.518 0.269 0 CA-C-N 116.056 -0.52 . . . . 13.62 112.822 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.85 -36.46 83.33 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.978 0.418 . . . . 12.71 110.267 179.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . 0.402 ' CG ' ' HZ2' ' C' ' 25' ' ' LYS . 0.5 OUTLIER -69.25 -40.8 77.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.826 -0.624 . . . . 13.38 109.863 179.621 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -63.45 -47.38 82.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.693 -0.685 . . . . 11.95 110.253 179.612 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 33.1 mt -67.24 -29.29 68.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 10.13 111.14 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -55.72 -55.0 37.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.824 -0.625 . . . . 11.27 110.672 179.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 10.9 p -76.13 -30.48 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 10.04 111.437 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.37 -41.2 84.24 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.918 0.39 . . . . 8.58 110.441 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 61.7 mtm -62.78 -40.37 97.1 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.94 -0.573 . . . . 7.93 110.503 179.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.52 -42.65 91.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.913 -0.585 . . . . 9.48 110.412 179.612 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 92.9 m -59.95 -45.36 92.89 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.048 -0.524 . . . . 8.46 111.151 179.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 82.5 mt -63.05 -43.16 98.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.431 -0.35 . . . . 6.23 110.314 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 17.5 m -60.85 -52.8 63.52 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.004 -0.544 . . . . 7.39 111.999 -179.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . 0.488 ' CD ' ' HZ3' ' C' ' 70' ' ' LYS . 0.8 OUTLIER -66.84 -31.66 72.42 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 112.422 0.527 . . . . 8.81 112.422 -179.06 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.12 -41.93 73.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.717 0.294 . . . . 7.38 110.93 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -76.25 -35.48 58.95 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.251 -0.431 . . . . 8.09 111.405 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 111.21 25.92 4.83 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.556 -0.83 . . . . 9.43 113.561 179.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 23.1 p90 -131.9 178.59 6.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 122.716 -0.285 . . . . 8.7 110.692 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -122.66 150.41 42.72 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 110.088 -0.338 . . . . 11.16 110.088 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 24.5 ttp180 -63.65 -25.49 68.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.062 -0.517 . . . . 11.12 111.229 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -79.79 -6.19 56.83 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.027 -0.533 . . . . 11.8 111.11 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -105.81 10.31 32.64 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.76 0.314 . . . . 10.53 111.351 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 12.7 p -61.66 -32.79 54.78 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 CA-C-O 120.789 0.328 . . . . 9.19 111.726 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.46 -35.13 75.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.007 0.432 . . . . 10.94 111.015 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -72.2 -29.85 65.92 Favored Glycine 0 N--CA 1.451 -0.341 0 CA-C-N 115.91 -0.586 . . . . 11.05 111.873 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 58.2 mt -79.36 -52.25 15.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 120.51 0.195 . . . . 9.74 110.721 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 32.0 mt -57.51 -40.53 78.91 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 112.215 0.45 . . . . 9.17 112.215 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -72.93 -22.02 79.41 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.67 -0.776 . . . . 11.56 112.5 -179.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 2.8 ttmp? -87.29 -59.01 2.37 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.852 0.358 . . . . 12.67 110.627 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 14.4 m -62.09 165.37 5.73 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.73 -0.668 . . . . 9.82 111.282 -179.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -83.69 54.17 2.78 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.48 0.548 . . . . 10.24 112.48 -178.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -145.12 22.84 1.54 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.744 -0.662 . . . . 7.84 109.812 178.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.38 127.81 33.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.355 -0.839 . . . . 11.89 111.747 -179.381 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 74.71 16.69 80.15 Favored Glycine 0 N--CA 1.451 -0.337 0 CA-C-N 115.676 -0.693 . . . . 8.65 113.081 179.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 14.0 mm-40 -120.84 160.38 23.53 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 122.694 -0.298 . . . . 7.81 110.478 -179.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 64.2 m80 -126.48 149.25 49.45 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.784 -0.45 . . . . 8.35 109.784 179.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 20.1 tp -56.55 -33.45 66.14 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.242 -0.435 . . . . 4.32 112.059 -179.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.73 -56.5 17.0 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.07 0.396 . . . . 5.79 112.07 -179.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.3 -41.87 84.69 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.718 0.636 . . . . 6.75 112.718 -179.277 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 93.9 mt -56.22 -46.91 81.5 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 CA-C-O 120.897 0.38 . . . . 4.76 111.502 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 5.1 mp -67.17 -34.41 77.48 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.142 -0.481 . . . . 5.48 111.308 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -70.64 -37.81 73.8 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.271 -0.422 . . . . 8.15 111.861 -179.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.4 p -66.18 -22.23 66.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.946 0.403 . . . . 6.84 111.525 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -75.88 128.82 35.92 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 109.445 -0.576 . . . . 6.55 109.445 179.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 3.4 m -101.95 101.45 11.86 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.006 0.431 . . . . 8.4 110.508 -179.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 9.8 mmm180 -96.24 119.13 34.17 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.084 0.468 . . . . 10.77 111.271 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 3.2 t -94.52 120.95 64.36 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 115.737 -0.665 . . . . 11.96 109.612 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_exo . . . . . 0 N--CA 1.46 -0.484 0 C-N-CA 122.747 2.298 . . . . 13.1 111.791 179.889 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 45.1 t . . . . . 0 CA--C 1.528 0.127 0 CA-C-O 121.358 0.599 . . . . 9.99 110.1 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 21' ' ' HIS . . . . . . . . . . . . . 17.7 t60 -78.03 111.57 14.05 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.574 -0.739 . . . . 9.56 110.543 -179.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 22' ' ' LEU . . . . . . . . . . . . . 95.8 mt -118.69 143.88 46.56 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.465 -0.334 . . . . 6.88 111.228 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 23' ' ' THR . . . . . . . . . . . . . 5.4 m -102.59 120.05 39.87 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.696 -0.684 . . . . 8.91 109.507 179.039 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 24' ' ' LEU . . . . . . . . . . . . . 35.7 mt -103.45 115.01 29.74 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 110.089 -0.337 . . . . 8.66 110.089 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 25' ' ' LYS . . . . . 0.402 ' HZ2' ' CG ' ' B' ' 45' ' ' ASP . 63.4 tttt -124.17 128.09 48.72 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.715 0.293 . . . . 14.0 111.024 -179.428 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 5.4 ttpp -90.5 128.1 36.43 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.262 -0.426 . . . . 14.52 110.142 178.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 27' ' ' ILE . . . . . . . . . . . . . 40.4 pt -80.71 -23.66 11.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 112.923 0.712 . . . . 14.88 112.923 -178.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -104.56 143.12 33.49 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.653 0.263 . . . . 15.23 110.886 -179.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.38 140.63 98.01 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 116.132 -0.485 . . . . 18.5 110.871 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 30' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -70.2 133.81 27.83 Favored 'Cis proline' 0 C--N 1.345 0.347 0 C-N-CA 123.173 -1.595 . . . . 17.48 112.1 -0.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 34.0 mtmt -91.13 137.9 32.01 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.326 -0.397 . . . . 17.92 110.613 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 24.0 p90 -155.05 159.45 40.29 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.036 -0.529 . . . . 13.5 110.21 179.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 33' ' ' SER . . . . . . . . . . . . . 6.8 m -134.62 101.79 5.07 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.173 -0.467 . . . . 12.59 109.972 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 36.1 pt -110.95 156.67 12.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.455 -0.339 . . . . 10.72 110.477 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 35' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -130.59 149.85 52.06 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.824 0.345 . . . . 10.54 110.967 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 36' ' ' HIS . . . . . . . . . . . . . 31.1 t60 -157.88 141.04 15.16 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.782 -0.645 . . . . 10.1 110.0 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -86.14 99.25 11.38 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.088 -0.505 . . . . 9.77 109.868 179.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 38' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -88.09 -172.71 3.93 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.206 -0.452 . . . . 9.82 110.451 -179.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.46 147.19 41.35 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 116.236 -0.438 . . . . 11.97 110.168 179.745 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -68.38 -15.19 41.75 Favored 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 122.456 2.104 . . . . 12.89 112.486 -179.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 41' ' ' SER . . . . . . . . . . . . . 1.4 m -91.59 4.19 53.23 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.252 -0.431 . . . . 14.73 111.025 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -93.23 157.87 16.04 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.037 0.446 . . . . 11.77 111.088 -179.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -103.09 167.18 9.99 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.857 -0.61 . . . . 11.41 109.668 179.697 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 11.6 mm -55.89 -31.88 31.35 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 CA-C-O 121.193 0.52 . . . . 8.13 110.497 179.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 59.9 tp -56.99 -31.99 65.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.551 -0.75 . . . . 12.88 111.593 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 46' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -64.12 -38.33 90.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.766 0.317 . . . . 12.59 111.182 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 64.9 mt -66.05 -41.85 90.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 108.967 -0.753 . . . . 8.04 108.967 178.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 77.5 mttt -61.81 -44.46 96.81 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.358 -0.837 . . . . 10.51 110.088 178.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -61.45 -40.64 95.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.753 -0.658 . . . . 14.34 111.09 179.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 44.7 t60 -65.94 -34.87 79.11 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.367 -0.379 . . . . 11.16 110.935 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 89.4 mt -64.19 -36.4 83.95 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.333 -0.394 . . . . 12.37 110.663 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 52' ' ' ILE . . . . . . . . . . . . . 49.8 mt -74.61 -43.18 48.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.232 -0.44 . . . . 15.35 110.68 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 12.4 p -64.94 -28.46 69.54 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.908 0.385 . . . . 15.02 110.952 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 54' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -89.82 10.25 24.32 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.326 -0.397 . . . . 14.38 110.776 178.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 55.3 39.22 31.24 Favored 'General case' 0 C--O 1.233 0.215 0 N-CA-C 113.234 0.827 . . . . 18.85 113.234 179.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 48.2 mmtm -98.02 -23.81 15.62 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.169 0.509 . . . . 14.91 109.766 179.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -138.73 179.61 6.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.49 -0.777 . . . . 15.28 109.482 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 58' ' ' SER . . . . . . . . . . . . . 3.7 m -117.53 -49.74 2.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.831 0.348 . . . . 17.75 111.725 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 59' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -121.67 151.05 40.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.958 0.408 . . . . 19.98 111.609 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 18.1 mm -64.0 -33.16 60.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.614 -0.721 . . . . 14.55 111.265 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.94 -29.28 67.5 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.741 0.645 . . . . 14.99 112.741 -178.748 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -71.42 -27.62 63.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.034 0.445 . . . . 16.71 111.312 -179.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 63' ' ' ILE . . . . . . . . . . . . . 32.3 mt -76.84 115.5 18.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.521 -0.763 . . . . 11.09 112.211 -178.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 64' ' ' LYS . . . . . . . . . . . . . 35.8 tptt -116.78 106.36 13.39 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.535 -0.913 . . . . 10.01 108.535 178.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 77.6 mt -92.84 144.07 25.64 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.752 0.311 . . . . 5.92 111.222 -179.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 9.6 mt -139.32 146.12 39.92 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.138 -0.483 . . . . 7.57 111.279 -179.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 55.1 tp -147.48 111.21 5.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.056 -0.52 . . . . 7.44 109.934 178.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 13.8 mmmt 59.15 33.59 22.86 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.05 -0.523 . . . . 13.3 111.124 -179.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 93.58 -35.26 4.21 Favored Glycine 0 N--CA 1.449 -0.453 0 CA-C-N 115.713 -0.676 . . . . 8.93 112.59 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 70' ' ' LYS . . . . . 0.488 ' HZ3' ' CD ' ' B' ' 56' ' ' GLU . 0.0 OUTLIER -67.09 126.16 28.31 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.846 0.355 . . . . 9.68 110.613 -179.715 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 71' ' ' VAL . . . . . . . . . . . . . 15.9 t -75.59 125.08 34.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.919 -0.582 . . . . 7.05 109.806 179.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 28.8 mt -88.4 103.09 15.52 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.156 -0.474 . . . . 5.9 109.86 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 73' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -84.79 162.1 19.71 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.951 -0.568 . . . . 9.1 111.952 -179.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -55.95 -30.08 61.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.59 -0.732 . . . . 9.91 112.949 -178.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 75' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -91.08 23.41 3.26 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 113.187 0.81 . . . . 13.96 113.187 -177.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 76' ' ' LEU . . . . . . . . . . . . . 48.3 tp -112.43 135.72 52.78 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 122.133 -0.354 . . . . 9.58 110.483 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -86.22 153.63 21.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.931 0.396 . . . . 14.32 111.679 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 36.1 mt -70.3 -20.58 63.01 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.088 -0.506 . . . . 9.58 111.218 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 79' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.21 -19.82 63.97 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.14 -0.482 . . . . 12.92 111.885 -179.501 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 80' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -93.08 -14.0 27.86 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.825 0.345 . . . . 12.44 111.063 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 36.0 mt -57.86 127.34 31.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.108 0.48 . . . . 10.15 111.76 -179.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 82' ' ' LYS . . . . . . . . . . . . . 3.8 mmtt -83.21 57.45 3.97 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.749 -0.66 . . . . 12.59 109.715 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 1.6 m -89.31 101.64 12.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.397 0.618 . . . . 11.5 112.105 -178.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 84' ' ' THR . . . . . . . . . . . . . 33.3 p -99.28 166.44 12.96 Favored Pre-proline 0 C--N 1.321 -0.639 0 N-CA-C 108.388 -0.967 . . . . 13.96 108.388 179.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 85' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_exo -58.99 -24.02 71.24 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.231 1.954 . . . . 14.91 111.132 178.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -78.67 -34.11 46.5 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.841 -0.618 . . . . 15.11 111.023 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 87' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -134.75 80.85 1.87 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.323 0.583 . . . . 12.37 112.179 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 88' ' ' SER . . . . . . . . . . . . . 3.6 m -105.69 13.45 29.76 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.888 -0.597 . . . . 10.56 110.85 179.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 89' ' ' THR . . . . . . . . . . . . . 3.9 m -99.28 119.02 37.23 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.059 0.457 . . . . 9.87 111.603 -179.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 90' ' ' ILE . . . . . . . . . . . . . 43.9 mm -88.52 130.11 38.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 108.93 -0.767 . . . . 6.59 108.93 179.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 91' ' ' THR . . . . . . . . . . . . . 10.5 m -77.97 117.41 19.28 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.401 -0.363 . . . . 8.75 110.874 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 92' ' ' VAL . . . . . . . . . . . . . 48.2 t -103.93 111.35 33.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.187 0.517 . . . . 9.58 110.615 179.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 93' ' ' MET . . . . . . . . . . . . . 4.5 ttt -114.9 141.19 48.27 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.234 -0.654 . . . . 10.9 109.234 179.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 94' ' ' ILE . . . . . . . . . . . . . 51.9 mt -130.6 122.17 52.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 120.912 0.386 . . . . 13.44 110.713 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 95' ' ' LYS . . . . . . . . . . . . . 18.2 mmtp . . . . . 0 C--N 1.324 -0.518 0 CA-C-N 115.907 -0.588 . . . . 14.95 109.925 179.685 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.234 0.244 0 CA-C-O 120.571 0.224 . . . . 10.77 110.994 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 58.0 61.72 2.28 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.349 0.595 . . . . 8.18 110.194 -179.286 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -65.99 143.69 57.21 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.203 -0.908 . . . . 10.11 110.579 -179.415 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 61.8 mttm -57.6 -33.85 68.63 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.094 -0.503 . . . . 11.15 111.666 -179.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.4 pm0 -68.94 -35.86 77.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.479 -0.328 . . . . 11.43 111.01 179.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -65.85 -46.23 79.26 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 109.441 -0.577 . . . . 8.91 109.441 179.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 40.6 mt -61.49 -47.21 94.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.325 -0.852 . . . . 6.78 110.078 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.57 -42.09 91.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.072 -0.513 . . . . 7.12 110.812 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.09 -43.38 98.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.991 -0.549 . . . . 7.6 110.591 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 39.5 mt -67.24 -35.48 79.65 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.385 -0.37 . . . . 5.62 110.927 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 92.9 mt -65.82 -51.5 60.89 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 CA-C-N 116.184 -0.462 . . . . 4.53 110.527 179.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.2 m -66.27 -33.13 61.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 C-N-CA 121.005 -0.278 . . . . 6.96 111.064 179.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -66.65 -36.89 83.64 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.292 -0.632 . . . . 7.61 109.292 178.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 57.2 t80 -62.28 -49.92 73.74 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.656 -0.702 . . . . 5.51 110.01 178.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -60.53 -40.64 92.23 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.178 -0.465 . . . . 6.35 110.422 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.3 m -63.52 -42.75 98.45 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.803 -0.635 . . . . 8.01 110.456 179.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 39.1 m -59.91 -34.35 73.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.099 0.476 . . . . 8.27 110.365 179.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 79.5 mt -67.81 -48.04 77.19 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 CA-C-N 115.896 -0.593 . . . . 8.37 110.743 179.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 35.1 m -72.22 -22.42 20.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 N-CA-C 112.336 0.495 . . . . 9.63 112.336 -179.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -57.65 -52.69 64.38 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.397 0.617 . . . . 10.98 110.288 178.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 24.7 pttt -97.48 5.83 49.08 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.726 -0.67 . . . . 11.09 110.631 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 37.9 tttm 55.16 55.91 7.07 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.701 -0.681 . . . . 12.07 111.223 -179.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -92.1 36.03 0.98 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.595 -0.73 . . . . 9.58 109.738 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 16.4 tt -162.32 156.1 2.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.443 -0.799 . . . . 9.5 110.088 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.95 152.58 41.33 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.082 -0.508 . . . . 10.1 110.54 179.604 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -56.63 -35.77 68.7 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.185 -0.461 . . . . 11.9 111.845 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -61.52 -44.88 96.26 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 109.835 -0.432 . . . . 10.3 109.835 179.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.46 -37.72 58.38 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.85 -0.614 . . . . 8.75 111.65 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.28 -35.61 77.8 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 121.049 0.452 . . . . 8.42 110.213 179.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -60.47 -45.01 95.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.797 -0.638 . . . . 9.73 109.763 179.171 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.5 m -65.56 -31.12 72.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.75 -0.659 . . . . 8.02 110.634 178.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 78.3 mt -70.74 -33.45 70.85 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.87 0.367 . . . . 6.89 110.326 179.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -60.17 -34.97 74.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.933 -0.576 . . . . 9.79 111.248 179.65 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.1 p -89.86 -38.73 11.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.403 -0.362 . . . . 9.6 111.119 179.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.63 -50.84 71.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.666 -0.243 . . . . 7.62 111.193 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 27.8 ttm -58.39 -37.0 74.4 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.412 0.625 . . . . 8.19 110.364 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -67.67 -42.52 82.02 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.154 -0.93 . . . . 11.12 110.522 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 79.4 m -65.52 -37.34 86.47 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.1 -0.5 . . . . 9.77 110.796 179.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 84.2 mt -63.05 -41.8 94.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.149 0.5 . . . . 9.06 109.785 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.6 m -59.2 -53.35 59.28 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.473 -0.785 . . . . 10.96 111.719 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -65.69 -35.95 82.23 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 112.101 0.408 . . . . 12.89 112.101 -179.083 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.52 -36.46 83.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.457 -0.338 . . . . 11.68 111.799 -179.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -91.86 -2.88 56.65 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.803 0.335 . . . . 11.93 111.866 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.66 30.51 68.5 Favored Glycine 0 CA--C 1.519 0.3 0 C-N-CA 121.161 -0.543 . . . . 13.13 113.618 179.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 7.5 p90 -128.99 145.32 51.27 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.875 0.337 . . . . 12.01 110.206 179.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -83.36 144.41 29.68 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.905 0.383 . . . . 14.85 111.412 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 27.0 ttp180 -58.03 -32.93 68.44 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.565 -0.743 . . . . 12.02 111.585 -179.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.72 2.21 23.63 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.713 0.634 . . . . 13.0 112.713 -179.239 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -105.0 3.09 30.23 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.809 0.338 . . . . 12.82 111.301 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.3 p -58.53 -39.78 76.58 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 CA-C-N 116.262 -0.426 . . . . 10.88 111.331 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.38 -37.41 86.9 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.108 -0.497 . . . . 12.18 110.822 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -69.29 -45.44 61.04 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.928 -0.653 . . . . 12.77 111.758 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 87.3 mt -61.87 -47.53 92.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.745 0.307 . . . . 11.54 110.621 179.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 89.6 mt -63.58 -37.83 88.83 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.46 -0.337 . . . . 10.42 111.217 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -65.15 -31.56 81.12 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 121.092 -0.575 . . . . 12.46 113.261 -179.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -96.13 8.36 44.01 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.131 0.419 . . . . 14.49 112.131 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 19.4 m -118.03 170.2 9.04 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.587 -0.278 . . . . 10.83 110.436 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -71.95 -23.54 61.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.887 0.375 . . . . 10.68 111.422 -179.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -82.43 39.41 0.6 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.207 -0.451 . . . . 8.55 112.05 -178.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 12.2 ptmt -87.15 120.61 28.61 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.989 0.423 . . . . 13.32 111.009 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 90.17 12.78 61.26 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.971 -0.633 . . . . 9.82 112.168 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -125.71 159.01 33.38 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.852 0.358 . . . . 9.22 110.649 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 4.3 m80 -122.11 158.43 29.3 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.075 -0.713 . . . . 9.01 109.075 179.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 20.8 tp -58.19 -31.66 67.51 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.809 0.338 . . . . 4.77 111.518 -179.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.31 -58.7 5.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.089 -0.505 . . . . 5.96 111.549 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -60.87 -37.89 83.69 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 112.612 0.597 . . . . 7.82 112.612 -179.371 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.79 -47.86 89.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.887 0.375 . . . . 5.79 110.469 179.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.9 mp -72.31 -23.98 61.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 5.97 110.885 179.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -71.61 -33.97 69.44 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.202 -0.454 . . . . 9.81 110.272 179.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 11.1 m -82.17 -9.19 59.6 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.645 -0.707 . . . . 7.98 110.744 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -69.03 96.8 0.81 Allowed 'General case' 0 C--O 1.237 0.426 0 CA-C-O 121.329 0.585 . . . . 7.06 111.091 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 12.8 m -86.78 108.39 18.69 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.578 -0.737 . . . . 9.21 109.87 179.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -125.4 127.35 46.42 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.081 -0.509 . . . . 9.55 109.98 -179.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 13.3 t -106.52 116.64 58.73 Favored Pre-proline 0 C--N 1.319 -0.738 0 N-CA-C 109.663 -0.495 . . . . 12.15 109.663 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_exo -71.61 73.48 2.3 Favored 'Trans proline' 0 C--O 1.233 0.256 0 C-N-CA 123.174 2.583 . . . . 12.82 112.195 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -80.07 90.7 5.43 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.026 -0.534 . . . . 14.19 110.929 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 40.4 m . . . . . 0 C--O 1.248 0.987 0 N-CA-C 109.208 -0.664 . . . . 15.67 109.208 179.766 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 50.0 ttp . . . . . 0 N--CA 1.48 1.061 0 CA-C-O 120.641 0.258 . . . . 11.23 110.855 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 94.3 mmm -80.97 53.83 2.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.713 -0.221 . . . . 13.11 110.968 179.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 14.7 m 62.95 101.12 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.066 -0.515 . . . . 11.68 111.214 -178.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.61 103.7 0.22 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.043 -0.526 . . . . 8.3 111.286 -179.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 1.4 m -78.41 163.52 25.56 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.692 -0.686 . . . . 9.28 110.684 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -59.67 -43.87 93.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.287 -0.415 . . . . 8.73 111.339 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 6.9 pm0 -63.76 -36.19 83.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.288 -0.414 . . . . 9.58 111.295 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -69.64 -44.35 70.8 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.109 -0.496 . . . . 8.61 110.707 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 90.3 mt -65.53 -43.58 94.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.144 -0.48 . . . . 5.19 110.129 179.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.0 -38.48 82.72 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.889 -0.596 . . . . 4.42 110.951 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.76 -39.58 89.29 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.346 -0.388 . . . . 5.79 110.678 179.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 77.7 mt -71.42 -34.94 70.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 4.52 110.403 179.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 97.9 mt -64.61 -51.13 71.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.934 -0.576 . . . . 4.37 110.526 179.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 30.6 m -66.78 -31.77 55.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.546 -0.297 . . . . 6.25 110.86 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -64.29 -42.49 96.38 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.56 -0.533 . . . . 7.24 109.56 178.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -61.34 -47.96 83.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.572 -0.74 . . . . 7.41 110.332 179.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 19.9 m-30 -62.18 -39.13 91.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.276 -0.42 . . . . 8.36 110.894 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 41.3 m -65.98 -33.87 76.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.077 -0.511 . . . . 9.5 110.515 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 33.6 m -70.05 -24.07 63.2 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.099 0.476 . . . . 9.77 110.919 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 91.3 mt -77.23 -46.85 27.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.969 -0.56 . . . . 11.09 110.03 179.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 35.5 m -80.33 -2.91 5.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.008 -0.542 . . . . 12.38 111.368 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.02 -41.83 34.46 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.738 -0.665 . . . . 13.19 110.789 179.508 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 10.3 pttm -115.01 8.44 15.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.482 -0.326 . . . . 13.7 111.528 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 21.1 ttmm 60.91 67.14 0.84 Allowed 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.513 -0.767 . . . . 16.11 112.006 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -86.51 -20.74 27.59 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.999 -0.546 . . . . 12.56 110.348 179.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 7.9 tp -116.01 169.89 6.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.144 -0.48 . . . . 13.67 110.744 -179.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 5.6 p -72.29 168.16 18.91 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.878 0.37 . . . . 15.14 111.378 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.7 -32.14 73.17 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.855 0.687 . . . . 16.66 112.855 -179.271 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 20.4 p-10 -74.64 -42.07 59.21 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.742 -0.383 . . . . 15.52 110.506 179.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.43 -35.6 91.57 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.792 -0.718 . . . . 13.62 111.416 178.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.06 -32.01 73.51 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.813 0.339 . . . . 12.71 110.798 179.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -67.5 -49.32 63.99 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.386 -0.598 . . . . 13.38 109.386 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 3.6 m -61.15 -40.56 94.3 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.81 -0.632 . . . . 11.95 110.655 179.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 47.1 mt -62.13 -37.33 84.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.247 -0.433 . . . . 10.13 110.758 179.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -65.32 -36.64 84.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.072 -0.513 . . . . 11.27 109.845 179.537 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 98.7 t -70.07 -48.63 61.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.048 -0.524 . . . . 10.04 109.719 179.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.54 -36.23 77.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.993 -0.549 . . . . 8.58 110.923 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 43.9 ttm -55.62 -41.18 73.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.101 -0.5 . . . . 7.93 110.931 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -72.73 -46.04 55.59 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.834 -0.621 . . . . 9.48 110.554 179.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 27.6 m -57.1 -42.74 81.36 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.703 -0.68 . . . . 8.46 111.66 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 95.2 mt -66.7 -43.77 89.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.84 0.352 . . . . 6.23 110.668 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 49.2 m -58.22 -52.3 66.17 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.989 -0.55 . . . . 7.39 112.167 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -67.99 -31.52 71.28 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.237 0.458 . . . . 8.81 112.237 -179.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.54 -46.45 85.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.846 0.355 . . . . 7.38 111.422 -179.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -81.86 -22.02 37.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 8.09 111.848 -179.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.83 56.39 1.52 Allowed Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.704 -0.76 . . . . 9.43 113.141 179.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 21.3 p90 -161.68 170.29 19.98 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.825 -0.435 . . . . 8.7 109.825 179.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -119.39 147.12 44.72 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.766 0.317 . . . . 11.16 110.783 179.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 49.8 ttp180 -57.06 -34.95 68.78 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.667 -0.697 . . . . 11.12 111.554 -179.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 18.9 mp0 -69.22 -5.14 20.85 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.53 0.567 . . . . 11.8 112.53 -179.143 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -116.0 13.86 15.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.756 0.312 . . . . 10.53 111.204 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 8.1 p -64.93 -31.42 53.82 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 CA-C-N 116.446 -0.343 . . . . 9.19 111.852 -179.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 1.7 m -67.19 -32.37 73.4 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 121.032 0.444 . . . . 10.94 110.989 -179.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -71.96 -28.28 68.94 Favored Glycine 0 N--CA 1.451 -0.351 0 N-CA-C 111.729 -0.548 . . . . 11.05 111.729 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 59.4 mt -81.27 -53.22 12.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.949 0.404 . . . . 9.74 109.996 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 78.4 mt -61.31 -33.15 73.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.067 -0.515 . . . . 9.17 111.675 -179.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -79.05 -10.9 85.72 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.987 -0.625 . . . . 11.56 112.271 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -98.14 -39.21 9.0 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.233 0.54 . . . . 12.67 110.048 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 68.9 m -79.05 168.79 19.17 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.625 -0.716 . . . . 9.82 110.938 179.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -80.8 14.59 2.1 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.033 -0.531 . . . . 10.24 111.219 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -97.71 7.38 46.53 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.938 0.399 . . . . 7.84 110.946 -179.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 11.3 ptmt -65.19 122.69 17.68 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.953 -0.567 . . . . 11.89 110.992 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 89.0 10.45 66.44 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.706 -0.759 . . . . 8.65 111.567 -179.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -125.31 159.38 31.86 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.939 0.399 . . . . 7.81 110.267 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 36.2 m80 -125.63 156.92 38.45 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.038 -0.727 . . . . 8.35 109.038 179.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 27.0 tp -57.34 -45.17 84.56 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.844 0.354 . . . . 4.32 111.274 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.52 -35.72 79.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 5.79 111.079 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -63.12 -40.78 98.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.918 -0.583 . . . . 6.75 111.373 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 82.6 mt -70.43 -42.68 78.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.969 -0.56 . . . . 4.76 111.26 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 6.9 mp -64.95 -24.44 67.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.019 0.437 . . . . 5.48 111.66 -179.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 28.2 t30 -75.27 -42.6 54.64 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.068 -0.514 . . . . 8.15 110.943 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.85 -48.72 10.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.027 -0.533 . . . . 6.84 112.06 -178.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -76.33 93.06 3.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.194 0.521 . . . . 6.55 110.941 -179.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 22.0 m -129.85 160.4 33.63 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.011 -0.541 . . . . 8.4 110.931 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 55.8 mtp180 -136.59 156.2 48.89 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.337 -0.392 . . . . 10.77 109.971 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 46.9 t -85.7 118.21 70.18 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 116.282 -0.417 . . . . 11.96 110.147 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo . . . . . 0 C--N 1.343 0.27 0 C-N-CA 123.034 2.49 . . . . 13.1 112.556 -179.815 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 24.6 t . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.446 -0.576 . . . . 9.99 109.446 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 21' ' ' HIS . . . . . . . . . . . . . 50.1 t60 -76.33 123.86 26.6 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.884 -0.598 . . . . 9.56 110.923 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 22' ' ' LEU . . . . . . . . . . . . . 92.7 mt -133.92 139.67 46.3 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.123 -0.489 . . . . 6.88 110.8 179.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 23' ' ' THR . . . . . . . . . . . . . 5.7 m -105.13 117.56 34.31 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.077 -0.712 . . . . 8.91 109.077 179.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 24' ' ' LEU . . . . . . . . . . . . . 31.3 mt -97.14 119.29 35.35 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.832 -0.167 . . . . 8.66 110.929 -179.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 29.1 tttt -129.36 130.47 46.09 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 123.266 0.354 . . . . 14.0 111.395 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -94.54 136.9 34.32 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.999 -0.371 . . . . 14.52 109.999 179.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 27' ' ' ILE . . . . . . . . . . . . . 9.1 pt -83.31 -38.63 14.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 112.165 0.432 . . . . 14.88 112.165 -179.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 15.0 mp0 -69.46 133.85 48.23 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.776 -0.193 . . . . 15.23 110.673 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.18 142.45 92.78 Favored Pre-proline 0 C--N 1.33 -0.28 0 O-C-N 123.157 0.286 . . . . 18.5 110.445 179.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 30' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -75.03 140.8 69.31 Favored 'Cis proline' 0 C--N 1.343 0.243 0 C-N-CA 123.341 -1.525 . . . . 17.48 112.017 -0.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -83.44 150.63 25.91 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.503 -0.317 . . . . 17.92 111.218 -179.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 17.8 p90 -150.21 147.76 28.09 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.896 -0.593 . . . . 13.5 109.812 178.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 33' ' ' SER . . . . . . . . . . . . . 15.0 m -131.93 101.16 5.32 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.427 -0.351 . . . . 12.59 110.281 179.174 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 42.7 pt -108.03 149.23 11.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.477 -0.329 . . . . 10.72 110.114 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 35' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -121.31 144.45 48.63 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.113 0.482 . . . . 10.54 111.343 -179.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 36' ' ' HIS . . . . . . . . . . . . . 16.2 t60 -159.01 157.7 31.75 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.833 -0.621 . . . . 10.1 109.921 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -112.78 113.54 25.68 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.938 0.399 . . . . 9.77 109.996 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 38' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -97.7 177.51 5.46 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.156 -0.474 . . . . 9.82 110.728 -179.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -96.25 153.84 38.91 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 116.36 -0.382 . . . . 11.97 110.07 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -66.15 -23.53 52.77 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.387 2.058 . . . . 12.89 111.387 179.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.33 -5.12 59.25 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.676 -0.693 . . . . 14.73 111.542 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -77.0 159.65 29.75 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 120.908 0.385 . . . . 11.77 110.421 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 74.1 p -115.86 174.2 6.15 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.43 -0.581 . . . . 11.41 109.43 179.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 47.7 mm -62.27 -29.99 47.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.12 0.486 . . . . 8.13 110.044 179.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 45.4 tp -62.44 -36.2 81.64 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 115.766 -0.652 . . . . 12.88 110.711 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 46' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -63.08 -36.79 84.75 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.35 -0.386 . . . . 12.59 110.704 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 60.7 mt -65.77 -42.94 93.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 109.361 -0.607 . . . . 8.04 109.361 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -61.75 -45.39 94.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.516 -0.766 . . . . 10.51 110.411 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -61.26 -34.66 75.54 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.194 -0.457 . . . . 14.34 110.664 179.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -73.39 -30.71 63.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.031 -0.531 . . . . 11.16 111.343 -179.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 30.9 mt -66.68 -27.38 67.61 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.975 0.417 . . . . 12.37 111.025 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 52' ' ' ILE . . . . . . . . . . . . . 56.2 mt -73.98 -40.94 52.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.117 -0.492 . . . . 15.35 110.542 179.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 3.7 p -67.75 -27.53 66.86 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.945 0.403 . . . . 15.02 111.208 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 54' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -86.61 8.88 20.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.357 -0.383 . . . . 14.38 110.077 179.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 58.73 36.44 24.87 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 115.569 -0.741 . . . . 18.85 112.778 179.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 41.5 mmtm -103.9 -10.32 18.26 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.518 -0.31 . . . . 14.91 111.244 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.63 169.28 21.94 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 116.418 -0.355 . . . . 15.28 110.358 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 58' ' ' SER . . . . . . . . . . . . . 41.3 t -113.44 -44.45 3.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.825 0.345 . . . . 17.75 110.934 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 59' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -125.93 154.01 43.43 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.34 -0.391 . . . . 19.98 111.257 -179.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 35.0 mm -66.27 -36.88 78.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.856 -0.611 . . . . 14.55 110.096 179.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.04 -21.95 66.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.516 -0.766 . . . . 14.99 112.066 -179.304 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -78.76 -28.53 44.79 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.332 -0.395 . . . . 16.71 110.621 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 63' ' ' ILE . . . . . . . . . . . . . 17.8 mt -78.69 108.82 12.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 113.184 0.809 . . . . 11.09 113.184 -177.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 64' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -113.9 111.2 21.33 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.059 -1.089 . . . . 10.01 108.059 178.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 86.5 mt -102.13 150.24 23.47 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.912 0.386 . . . . 5.92 111.852 -178.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -139.94 146.22 38.9 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.073 -0.512 . . . . 7.57 111.202 179.759 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 69.2 tp -137.43 90.7 2.53 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.774 -0.648 . . . . 7.44 109.792 178.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.31 73.53 0.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.786 -0.643 . . . . 13.3 111.938 179.586 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 75.71 -42.35 1.52 Allowed Glycine 0 CA--C 1.523 0.557 0 N-CA-C 114.378 0.511 . . . . 8.93 114.378 179.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.17 138.14 38.54 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.885 0.374 . . . . 9.68 111.857 -179.42 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 71' ' ' VAL . . . . . . . . . . . . . 94.3 t -85.48 130.07 36.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.044 -0.526 . . . . 7.05 109.645 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 69.3 mt -80.91 100.81 9.08 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.14 0.495 . . . . 5.9 110.465 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 73' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -82.53 153.37 25.58 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.524 -0.762 . . . . 9.1 110.374 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -56.56 -39.33 73.26 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.965 0.412 . . . . 9.91 111.187 -179.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 75' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -80.84 66.15 6.25 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.697 -0.683 . . . . 13.96 111.002 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 76' ' ' LEU . . . . . . . . . . . . . 63.8 tp -157.16 132.34 9.01 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.647 -0.706 . . . . 9.58 109.862 179.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -88.3 146.96 25.02 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.254 -0.43 . . . . 14.32 110.824 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 17.4 mt -69.37 -12.54 61.75 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.149 -0.478 . . . . 9.58 111.297 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 79' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.24 -10.11 59.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.983 0.42 . . . . 12.92 111.052 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 80' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -112.13 8.8 20.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.429 0.633 . . . . 12.44 110.41 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 14.9 mt -73.87 124.09 25.47 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.036 -0.529 . . . . 10.15 110.553 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 82' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -82.63 64.61 7.35 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.219 0.533 . . . . 12.59 110.324 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 11.9 m -105.39 137.62 34.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.784 -0.643 . . . . 11.5 111.361 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 84' ' ' THR . . . . . . . . . . . . . 19.5 p -134.89 175.35 3.7 Favored Pre-proline 0 C--N 1.321 -0.666 0 N-CA-C 108.957 -0.757 . . . . 13.96 108.957 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 85' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -53.31 -28.47 43.27 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 122.468 2.112 . . . . 14.91 112.014 178.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -80.39 -61.83 1.86 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.952 0.406 . . . . 15.11 110.566 179.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 87' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -101.36 87.47 3.22 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.054 0.454 . . . . 12.37 111.959 -179.678 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 88' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -121.1 8.99 10.42 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.817 -0.629 . . . . 10.56 110.033 179.397 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 89' ' ' THR . . . . . . . . . . . . . 2.4 m -99.21 131.94 44.88 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.627 -0.715 . . . . 9.87 111.233 -179.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 90' ' ' ILE . . . . . . . . . . . . . 46.8 mm -104.0 131.24 53.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 109.185 -0.672 . . . . 6.59 109.185 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 91' ' ' THR . . . . . . . . . . . . . 7.3 m -82.71 123.66 29.5 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.848 0.356 . . . . 8.75 110.885 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 92' ' ' VAL . . . . . . . . . . . . . 29.1 t -106.05 127.99 60.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.007 -0.542 . . . . 9.58 110.475 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 93' ' ' MET . . . . . . . . . . . . . 79.8 mtp -125.21 145.64 49.88 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.125 -0.695 . . . . 10.9 109.125 178.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 94' ' ' ILE . . . . . . . . . . . . . 74.3 mt -124.59 120.96 60.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 123.222 0.326 . . . . 13.44 110.445 179.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 95' ' ' LYS . . . . . . . . . . . . . 16.4 mmtp . . . . . 0 C--N 1.326 -0.417 0 CA-C-N 116.203 -0.453 . . . . 14.95 111.15 179.91 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.9 m . . . . . 0 C--O 1.234 0.262 0 N-CA-C 112.628 0.603 . . . . 10.77 112.628 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 61.96 53.81 2.96 Favored 'General case' 0 N--CA 1.462 0.148 0 N-CA-C 108.417 -0.957 . . . . 8.18 108.417 -178.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.5 m -71.74 167.17 20.46 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.388 -1.278 . . . . 10.11 112.262 -178.29 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 18.3 mtmm -56.1 -42.63 77.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.626 -0.716 . . . . 11.15 112.138 -179.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.8 pm0 -67.45 -35.61 79.54 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.571 0.224 . . . . 11.43 111.181 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -68.32 -43.17 78.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.106 0.479 . . . . 8.91 110.139 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 87.2 mt -69.03 -42.52 82.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.719 -0.673 . . . . 6.78 110.428 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.53 -39.24 79.59 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.272 -0.422 . . . . 7.12 110.946 179.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.89 -39.74 90.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.849 -0.614 . . . . 7.6 110.502 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 77.6 mt -68.51 -38.76 81.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.435 . . . . 5.62 110.644 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 88.1 mt -61.41 -52.97 54.93 Favored 'Isoleucine or valine' 0 C--O 1.236 0.351 0 CA-C-N 115.75 -0.659 . . . . 4.53 110.428 179.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 26.9 m -66.94 -32.5 58.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.406 -0.361 . . . . 6.96 110.973 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 32.5 t30 -61.27 -43.92 98.09 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.962 0.411 . . . . 7.61 109.901 178.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -63.71 -49.56 72.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.022 -0.535 . . . . 5.51 110.247 179.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -58.0 -43.14 86.47 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.31 -0.404 . . . . 6.35 110.909 179.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 46.8 m -61.8 -43.05 99.61 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.989 -0.55 . . . . 8.01 110.408 179.29 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.7 m -64.24 -34.3 77.79 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.221 -0.445 . . . . 8.27 110.708 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.18 -48.18 89.63 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 CA-C-N 116.221 -0.445 . . . . 8.37 111.234 179.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 22.0 m -73.69 -27.53 23.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 112.141 0.423 . . . . 9.63 112.141 -179.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -63.87 -39.12 93.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.753 0.311 . . . . 10.98 111.797 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.6 pttt -106.45 11.17 31.06 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.813 0.301 . . . . 11.09 111.813 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 34.7 tttm 53.38 61.72 3.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.983 -0.553 . . . . 12.07 112.064 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -95.45 7.25 46.78 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.937 -0.574 . . . . 9.58 110.63 179.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 16.3 tt -142.07 159.2 20.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.743 -0.662 . . . . 9.5 109.61 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.37 163.53 27.49 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.765 0.317 . . . . 10.1 110.954 -179.707 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.6 mp0 -57.93 -38.87 76.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.261 0.553 . . . . 11.9 109.812 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -57.3 -44.81 84.42 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.084 -0.962 . . . . 10.3 110.933 179.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.05 -33.77 70.03 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 121.1 -0.571 . . . . 8.75 112.255 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.91 -33.92 76.81 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.145 0.498 . . . . 8.42 110.143 179.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -61.58 -46.33 90.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.488 -0.778 . . . . 9.73 110.189 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -65.82 -35.05 79.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.876 -0.602 . . . . 8.02 110.829 179.756 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 71.1 mt -66.69 -27.74 67.89 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 116.441 -0.345 . . . . 6.89 111.415 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -60.48 -29.95 69.38 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.008 -0.542 . . . . 9.79 111.271 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.2 p -102.31 -34.56 3.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 C-N-CA 120.709 -0.396 . . . . 9.6 111.505 179.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.55 -52.6 64.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.481 -0.327 . . . . 7.62 111.459 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 43.0 ttm -62.87 -37.24 86.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.123 0.487 . . . . 8.19 110.754 -179.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -63.29 -45.7 90.17 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.614 -0.721 . . . . 11.12 110.932 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 83.5 m -64.55 -43.48 93.79 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.117 -0.492 . . . . 9.77 111.409 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 96.5 mt -59.37 -42.99 89.22 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-O 120.84 0.353 . . . . 9.06 110.916 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 18.4 m -57.81 -58.41 8.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.794 -0.639 . . . . 10.96 112.016 -179.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -65.27 -31.64 72.89 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.846 0.684 . . . . 12.89 112.846 -178.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.59 -49.35 71.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.638 0.256 . . . . 11.68 111.203 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -76.42 -15.39 59.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.892 0.377 . . . . 11.93 111.47 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.26 32.11 20.86 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.759 -0.734 . . . . 13.13 112.887 179.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 17.1 p90 -128.9 156.22 44.04 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.796 0.331 . . . . 12.01 110.611 179.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 74.3 mt-10 -96.16 142.76 27.96 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.581 -0.282 . . . . 14.85 110.704 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 43.4 ttp180 -58.71 -40.91 85.07 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.145 0.498 . . . . 12.02 110.787 179.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.9 -7.44 48.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.775 -0.648 . . . . 13.0 111.782 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -98.71 5.3 47.71 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 111.696 0.258 . . . . 12.82 111.696 -179.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 13.5 p -59.8 -36.72 67.89 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 CA-C-O 120.896 0.379 . . . . 10.88 111.173 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -65.32 -34.08 77.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.11 -0.496 . . . . 12.18 110.189 179.461 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -69.68 -48.75 40.84 Favored Glycine 0 N--CA 1.443 -0.879 0 CA-C-N 115.738 -0.665 . . . . 12.77 111.943 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 49.8 mt -60.05 -51.5 72.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.688 0.28 . . . . 11.54 110.905 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 96.2 mt -62.67 -31.91 72.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.826 0.346 . . . . 10.42 111.296 -179.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -68.48 -33.03 76.04 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 121.032 -0.604 . . . . 12.46 113.355 -179.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -94.75 -23.79 17.39 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.273 0.472 . . . . 14.49 112.273 -179.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 14.7 m -78.75 -179.58 6.6 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.921 0.391 . . . . 10.83 111.266 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -82.35 -30.36 30.43 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.059 -0.518 . . . . 10.68 111.344 -179.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -81.95 58.71 4.01 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.109 0.48 . . . . 8.55 111.572 -178.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 11.5 ptmt -98.14 115.86 29.18 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.053 0.454 . . . . 13.32 111.154 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 90.51 17.37 52.75 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.805 -0.712 . . . . 9.82 111.755 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 25.4 mm-40 -127.56 130.4 49.02 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 110.189 -0.301 . . . . 9.22 110.189 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 48.7 m80 -88.58 160.71 17.31 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.372 -0.973 . . . . 9.01 108.372 178.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 27.4 tp -57.33 -37.95 73.34 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.046 0.45 . . . . 4.77 111.131 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.78 -35.67 77.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.982 -0.554 . . . . 5.96 111.421 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -60.46 -48.46 81.66 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.032 0.444 . . . . 7.82 110.822 -179.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 53.5 mt -64.03 -47.84 88.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.788 -0.642 . . . . 5.79 110.595 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.3 mp -63.12 -33.74 76.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.876 -0.602 . . . . 5.97 111.575 -179.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -74.09 -39.22 63.56 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.315 -0.402 . . . . 9.81 110.756 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 42.2 m -65.42 -34.78 79.1 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.19 0.519 . . . . 7.98 110.049 179.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -68.86 130.95 44.27 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.748 -0.66 . . . . 7.06 110.844 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 15.4 m -119.57 101.02 7.63 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.942 -0.572 . . . . 9.21 110.21 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.13 118.13 30.18 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.069 -0.514 . . . . 9.55 111.248 -179.024 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 17.5 t -97.53 107.19 37.76 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 116.108 -0.496 . . . . 12.15 109.783 179.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -75.67 111.65 3.34 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.726 2.284 . . . . 12.82 111.417 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -128.97 74.2 1.56 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.981 0.419 . . . . 14.19 110.516 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.1 p . . . . . 0 C--O 1.247 0.951 0 CA-C-N 116.006 -0.543 . . . . 15.67 110.593 179.952 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' MET . . . . . 0.455 ' H2 ' ' CD ' ' B' ' 73' ' ' GLU . 42.9 ttp . . . . . 0 N--CA 1.485 1.325 0 CA-C-O 120.829 0.347 . . . . 11.23 111.491 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 22.3 mmt -94.54 29.89 2.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.549 -0.296 . . . . 13.11 111.291 -179.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 11.3 m 64.54 104.65 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.236 0 O-C-N 123.681 0.613 . . . . 11.68 111.429 -179.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.8 109.96 1.6 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.811 -0.631 . . . . 8.3 111.339 -179.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -86.74 160.31 18.86 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.035 -0.53 . . . . 9.28 110.191 179.642 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -52.06 -44.17 64.16 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 113.087 0.773 . . . . 8.73 113.087 -178.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 3.9 pm0 -64.85 -37.01 86.19 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.904 0.383 . . . . 9.58 111.423 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -71.15 -38.42 72.21 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.141 -0.481 . . . . 8.61 110.345 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 79.3 mt -67.55 -45.68 84.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.923 -0.581 . . . . 5.19 109.531 178.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.65 -36.24 78.21 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.847 -0.615 . . . . 4.42 110.681 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.15 -42.61 95.25 Favored 'General case' 0 CA--C 1.522 -0.134 0 CA-C-N 116.028 -0.533 . . . . 5.79 110.515 179.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 29.5 mt -69.61 -33.33 72.51 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.323 -0.399 . . . . 4.52 110.518 179.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 98.4 mt -64.68 -52.24 57.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.912 -0.585 . . . . 4.37 110.313 179.36 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 30.6 m -66.81 -33.52 63.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-O 120.758 0.313 . . . . 6.25 110.648 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -63.64 -43.1 97.81 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.279 -0.637 . . . . 7.24 109.279 178.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -60.96 -47.45 86.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.495 -0.775 . . . . 7.41 110.448 179.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 17.5 m-30 -61.89 -39.19 91.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.045 -0.525 . . . . 8.36 110.159 179.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 30.9 m -64.87 -36.95 86.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.032 -0.531 . . . . 9.5 110.026 178.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 14.4 m -65.33 -27.81 68.86 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.167 0.508 . . . . 9.77 110.244 179.243 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 97.4 mt -78.59 -42.13 25.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.724 -0.671 . . . . 11.09 110.789 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 31.1 m -77.91 -25.02 14.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 113.147 0.795 . . . . 12.38 113.147 -178.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -67.18 -49.0 66.25 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.176 0.436 . . . . 13.19 112.176 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 20.4 pttm -96.09 4.22 52.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.833 0.349 . . . . 13.7 111.892 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 23.3 ttmm 61.93 82.9 0.16 Allowed 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 113.888 1.07 . . . . 16.11 113.888 178.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -111.15 5.96 20.42 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.378 0.609 . . . . 12.56 109.495 178.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 10.7 tp -140.97 153.13 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.567 -0.742 . . . . 13.67 110.09 -179.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 7.0 p -62.38 159.39 15.45 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.845 0.355 . . . . 15.14 111.115 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 24.1 mp0 -57.38 -34.03 68.43 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.138 -0.483 . . . . 16.66 112.101 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -75.55 -37.69 59.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.685 0.278 . . . . 15.52 110.89 179.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.36 -35.37 82.05 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.908 -0.663 . . . . 13.62 111.55 179.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.57 -34.14 77.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.746 0.307 . . . . 12.71 111.007 179.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.11 -49.31 72.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 13.38 109.943 179.725 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 7.4 m -61.76 -39.76 92.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.599 -0.728 . . . . 11.95 110.67 179.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 41.5 mt -66.92 -38.99 87.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.417 -0.356 . . . . 10.13 110.838 179.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -60.02 -54.34 47.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 11.27 110.854 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 10.0 p -65.83 -32.96 60.46 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 CA-C-N 116.327 -0.397 . . . . 10.04 111.295 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.95 -39.79 93.34 Favored 'General case' 0 N--CA 1.456 -0.128 0 N-CA-C 109.675 -0.491 . . . . 8.58 109.675 178.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 64.3 mtm -63.6 -38.48 91.3 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.793 -0.64 . . . . 7.93 109.803 179.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.06 -41.35 98.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.745 -0.661 . . . . 9.48 110.229 179.304 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 33.7 m -59.68 -44.72 93.5 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.635 -0.711 . . . . 8.46 110.142 179.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 50.6 mt -67.07 -36.89 78.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.829 -0.623 . . . . 6.23 110.268 179.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 29.9 m -61.25 -58.0 10.09 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 115.799 -0.637 . . . . 7.39 112.338 -179.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.74 -26.18 66.01 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.339 0.496 . . . . 8.81 112.339 -178.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.42 -41.6 93.39 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.797 0.332 . . . . 7.38 110.874 179.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -86.5 -23.0 26.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.894 0.378 . . . . 8.09 111.331 179.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.52 26.58 7.6 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.955 -0.64 . . . . 9.43 113.475 179.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 21.2 p90 -128.01 179.63 5.47 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 117.042 0.421 . . . . 8.7 111.38 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -125.34 152.64 44.47 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.221 -0.445 . . . . 11.16 109.801 179.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 18.1 ttp-105 -62.8 -26.01 68.52 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.219 0.533 . . . . 11.12 111.249 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -79.27 5.23 12.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.946 -0.57 . . . . 11.8 112.013 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -110.31 2.52 19.18 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.867 0.365 . . . . 10.53 111.009 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 11.3 p -58.31 -41.78 82.09 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 CA-C-N 116.202 -0.454 . . . . 9.19 111.84 -179.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.4 -34.9 79.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.053 0.454 . . . . 10.94 110.683 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.16 -37.11 72.12 Favored Glycine 0 N--CA 1.449 -0.463 0 CA-C-N 115.811 -0.631 . . . . 11.05 111.938 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 75.4 mt -69.45 -52.29 34.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.832 0.349 . . . . 9.74 110.794 179.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 83.2 mt -61.83 -32.98 73.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.042 -0.526 . . . . 9.17 111.014 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -65.92 -22.93 70.76 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 121.094 -0.574 . . . . 11.56 112.376 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -96.72 -53.96 3.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.847 0.356 . . . . 12.67 111.187 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 46.8 m -61.55 166.27 4.27 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.781 -0.645 . . . . 9.82 112.707 -178.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.455 ' CD ' ' H2 ' ' B' ' 14' ' ' MET . 13.1 pt-20 -69.98 -23.67 63.19 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.734 -0.666 . . . . 10.24 111.351 -179.694 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -78.05 81.08 4.46 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.809 -0.632 . . . . 7.84 111.078 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -135.85 139.34 43.34 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.995 -0.548 . . . . 11.89 109.817 179.129 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 80.05 -1.4 80.03 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.633 -0.794 . . . . 8.65 112.319 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 23.7 mm-40 -133.26 134.57 44.12 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.505 -0.554 . . . . 7.81 109.505 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 70.7 m80 -89.88 172.25 9.02 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.81 -0.441 . . . . 8.35 109.81 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 23.8 tp -57.98 -39.65 78.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.974 0.416 . . . . 4.32 110.915 179.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.29 -37.12 82.89 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.112 -0.494 . . . . 5.79 111.344 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -63.84 -46.79 83.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.614 -0.721 . . . . 6.75 111.06 -179.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 77.2 mt -70.48 -36.82 67.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.649 -0.705 . . . . 4.76 111.845 -179.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 3.5 mp -67.05 -39.12 86.86 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.477 0.547 . . . . 5.48 112.477 -179.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -79.72 -5.73 55.81 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.601 0.593 . . . . 8.15 112.601 -179.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.9 p -101.97 -49.1 4.04 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.982 0.42 . . . . 6.84 110.427 178.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -87.02 61.0 6.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.358 0.599 . . . . 6.55 110.544 179.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 5.4 m -89.0 142.42 27.65 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.697 -0.683 . . . . 8.4 111.154 -179.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 37.4 mmm-85 -103.93 148.93 25.59 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.08 -0.509 . . . . 10.77 109.711 179.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 21.4 t -98.79 108.23 47.58 Favored Pre-proline 0 C--N 1.323 -0.564 0 N-CA-C 109.701 -0.481 . . . . 11.96 109.701 179.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo . . . . . 0 N--CA 1.464 -0.264 0 C-N-CA 122.974 2.449 . . . . 13.1 111.769 -179.629 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 40.5 t . . . . . 0 C--O 1.232 0.136 0 CA-C-O 121.289 0.566 . . . . 9.99 109.648 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 21' ' ' HIS . . . . . . . . . . . . . 27.7 t60 -80.16 115.63 19.83 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.523 -0.762 . . . . 9.56 110.456 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 22' ' ' LEU . . . . . . . . . . . . . 95.1 mt -125.08 145.22 50.03 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.871 0.367 . . . . 6.88 111.827 -179.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 23' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -101.45 141.65 34.0 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.957 -0.757 . . . . 8.91 108.957 178.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 24' ' ' LEU . . . . . . . . . . . . . 49.7 mt -124.82 117.48 24.24 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 110.316 -0.253 . . . . 8.66 110.316 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 13.6 ptmt -130.72 138.93 50.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.985 0.421 . . . . 14.0 112.083 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 49.6 tttt -94.08 148.24 22.36 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.973 -0.558 . . . . 14.52 109.555 179.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 27' ' ' ILE . . . . . . . . . . . . . 12.2 pt -92.16 -45.5 14.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 112.392 0.515 . . . . 14.88 112.392 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -79.51 144.68 33.74 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.632 -0.258 . . . . 15.23 111.211 -179.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.11 139.98 82.65 Favored Pre-proline 0 C--N 1.326 -0.449 0 N-CA-C 110.014 -0.365 . . . . 18.5 110.014 179.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 30' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -76.56 144.81 80.15 Favored 'Cis proline' 0 C--N 1.344 0.332 0 C-N-CA 123.476 -1.468 . . . . 17.48 111.45 -0.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -97.68 150.59 21.02 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.07 -0.514 . . . . 17.92 110.916 -179.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 47.8 p90 -138.77 151.99 47.55 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.598 -0.728 . . . . 13.5 109.088 178.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 33' ' ' SER . . . . . . . . . . . . . 49.7 m -141.7 96.47 2.98 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.075 0.464 . . . . 12.59 110.084 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 39.3 pt -114.1 164.38 10.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.892 -0.595 . . . . 10.72 111.051 -179.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 35' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -133.26 142.5 48.55 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.257 -0.429 . . . . 10.54 110.437 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 36' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -152.6 156.8 39.99 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.793 0.33 . . . . 10.1 110.707 179.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -104.15 120.63 41.53 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.966 -0.561 . . . . 9.77 110.179 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 38' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -113.14 -179.47 3.65 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.578 -0.527 . . . . 9.82 109.578 179.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.72 158.17 34.78 Favored Pre-proline 0 C--N 1.321 -0.646 0 N-CA-C 109.814 -0.439 . . . . 11.97 109.814 179.636 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -66.12 -15.7 49.42 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.408 2.072 . . . . 12.89 111.571 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -90.28 -4.13 57.35 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.56 -0.746 . . . . 14.73 110.813 179.446 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -78.99 150.06 32.07 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 109.543 -0.54 . . . . 11.77 109.543 179.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 58.0 p -111.09 171.07 7.69 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 110.044 -0.354 . . . . 11.41 110.044 179.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 41.5 mm -60.18 -30.63 46.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.313 0.578 . . . . 8.13 110.085 178.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.31 -36.65 84.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.614 -0.721 . . . . 12.88 110.554 179.644 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 46' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -64.53 -37.98 89.43 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.294 -0.412 . . . . 12.59 110.917 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 63.8 mt -63.49 -41.74 93.74 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 N-CA-C 109.188 -0.671 . . . . 8.04 109.188 178.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -63.04 -45.6 91.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.374 -0.83 . . . . 10.51 110.211 179.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -59.86 -39.86 86.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.876 -0.602 . . . . 14.34 110.134 179.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -65.97 -38.15 87.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.775 -0.648 . . . . 11.16 110.861 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 43.1 mt -62.59 -33.87 75.84 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.446 -0.343 . . . . 12.37 111.164 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 52' ' ' ILE . . . . . . . . . . . . . 78.8 mt -64.87 -44.52 96.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.32 -0.4 . . . . 15.35 109.938 179.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.88 -24.13 67.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 15.02 111.589 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 54' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -87.43 7.49 28.91 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 110.099 -0.334 . . . . 14.38 110.099 179.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 62.87 28.17 16.28 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.718 -0.674 . . . . 18.85 111.427 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -102.94 -6.47 22.39 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.115 0.413 . . . . 14.91 112.115 -179.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -147.9 162.11 39.95 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.812 0.339 . . . . 15.28 111.698 -179.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 58' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -113.26 -42.37 3.52 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.859 -0.61 . . . . 17.75 109.63 179.418 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 59' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -127.35 171.55 11.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.147 -0.479 . . . . 19.98 110.985 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 37.5 mm -79.72 -38.72 19.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.06 -0.518 . . . . 14.55 111.593 -179.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 1.9 p -66.14 -32.35 73.75 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.237 0.458 . . . . 14.99 112.237 -179.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 69.0 mt-10 -60.22 -30.13 69.19 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.333 -0.394 . . . . 16.71 111.364 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 63' ' ' ILE . . . . . . . . . . . . . 24.1 mt -84.24 97.8 5.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 112.362 0.504 . . . . 11.09 112.362 -178.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 64' ' ' LYS . . . . . . . . . . . . . 17.6 ttmt -98.23 89.08 4.36 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.502 -0.925 . . . . 10.01 108.502 178.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 81.6 mt -75.71 134.91 40.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 5.92 111.511 -179.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 2.6 mt -131.57 150.62 52.08 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.215 -0.448 . . . . 7.57 111.364 -179.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 65.5 tp -137.16 101.38 4.53 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.794 -0.639 . . . . 7.44 109.472 178.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 20.7 mmmt 60.55 24.78 14.45 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 115.97 -0.559 . . . . 13.3 111.989 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 111.8 -29.65 8.37 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.986 -0.626 . . . . 8.93 112.934 179.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.31 132.52 38.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 122.943 -0.151 . . . . 9.68 110.962 -179.49 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 71' ' ' VAL . . . . . . . . . . . . . 42.0 t -81.1 125.51 39.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.209 0.528 . . . . 7.05 109.946 179.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 48.4 mt -84.0 104.47 14.1 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.138 0.494 . . . . 5.9 111.046 -179.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 73' ' ' HIS . . . . . . . . . . . . . 24.0 m-70 -72.38 150.97 42.96 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.73 -0.668 . . . . 9.1 110.56 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -54.5 -35.44 63.14 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 113.019 0.748 . . . . 9.91 113.019 -178.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 75' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -84.19 23.11 1.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 113.041 0.756 . . . . 13.96 113.041 -178.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 76' ' ' LEU . . . . . . . . . . . . . 23.9 tp -105.1 132.54 51.2 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 110.132 -0.321 . . . . 9.58 110.132 179.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -88.71 151.49 22.39 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.233 -0.439 . . . . 14.32 109.966 179.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 13.0 mt -64.83 -17.77 64.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.516 -0.311 . . . . 9.58 111.77 -179.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 79' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.73 -17.96 61.05 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.022 0.439 . . . . 12.92 111.018 179.78 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 80' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -96.02 -3.94 44.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.164 0.507 . . . . 12.44 110.218 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 19.2 mt -71.19 129.37 38.74 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.026 -0.533 . . . . 10.15 110.911 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 82' ' ' LYS . . . . . . . . . . . . . 39.1 mmtm -84.95 59.02 5.35 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.591 -0.522 . . . . 12.59 109.591 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 12.0 m -94.37 141.56 14.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.797 -0.638 . . . . 11.5 111.576 -179.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 84' ' ' THR . . . . . . . . . . . . . 69.5 p -135.76 174.36 4.63 Favored Pre-proline 0 C--N 1.322 -0.628 0 N-CA-C 108.364 -0.976 . . . . 13.96 108.364 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 85' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_exo -60.03 -23.91 74.78 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.107 1.871 . . . . 14.91 110.594 178.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -83.26 -55.69 4.2 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.506 -0.77 . . . . 15.11 109.905 178.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 87' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -106.75 93.86 4.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.461 0.648 . . . . 12.37 111.834 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 88' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.66 8.07 8.24 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.678 -0.692 . . . . 10.56 109.702 179.298 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 89' ' ' THR . . . . . . . . . . . . . 5.4 m -100.36 128.02 46.53 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.486 -0.779 . . . . 9.87 111.411 -178.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 90' ' ' ILE . . . . . . . . . . . . . 39.2 mm -99.08 138.25 24.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.85 -0.613 . . . . 6.59 109.435 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 91' ' ' THR . . . . . . . . . . . . . 1.9 m -86.82 122.42 30.67 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.836 0.351 . . . . 8.75 110.096 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 92' ' ' VAL . . . . . . . . . . . . . 18.6 t -106.3 101.83 13.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.434 -0.348 . . . . 9.58 111.038 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 93' ' ' MET . . . . . . . . . . . . . 13.3 ttt -96.0 125.87 40.84 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.42 -0.956 . . . . 10.9 108.42 178.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 94' ' ' ILE . . . . . . . . . . . . . 66.9 mt -113.08 123.23 68.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 120.873 0.368 . . . . 13.44 111.124 -179.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 95' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.321 -0.667 0 CA-C-N 115.801 -0.636 . . . . 14.95 109.347 179.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.0 m . . . . . 0 C--O 1.231 0.123 0 N-CA-C 112.008 0.373 . . . . 10.77 112.008 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 60.8 74.3 0.45 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 121.462 0.649 . . . . 8.18 109.983 -178.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.5 m -72.38 159.1 34.56 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.299 -0.864 . . . . 10.11 111.7 -178.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.5 mtmm -54.33 -44.89 72.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.848 -0.615 . . . . 11.15 111.538 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -65.46 -34.53 78.5 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.351 -0.386 . . . . 11.43 111.468 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -68.54 -45.87 71.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.059 0.457 . . . . 8.91 110.062 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 75.9 mt -67.96 -43.75 85.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.62 -0.718 . . . . 6.78 110.603 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.85 -36.99 78.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 7.12 110.733 179.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.39 -40.17 89.94 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.994 -0.548 . . . . 7.6 110.499 179.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.2 mt -71.38 -36.57 71.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.938 0.399 . . . . 5.62 110.459 179.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 97.3 mt -61.71 -52.6 58.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.792 -0.64 . . . . 4.53 110.443 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 31.4 m -67.82 -29.64 45.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.443 -0.344 . . . . 6.96 110.791 179.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 45.6 t-20 -63.29 -46.82 85.01 Favored 'General case' 0 CA--C 1.519 -0.25 0 N-CA-C 108.717 -0.845 . . . . 7.61 108.717 178.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 19.1 t80 -60.28 -45.81 92.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.884 -0.598 . . . . 5.51 110.381 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.0 m-30 -58.93 -46.35 88.2 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.151 -0.477 . . . . 6.35 110.562 179.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.9 m -63.2 -42.62 99.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.922 -0.581 . . . . 8.01 110.356 179.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 49.0 m -60.64 -37.17 80.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.313 -0.403 . . . . 8.27 111.192 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 95.3 mt -64.71 -43.28 96.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.492 -0.322 . . . . 8.37 111.1 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 20.9 m -76.64 -23.71 15.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.723 0.296 . . . . 9.63 111.717 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -66.13 -40.83 90.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.217 0.532 . . . . 10.98 110.496 179.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 35.6 pttt -93.42 -4.89 50.54 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.768 -0.651 . . . . 11.09 110.125 179.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.492 ' HZ2' ' CD ' ' A' ' 41' ' ' GLU . 31.6 tttm 58.14 48.85 12.27 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.117 -0.947 . . . . 12.07 111.258 -179.211 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -98.12 27.78 4.4 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.898 -0.592 . . . . 9.58 110.816 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 17.8 tt -139.79 151.97 22.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.75 -0.659 . . . . 9.5 110.184 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.1 m -69.47 154.57 41.81 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.317 -0.402 . . . . 10.1 110.853 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.492 ' CD ' ' HZ2' ' A' ' 37' ' ' LYS . 0.2 OUTLIER -54.38 -41.34 69.09 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.045 -0.525 . . . . 11.9 111.658 -179.771 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -65.22 -43.44 91.48 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.13 -0.486 . . . . 10.3 111.091 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.76 -31.41 70.31 Favored Glycine 0 C--N 1.331 0.287 0 CA-C-N 116.009 -0.541 . . . . 8.75 112.318 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.6 -39.36 93.52 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.82 -0.437 . . . . 8.42 109.82 179.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -65.15 -35.62 81.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.819 -0.628 . . . . 9.73 110.031 179.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.2 m -65.57 -51.01 62.98 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 115.933 -0.576 . . . . 8.02 110.45 179.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 32.8 mt -63.27 -33.67 76.01 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.412 -0.358 . . . . 6.89 110.258 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -61.54 -43.39 98.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.634 -0.712 . . . . 9.79 111.11 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.2 p -81.87 -37.13 14.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 C-N-CA 121.01 -0.276 . . . . 9.6 111.616 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.32 -40.86 95.78 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.688 0.28 . . . . 7.62 110.933 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 44.4 ttm -58.82 -36.55 74.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 8.19 110.88 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -60.08 -54.8 41.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.854 -0.612 . . . . 11.12 110.745 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 4.9 m -63.4 -36.98 85.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.007 -0.542 . . . . 9.77 111.983 -179.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 86.9 mt -64.88 -43.64 96.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.819 0.342 . . . . 9.06 111.145 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 37.6 m -54.09 -58.72 6.28 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.0 -0.545 . . . . 10.96 112.442 -179.074 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -66.01 -29.57 69.97 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.788 0.662 . . . . 12.89 112.788 -178.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.4 -42.56 96.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.887 0.375 . . . . 11.68 111.372 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -91.26 -3.21 57.11 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.306 -0.407 . . . . 11.93 111.509 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 74.73 45.95 20.07 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.834 -0.698 . . . . 13.13 113.094 179.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -144.71 146.62 32.3 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.996 -0.372 . . . . 12.01 109.996 179.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -92.29 146.43 23.71 Favored 'General case' 0 C--N 1.317 -0.829 0 C-N-CA 120.865 -0.334 . . . . 14.85 110.378 179.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 45.1 ttp180 -55.6 -40.58 72.26 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.168 0.509 . . . . 12.02 110.36 179.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 54.6 mp0 -68.44 -12.99 61.98 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.636 -0.711 . . . . 13.0 112.335 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -97.01 -2.05 44.24 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.286 0.476 . . . . 12.82 112.286 -178.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.5 p -56.43 -39.96 64.46 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 N-CA-C 112.485 0.55 . . . . 10.88 112.485 -179.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.89 -44.04 97.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.332 -0.394 . . . . 12.18 111.123 -179.675 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.58 -43.69 75.49 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.913 -0.66 . . . . 12.77 111.53 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 97.3 mt -59.8 -50.32 80.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 120.422 0.153 . . . . 11.54 110.95 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 48.7 mt -57.66 -46.93 83.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.736 0.303 . . . . 10.42 111.195 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -61.52 -31.54 78.0 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 121.156 -0.545 . . . . 12.46 113.746 -179.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.51 6.11 48.6 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.514 0.561 . . . . 14.49 112.514 -179.402 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 50.4 m -110.11 -174.25 2.44 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.99 0.424 . . . . 10.83 111.825 -179.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -72.21 -40.35 67.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.666 -0.697 . . . . 10.68 111.061 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -89.01 92.77 9.36 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.898 -0.592 . . . . 8.55 111.216 -179.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -133.82 127.03 31.81 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.13 -0.486 . . . . 13.32 111.22 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 89.74 1.78 76.61 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.793 -0.718 . . . . 9.82 112.937 179.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -130.37 162.9 28.06 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.648 -0.501 . . . . 9.22 109.648 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -112.56 168.6 9.52 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.943 -0.392 . . . . 9.01 109.943 179.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 26.1 tp -62.95 -31.54 72.66 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.282 -0.417 . . . . 4.77 111.323 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.57 -59.93 3.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 5.96 112.099 -179.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -56.99 -43.24 81.52 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.614 0.598 . . . . 7.82 112.614 -179.228 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 83.5 mt -64.38 -50.93 74.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.718 0.294 . . . . 5.79 111.109 179.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.5 tp -60.96 -39.34 89.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 5.97 111.865 -179.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -71.26 -27.74 63.66 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.12 0.415 . . . . 9.81 112.12 -179.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 54.5 m -68.39 -26.39 65.54 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.1 0.476 . . . . 7.98 110.732 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -76.4 135.78 39.46 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.948 -0.569 . . . . 7.06 110.939 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 37.2 m -109.45 120.45 42.55 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.773 -0.649 . . . . 9.21 109.608 179.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -122.42 93.81 4.09 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.027 0.442 . . . . 9.55 110.825 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.5 t -85.72 129.71 53.67 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 115.806 -0.634 . . . . 12.15 109.956 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -78.68 105.79 2.01 Favored 'Trans proline' 0 N--CA 1.461 -0.428 0 C-N-CA 122.987 2.458 . . . . 12.82 111.922 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -89.52 43.72 1.16 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.503 0.668 . . . . 14.19 109.975 179.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 C--O 1.247 0.965 0 CA-C-N 115.284 -0.871 . . . . 15.67 110.038 -179.776 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 60.5 ttp . . . . . 0 N--CA 1.48 1.065 0 CA-C-O 120.816 0.341 . . . . 11.23 110.63 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 36.1 ttm -95.52 41.34 1.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.028 0.442 . . . . 13.11 110.992 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 6.9 m 63.52 86.68 0.12 Allowed 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 115.465 -0.789 . . . . 11.68 111.495 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.72 115.5 4.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.586 -0.734 . . . . 8.3 111.623 -179.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 3.2 m -82.27 170.33 15.51 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.899 -0.591 . . . . 9.28 110.537 179.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 49.7 mttp -54.34 -48.99 70.79 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.415 0.524 . . . . 8.73 112.415 -179.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 6.0 pm0 -64.28 -36.76 85.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.716 0.293 . . . . 9.58 111.724 -179.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -66.47 -41.76 88.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.002 0.43 . . . . 8.61 110.24 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 96.4 mt -70.12 -42.52 79.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.914 -0.584 . . . . 5.19 109.733 179.078 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.43 -32.19 72.14 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.883 -0.599 . . . . 4.42 110.717 179.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.09 -41.5 92.63 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.138 -0.483 . . . . 5.79 110.376 179.178 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 17.5 mt -72.15 -31.93 66.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.164 -0.471 . . . . 4.52 110.434 179.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 92.6 mt -65.98 -51.06 65.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.865 -0.607 . . . . 4.37 110.424 179.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 34.5 m -67.21 -32.79 59.18 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-N 116.409 -0.36 . . . . 6.25 110.554 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -65.36 -43.89 89.36 Favored 'General case' 0 CA--C 1.52 -0.181 0 N-CA-C 109.209 -0.663 . . . . 7.24 109.209 178.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -60.23 -47.63 85.14 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.471 -0.786 . . . . 7.41 110.586 179.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 18.6 m-30 -59.81 -42.99 94.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 8.36 110.603 179.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 28.9 m -64.07 -37.41 87.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.001 -0.545 . . . . 9.5 110.83 179.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 19.8 m -65.29 -20.03 66.23 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 121.198 0.523 . . . . 9.77 111.19 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 71.3 mt -86.51 -41.07 14.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.965 0.412 . . . . 11.09 110.402 179.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 31.9 m -77.03 -35.37 23.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 113.214 0.82 . . . . 12.38 113.214 -178.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -57.46 -40.49 78.63 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 112.609 0.596 . . . . 13.19 112.609 -179.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -101.24 6.08 42.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.602 0.239 . . . . 13.7 111.46 -179.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 21.3 ttmm 54.82 66.26 1.28 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.538 0.685 . . . . 16.11 111.734 -179.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -97.82 -0.75 44.6 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.577 -0.738 . . . . 12.56 109.732 179.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 20.7 tt -133.15 159.92 42.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.386 -0.824 . . . . 13.67 109.852 -179.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 29.8 p -67.76 160.62 27.81 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.781 0.324 . . . . 15.14 110.653 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 9.4 mp0 -58.49 -39.66 80.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.393 -0.367 . . . . 16.66 110.947 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.73 -42.78 99.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 15.52 110.192 179.455 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.77 -40.54 64.78 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.688 -0.768 . . . . 13.62 111.487 179.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.75 -43.82 98.1 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.784 0.326 . . . . 12.71 110.776 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.23 -42.3 98.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.086 -0.506 . . . . 13.38 110.274 179.321 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 9.1 m -66.25 -42.6 88.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.829 -0.623 . . . . 11.95 110.834 179.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 24.0 mt -65.27 -33.94 77.17 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.214 -0.448 . . . . 10.13 110.875 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -58.1 -50.91 71.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.931 -0.577 . . . . 11.27 110.353 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 40.8 t -67.07 -44.25 88.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.016 -0.538 . . . . 10.04 110.818 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.74 -44.15 93.93 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.101 -0.499 . . . . 8.58 111.346 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 30.4 ttm -60.64 -44.54 96.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 7.93 110.787 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.506 ' CG ' ' HZ3' ' C' ' 68' ' ' LYS . 1.0 OUTLIER -63.57 -42.86 98.31 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.65 -0.705 . . . . 9.48 110.279 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 3.8 t -62.05 -40.63 96.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.454 -0.794 . . . . 8.46 110.909 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.21 -35.71 70.55 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-O 121.13 0.491 . . . . 6.23 110.525 179.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 14.3 m -61.54 -50.13 73.89 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.64 -0.709 . . . . 7.39 111.38 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -74.55 -16.2 60.83 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.241 0.46 . . . . 8.81 112.241 -179.434 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.84 -45.23 59.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.332 -0.394 . . . . 7.38 111.215 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -88.28 -19.12 27.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 8.09 111.887 -179.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 93.46 43.83 3.88 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.884 -0.674 . . . . 9.43 113.631 178.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 40.0 p90 -136.37 150.13 48.67 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.661 0.267 . . . . 8.7 110.364 179.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.93 140.84 36.53 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.96 0.409 . . . . 11.16 110.771 -179.599 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 61.0 ttt180 -63.1 -45.59 91.35 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.39 -0.823 . . . . 11.12 111.204 -179.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -85.74 15.53 4.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.863 0.364 . . . . 11.8 111.86 -179.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -115.42 6.41 14.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.026 0.441 . . . . 10.53 110.48 179.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 11.3 p -59.51 -27.1 36.42 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 CA-C-N 115.711 -0.677 . . . . 9.19 111.545 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.05 -43.55 95.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 10.94 110.876 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -66.94 -25.08 73.21 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 121.049 -0.596 . . . . 11.05 112.013 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 57.2 mt -79.02 -53.84 12.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 110.007 -0.368 . . . . 9.74 110.007 179.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 74.7 mt -61.95 -36.76 82.38 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.255 -0.429 . . . . 9.17 111.663 -179.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -70.98 -27.12 72.71 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.808 -0.711 . . . . 11.56 112.244 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 3.0 ttmp? -85.16 -48.19 9.39 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.762 0.315 . . . . 12.67 110.463 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 49.0 m -68.58 169.21 11.44 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.028 -0.533 . . . . 9.82 111.253 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -68.27 -17.58 64.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.369 -0.378 . . . . 10.24 111.784 -179.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -79.3 48.45 0.89 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.015 0.436 . . . . 7.84 111.782 -179.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.65 124.03 38.44 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.919 0.39 . . . . 11.89 110.615 179.7 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 74.99 29.15 61.2 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.976 -0.63 . . . . 8.65 111.985 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 20.7 mm-40 -140.38 161.4 37.79 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.653 -0.499 . . . . 7.81 109.653 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 5.7 m80 -127.51 165.79 19.19 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.972 -0.381 . . . . 8.35 109.972 179.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 18.8 tp -62.5 -32.74 73.7 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.095 -0.502 . . . . 4.32 111.655 -179.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.17 -59.08 3.74 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.381 0.512 . . . . 5.79 112.381 -178.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -57.76 -47.1 83.44 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 112.678 0.621 . . . . 6.75 112.678 -179.317 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 82.0 mt -60.39 -46.85 94.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.649 -0.25 . . . . 4.76 111.333 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 1.4 tp -62.24 -40.33 95.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.707 0.289 . . . . 5.48 111.589 -179.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -67.74 -39.77 84.21 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.699 0.285 . . . . 8.15 111.441 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 91.8 p -68.24 -40.42 81.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.734 0.302 . . . . 6.84 111.764 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -86.23 77.44 9.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.199 0.523 . . . . 6.55 110.532 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 1.3 m -92.79 154.52 18.23 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.917 -0.583 . . . . 8.4 111.099 -179.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 15.5 mmm-85 -134.28 126.72 30.36 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.196 -0.456 . . . . 10.77 110.004 179.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 38.6 t -84.17 112.17 39.15 Favored Pre-proline 0 C--N 1.326 -0.416 0 N-CA-C 110.045 -0.354 . . . . 11.96 110.045 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo . . . . . 0 N--CA 1.46 -0.493 0 C-N-CA 122.553 2.169 . . . . 13.1 111.92 -179.84 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 17.6 t . . . . . 0 C--O 1.232 0.165 0 CA-C-O 121.173 0.511 . . . . 9.99 110.221 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 21' ' ' HIS . . . . . . . . . . . . . 17.6 t60 -87.9 102.81 15.07 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.015 -0.539 . . . . 9.56 110.395 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 22' ' ' LEU . . . . . . . . . . . . . 95.3 mt -111.44 144.99 39.76 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.425 -0.352 . . . . 6.88 111.049 -179.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 23' ' ' THR . . . . . . . . . . . . . 4.0 m -101.57 116.18 32.19 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.847 -0.615 . . . . 8.91 109.973 179.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 24' ' ' LEU . . . . . . . . . . . . . 50.4 mt -97.69 117.12 31.26 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 110.12 -0.326 . . . . 8.66 110.12 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 18.2 tptm -136.31 125.32 24.33 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.281 -0.418 . . . . 14.0 111.411 -179.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 8.5 ttpp -85.59 120.45 27.05 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.195 -0.668 . . . . 14.52 109.195 178.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 27' ' ' ILE . . . . . . . . . . . . . 42.2 pt -73.96 -10.63 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 113.11 0.781 . . . . 14.88 113.11 -178.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -125.72 149.94 48.1 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 121.287 -0.165 . . . . 15.23 110.741 -179.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.9 133.61 48.29 Favored Pre-proline 0 N--CA 1.466 0.369 0 N-CA-C 113.029 0.751 . . . . 18.5 113.029 -178.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 30' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -79.02 134.79 33.76 Favored 'Cis proline' 0 C--N 1.346 0.397 0 C-N-CA 123.451 -1.479 . . . . 17.48 111.35 -0.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -88.44 113.79 24.39 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.141 0.496 . . . . 17.92 111.3 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 50.9 p90 -127.77 149.91 50.04 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.913 -0.585 . . . . 13.5 110.632 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 33' ' ' SER . . . . . . . . . . . . . 73.6 m -124.69 113.24 17.73 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.636 -0.505 . . . . 12.59 109.636 179.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 45.9 pt -129.41 142.32 44.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.78 0.324 . . . . 10.72 110.822 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 35' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -121.12 139.02 53.9 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.319 -0.4 . . . . 10.54 110.62 179.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 36' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -152.85 141.62 21.04 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.254 -0.43 . . . . 10.1 110.247 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -88.85 111.39 22.0 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.004 -0.543 . . . . 9.77 110.404 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 38' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -100.99 172.95 6.71 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.589 -0.523 . . . . 9.82 109.589 179.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 59.7 p -97.64 153.9 38.12 Favored Pre-proline 0 C--N 1.321 -0.661 0 N-CA-C 109.389 -0.597 . . . . 11.97 109.389 179.401 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_endo -63.69 -22.07 69.9 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.026 1.817 . . . . 12.89 110.531 179.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.92 -6.55 59.2 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.095 -0.957 . . . . 14.73 111.133 179.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -75.3 156.48 35.55 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 116.301 -0.409 . . . . 11.77 110.415 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 40.3 p -114.76 169.63 8.93 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.247 -0.433 . . . . 11.41 109.908 179.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 45.7 mm -63.08 -30.08 48.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.337 -0.616 . . . . 8.13 109.337 178.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 36.3 tp -60.3 -45.27 93.98 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.692 -0.685 . . . . 12.88 110.085 178.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 46' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -61.49 -38.11 86.1 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.196 -0.456 . . . . 12.59 110.757 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 66.0 mt -62.03 -42.18 93.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 109.615 -0.513 . . . . 8.04 109.615 178.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -65.0 -44.45 89.2 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.648 -0.706 . . . . 10.51 109.882 179.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -59.4 -36.26 75.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.961 -0.563 . . . . 14.34 110.625 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -65.13 -31.54 72.78 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.853 -0.612 . . . . 11.16 111.274 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 94.5 mt -66.3 -28.52 68.75 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.192 0.52 . . . . 12.37 109.945 179.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 52' ' ' ILE . . . . . . . . . . . . . 72.5 mt -73.32 -41.52 57.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.499 -0.773 . . . . 15.35 109.59 178.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -63.74 -28.38 69.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.2 0.524 . . . . 15.02 110.689 179.499 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 54' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -85.7 -3.89 59.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.946 -0.57 . . . . 14.38 110.744 179.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 65.45 37.16 6.3 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.138 0.494 . . . . 18.85 111.294 -179.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 64.3 mmtt -106.67 -11.44 15.83 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.966 -0.561 . . . . 14.91 111.238 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.51 156.63 41.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 15.28 110.562 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 58' ' ' SER . . . . . . . . . . . . . 3.2 m -81.3 -81.13 0.14 Allowed 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.202 -0.454 . . . . 17.75 111.314 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 59' ' ' HIS . . . . . . . . . . . . . 43.8 m-70 -117.71 172.9 7.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.893 0.378 . . . . 19.98 111.347 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 45.6 mm -64.87 -34.33 69.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.798 -0.637 . . . . 14.55 111.497 -179.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.7 -31.64 68.43 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.715 0.635 . . . . 14.99 112.715 -178.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -89.84 -5.65 56.65 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.997 0.427 . . . . 16.71 112.148 -178.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 63' ' ' ILE . . . . . . . . . . . . . 51.6 mt -93.08 100.3 11.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 N-CA-C 112.734 0.642 . . . . 11.09 112.734 -178.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 64' ' ' LYS . . . . . . . . . . . . . 73.8 tttt -98.83 117.41 33.25 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.69 -0.855 . . . . 10.01 108.69 178.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 57.0 mt -112.02 144.14 41.86 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.769 0.319 . . . . 5.92 111.363 -179.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 5.2 mp -135.49 164.89 26.77 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.903 -0.589 . . . . 7.57 110.293 179.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 48.6 tp -136.89 89.94 2.49 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.47 -0.567 . . . . 7.44 109.47 178.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 68' ' ' LYS . . . . . 0.506 ' HZ3' ' CG ' ' B' ' 52' ' ' ASP . 4.8 mmmt 73.86 -50.32 0.69 Allowed 'General case' 0 N--CA 1.467 0.411 0 O-C-N 123.741 0.65 . . . . 13.3 112.277 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . -152.93 -41.49 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.991 -0.623 . . . . 8.93 112.406 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 70' ' ' LYS . . . . . . . . . . . . . 10.7 tptt -82.47 156.42 24.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.702 0.287 . . . . 9.68 110.927 -179.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 71' ' ' VAL . . . . . . . . . . . . . 9.0 m -86.29 148.85 4.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.142 -0.481 . . . . 7.05 110.975 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 83.3 mt -95.74 120.31 35.77 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.069 0.462 . . . . 5.9 110.685 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 73' ' ' HIS . . . . . . . . . . . . . 69.5 m-70 -88.42 138.02 31.8 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.927 -0.579 . . . . 9.1 110.075 -179.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -51.42 -41.05 60.51 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 113.183 0.809 . . . . 9.91 113.183 -178.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 75' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -76.26 5.54 6.83 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 113.443 0.905 . . . . 13.96 113.443 -178.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 76' ' ' LEU . . . . . . . . . . . . . 20.4 tp -86.52 134.65 33.65 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.925 0.393 . . . . 9.58 110.976 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -88.0 152.49 22.0 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.834 -0.621 . . . . 14.32 110.202 179.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 11.3 mt -64.85 -21.46 66.8 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.449 0.537 . . . . 9.58 112.449 -179.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 79' ' ' SER . . . . . . . . . . . . . 1.7 m -66.97 -19.7 65.76 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 112.037 0.384 . . . . 12.92 112.037 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 80' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -93.71 -18.43 22.12 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.007 0.373 . . . . 12.44 112.007 -179.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 26.3 mt -53.21 124.1 13.63 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.103 -0.498 . . . . 10.15 112.27 -178.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 82' ' ' LYS . . . . . . . . . . . . . 40.2 mmtm -82.02 62.13 5.64 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.799 -0.637 . . . . 12.59 110.049 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 8.8 m -104.6 126.68 59.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.464 0.65 . . . . 11.5 111.758 -179.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 84' ' ' THR . . . . . . . . . . . . . 30.5 p -116.21 175.31 1.99 Allowed Pre-proline 0 C--N 1.322 -0.628 0 N-CA-C 108.362 -0.977 . . . . 13.96 108.362 179.079 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 85' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -59.03 -18.02 41.01 Favored 'Trans proline' 0 CA--C 1.533 0.441 0 C-N-CA 122.161 1.908 . . . . 14.91 111.886 178.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -89.21 -27.51 20.59 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.156 -0.474 . . . . 15.11 111.549 179.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 87' ' ' ASN . . . . . . . . . . . . . 14.4 p-10 -131.3 96.4 4.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.541 0.686 . . . . 12.37 111.876 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 88' ' ' SER . . . . . . . . . . . . . 1.2 m -122.1 7.67 9.76 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.322 0.582 . . . . 10.56 109.986 179.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 89' ' ' THR . . . . . . . . . . . . . 2.8 m -93.74 130.05 39.86 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.422 -0.808 . . . . 9.87 111.312 -179.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 90' ' ' ILE . . . . . . . . . . . . . 49.4 mm -94.79 130.88 43.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 108.98 -0.748 . . . . 6.59 108.98 178.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 91' ' ' THR . . . . . . . . . . . . . 2.0 m -80.89 103.3 10.63 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.024 0.44 . . . . 8.75 111.097 -179.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 92' ' ' VAL . . . . . . . . . . . . . 42.2 t -93.37 117.42 36.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.167 -0.47 . . . . 9.58 109.925 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 93' ' ' MET . . . . . . . . . . . . . 6.3 ttt -126.5 58.97 1.37 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.389 -0.369 . . . . 10.9 110.828 -179.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 94' ' ' ILE . . . . . . . . . . . . . 92.8 mt -56.36 130.39 18.94 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 CA-C-N 116.112 -0.494 . . . . 13.44 111.012 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 95' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt . . . . . 0 C--N 1.326 -0.436 0 CA-C-N 115.9 -0.591 . . . . 14.95 110.698 -179.194 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.9 m . . . . . 0 CA--C 1.52 -0.189 0 CA-C-O 120.645 0.259 . . . . 10.77 110.487 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 57.86 42.23 23.5 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.344 0.593 . . . . 8.18 109.689 -178.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.1 152.88 15.84 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.975 -1.012 . . . . 10.11 110.929 -179.254 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 40.3 mmtm -55.64 -47.01 77.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 11.15 111.332 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -75.79 -29.31 58.69 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.575 -0.284 . . . . 11.43 110.999 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 59.0 tt0 -58.48 -39.19 79.31 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 121.389 0.614 . . . . 8.91 109.656 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 52.2 mt -87.12 -43.48 15.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.503 -0.771 . . . . 6.78 110.895 179.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.91 -41.9 75.25 Favored 'General case' 0 C--O 1.234 0.239 0 N-CA-C 112.113 0.412 . . . . 7.12 112.113 -179.317 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.49 -40.57 87.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.883 0.373 . . . . 7.6 111.211 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 91.5 mt -70.48 -33.92 71.79 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.179 -0.464 . . . . 5.62 111.248 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 91.3 mt -65.74 -53.05 42.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.148 -0.478 . . . . 4.53 110.664 179.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 20.2 m -66.4 -32.6 58.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.481 -0.327 . . . . 6.96 111.16 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -64.08 -37.37 87.19 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.235 0.54 . . . . 7.61 109.56 178.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -64.73 -49.69 69.82 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.667 -0.697 . . . . 5.51 110.045 179.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.2 m-30 -60.76 -44.26 96.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.121 -0.49 . . . . 6.35 111.332 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.8 m -60.1 -39.72 87.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 8.01 111.298 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.6 m -68.35 -34.72 76.59 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.396 -0.366 . . . . 8.27 111.412 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 98.3 mt -61.03 -45.28 98.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.536 -0.302 . . . . 8.37 111.549 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.9 m -74.97 -28.24 20.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 C-N-CA 120.989 -0.284 . . . . 9.63 111.746 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -61.26 -43.58 98.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.958 0.409 . . . . 10.98 111.311 179.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.7 pttt -94.46 5.44 51.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.022 -0.535 . . . . 11.09 110.782 179.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.0 mttm 51.57 54.54 10.84 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.522 -0.763 . . . . 12.07 112.757 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -87.51 -29.06 21.63 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.16 -0.473 . . . . 9.58 110.968 179.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 12.9 tt -86.73 164.16 2.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.154 -0.476 . . . . 9.5 110.516 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.1 p -72.71 165.87 23.95 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.968 0.413 . . . . 10.1 111.477 -179.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -62.62 -35.97 81.29 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.782 -0.645 . . . . 11.9 110.531 179.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.62 -30.79 61.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.991 -0.55 . . . . 10.3 110.857 -179.711 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -75.41 -14.6 81.82 Favored Glycine 0 C--N 1.33 0.235 0 CA-C-N 115.955 -0.566 . . . . 8.75 112.981 -179.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.87 -41.58 99.44 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.895 0.379 . . . . 8.42 110.257 179.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -62.49 -40.53 96.99 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.759 -0.655 . . . . 9.73 110.049 179.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -63.06 -43.94 97.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.534 -0.757 . . . . 8.02 111.471 -179.443 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 23.0 mt -66.94 -35.46 80.02 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.993 -0.283 . . . . 6.89 111.002 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -59.8 -52.8 63.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.102 -0.499 . . . . 9.79 110.874 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.8 p -69.39 -40.01 79.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 112.425 0.528 . . . . 9.6 112.425 -179.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.76 -48.61 80.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.795 0.331 . . . . 7.62 110.336 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 36.3 ttm -63.25 -40.69 98.14 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.858 -0.61 . . . . 8.19 110.388 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -61.68 -50.56 72.01 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.568 -0.742 . . . . 11.12 110.941 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 91.7 m -64.91 -38.57 91.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.325 -0.398 . . . . 9.77 111.822 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 65.3 mt -61.85 -36.65 75.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-O 121.043 0.449 . . . . 9.06 110.365 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 32.9 m -59.92 -53.7 54.83 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.678 -0.692 . . . . 10.96 111.797 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -71.01 -26.39 63.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.854 0.359 . . . . 12.89 111.903 -179.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.08 -48.52 67.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.134 -0.485 . . . . 11.68 111.239 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -83.47 -13.82 53.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.47 -0.332 . . . . 11.93 111.685 -179.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.03 45.95 6.87 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.683 -0.77 . . . . 13.13 113.006 179.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 20.1 p90 -144.66 141.63 29.5 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.115 -0.328 . . . . 12.01 110.115 179.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -73.21 146.22 45.68 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.679 -0.489 . . . . 14.85 109.679 179.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 17.3 ttp180 -57.58 -43.49 84.64 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.082 0.468 . . . . 12.02 110.779 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 51.7 mp0 -76.08 -3.41 35.8 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.773 -0.649 . . . . 13.0 111.731 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.95 -1.0 57.89 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.866 0.365 . . . . 12.82 111.198 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 14.4 p -60.89 -33.38 55.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 10.88 110.983 179.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.5 m -64.15 -39.0 93.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.037 -0.528 . . . . 12.18 111.067 179.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.33 -40.96 69.21 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.949 -0.643 . . . . 12.77 111.675 179.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 64.4 mt -62.96 -45.1 99.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.952 0.406 . . . . 11.54 110.377 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 68.2 mt -69.98 -23.57 63.19 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.141 -0.481 . . . . 10.42 110.982 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -72.71 -34.43 59.64 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.952 -0.642 . . . . 12.46 112.875 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.2 ptpt -91.46 -27.57 18.18 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.211 0.448 . . . . 14.49 112.211 -179.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.8 m -87.64 147.58 25.21 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.614 -0.266 . . . . 10.83 110.696 -179.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -77.15 54.75 1.1 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.494 0.664 . . . . 10.68 111.525 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -139.77 11.7 2.47 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.428 -0.805 . . . . 8.55 109.246 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.2 ptmt -64.02 132.88 51.92 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.99 -1.005 . . . . 13.32 111.365 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 79.3 18.93 73.02 Favored Glycine 0 N--CA 1.449 -0.438 0 CA-C-N 115.747 -0.66 . . . . 9.82 112.732 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -133.11 149.36 52.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.827 0.346 . . . . 9.22 111.243 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 17.0 m80 -115.69 163.25 16.08 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.96 -0.756 . . . . 9.01 108.96 179.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 21.7 tp -56.14 -40.24 73.5 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.834 0.679 . . . . 4.77 112.834 -179.021 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.87 -44.78 84.34 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.363 0.505 . . . . 5.96 112.363 -179.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -58.66 -53.52 57.38 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.098 0.475 . . . . 7.82 110.912 -179.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 41.0 mt -61.69 -47.12 94.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.489 -0.778 . . . . 5.79 112.09 -178.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 14.5 tp -60.2 -43.68 95.75 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.528 0.566 . . . . 5.97 112.528 -178.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -71.49 -28.0 63.62 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.925 -0.31 . . . . 9.81 111.301 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.5 m -75.82 -43.92 43.63 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.414 -0.357 . . . . 7.98 110.909 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -103.61 92.18 4.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.103 0.478 . . . . 7.06 110.885 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.4 m -119.74 175.34 5.92 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.036 -0.529 . . . . 9.21 110.573 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -133.51 159.99 38.76 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.7 -0.227 . . . . 9.55 110.628 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 45.9 t -106.75 118.75 53.53 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 116.157 -0.474 . . . . 12.15 109.911 179.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -74.47 91.25 0.98 Allowed 'Trans proline' 0 N--CA 1.465 -0.196 0 C-N-CA 123.168 2.579 . . . . 12.82 112.324 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -86.25 115.74 23.99 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.334 -0.393 . . . . 14.19 111.08 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 36.7 m . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.143 -0.932 . . . . 15.67 110.475 179.201 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 46.4 ttp . . . . . 0 N--CA 1.482 1.147 0 CA-C-O 120.547 0.213 . . . . 11.23 111.343 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 16.5 mmt -99.42 43.5 1.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.808 -0.178 . . . . 13.11 111.224 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 1.4 m 63.01 90.73 0.08 Allowed 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.278 -0.419 . . . . 11.68 111.072 -179.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.89 109.64 0.99 Allowed 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.076 -0.511 . . . . 8.3 111.353 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 3.4 m -77.98 161.56 27.42 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.896 -0.593 . . . . 9.28 111.308 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp -53.24 -50.81 63.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.007 -0.542 . . . . 8.73 112.065 -179.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 8.1 pm0 -63.79 -34.79 78.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 9.58 111.846 -179.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -68.9 -40.29 79.24 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.101 -0.499 . . . . 8.61 110.331 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 82.1 mt -69.27 -42.19 81.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 109.317 -0.623 . . . . 5.19 109.317 178.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.03 -33.09 73.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.709 -0.678 . . . . 4.42 111.015 179.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.52 -39.58 88.32 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.277 -0.419 . . . . 5.79 110.474 179.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 70.5 mt -73.32 -31.81 64.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.186 -0.461 . . . . 4.52 110.364 179.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 94.8 mt -63.98 -51.79 64.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.818 -0.628 . . . . 4.37 110.007 179.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 18.8 m -67.48 -33.52 62.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.398 -0.364 . . . . 6.25 110.684 179.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -62.26 -39.42 92.84 Favored 'General case' 0 CA--C 1.52 -0.184 0 N-CA-C 109.457 -0.572 . . . . 7.24 109.457 178.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -62.3 -48.9 77.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.848 -0.614 . . . . 7.41 110.238 179.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -64.08 -40.65 96.7 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.284 -0.416 . . . . 8.36 110.827 179.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 50.6 m -62.69 -37.81 87.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 9.5 110.293 179.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 43.8 m -68.89 -20.64 64.25 Favored 'General case' 0 C--O 1.225 -0.204 0 CA-C-N 115.934 -0.576 . . . . 9.77 110.586 179.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 95.1 mt -84.3 -44.5 17.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.302 -0.408 . . . . 11.09 110.594 179.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 29.1 m -71.56 -33.18 48.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 113.262 0.838 . . . . 12.38 113.262 -178.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -61.2 -42.94 99.47 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 112.38 0.511 . . . . 13.19 112.38 -179.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.74 10.72 39.76 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.031 0.444 . . . . 13.7 110.925 179.332 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 17.6 ttmm 47.92 69.43 0.53 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.037 -0.983 . . . . 16.11 113.332 179.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -88.65 -11.3 45.74 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.486 0.66 . . . . 12.56 109.525 178.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 17.1 tt -120.92 163.3 18.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.348 -0.842 . . . . 13.67 110.014 -179.155 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.23 161.69 29.68 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.716 0.293 . . . . 15.14 110.996 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.8 -28.36 63.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.437 . . . . 16.66 112.177 -179.569 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.43 -62.15 1.87 Allowed 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 110.286 -0.264 . . . . 15.52 110.286 178.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.32 -30.76 74.96 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 121.198 -0.525 . . . . 13.62 112.127 179.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.08 -38.76 92.45 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.773 0.32 . . . . 12.71 110.464 179.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.48 -42.32 92.32 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.199 -0.667 . . . . 13.38 109.199 179.344 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -63.9 -47.77 79.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.595 -0.73 . . . . 11.95 110.793 179.327 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 86.6 mt -64.98 -31.73 73.11 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.295 -0.412 . . . . 10.13 111.352 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -54.95 -49.23 71.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.946 -0.57 . . . . 11.27 110.82 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 7.8 p -83.38 -35.71 12.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.268 -0.424 . . . . 10.04 111.209 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.11 -40.4 89.54 Favored 'General case' 0 N--CA 1.462 0.164 0 N-CA-C 112.061 0.393 . . . . 8.58 112.061 -179.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 46.6 mtm -61.79 -38.51 88.38 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-O 120.763 0.316 . . . . 7.93 111.295 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -66.99 -31.34 71.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.082 -0.508 . . . . 9.48 110.82 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 30.2 m -65.42 -34.34 78.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.953 -0.567 . . . . 8.46 110.584 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 71.4 mt -68.65 -44.56 82.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.936 -0.575 . . . . 6.23 111.307 -179.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.81 -50.82 72.0 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 112.55 0.574 . . . . 7.39 112.55 -179.126 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -68.31 -33.18 73.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.254 -0.43 . . . . 8.81 112.066 -178.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.68 -52.8 18.69 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.131 0.419 . . . . 7.38 112.131 -179.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -71.81 -38.33 70.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.574 -0.284 . . . . 8.09 111.664 -179.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 106.86 59.86 0.58 Allowed Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.297 -0.954 . . . . 9.43 112.839 179.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -156.81 152.29 26.71 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.863 -0.421 . . . . 8.7 109.863 179.051 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.78 132.68 39.38 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.969 0.414 . . . . 11.16 111.089 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 19.0 ttp-105 -70.64 -33.92 71.51 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.341 -0.845 . . . . 11.12 110.574 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -90.42 2.01 56.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.108 0.48 . . . . 11.8 111.546 -179.473 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -122.82 28.55 7.22 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.216 -0.447 . . . . 10.53 110.342 179.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 13.9 p -66.59 -29.49 46.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.774 -0.648 . . . . 9.19 110.929 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -35.72 80.26 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 116.081 -0.509 . . . . 10.94 110.523 179.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -69.72 -30.49 70.61 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.937 -0.649 . . . . 11.05 111.713 179.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 33.9 mt -71.2 -46.78 64.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 109.794 -0.447 . . . . 9.74 109.794 179.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 75.2 mt -63.85 -36.81 85.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.92 -0.582 . . . . 9.17 110.178 179.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -74.57 -18.3 79.96 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.905 -0.664 . . . . 11.56 112.029 179.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -89.85 -47.24 8.01 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.755 0.312 . . . . 12.67 110.487 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 66.8 m -73.62 177.51 5.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.057 -0.52 . . . . 9.82 112.347 -179.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -74.33 -26.17 59.99 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.631 -0.713 . . . . 10.24 111.249 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -87.46 97.58 10.91 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.046 -0.524 . . . . 7.84 111.303 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.68 139.82 46.66 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.929 -0.578 . . . . 11.89 109.954 179.133 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 79.62 -47.85 3.34 Favored Glycine 0 CA--C 1.517 0.205 0 C-N-CA 121.097 -0.573 . . . . 8.65 111.95 -179.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -70.77 128.35 35.77 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 110.027 -0.36 . . . . 7.81 110.027 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 38.7 m80 -87.01 162.78 17.43 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.286 -0.635 . . . . 8.35 109.286 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 39.8 tp -57.04 -39.84 75.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.856 0.36 . . . . 4.32 111.231 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.65 -41.07 92.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.061 -0.518 . . . . 5.79 111.542 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -59.85 -51.09 71.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 6.75 110.614 -179.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 55.7 mt -62.98 -48.56 87.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.733 -0.667 . . . . 4.76 111.082 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 5.3 mp -61.49 -30.03 70.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.085 -0.507 . . . . 5.48 111.854 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -77.65 -40.44 41.75 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.93 -0.308 . . . . 8.15 110.523 179.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 18.1 m -66.53 -38.45 87.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.943 -0.572 . . . . 6.84 110.492 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.42 111.9 2.51 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.629 -0.714 . . . . 6.55 110.879 179.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 6.5 m -100.53 100.41 11.14 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.916 -0.584 . . . . 8.4 110.886 -179.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 15.0 mmm180 -100.79 123.07 44.46 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.944 -0.571 . . . . 10.77 110.105 179.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 19.1 t -120.85 94.23 48.87 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-N 116.182 -0.463 . . . . 11.96 109.969 179.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_exo . . . . . 0 N--CA 1.462 -0.345 0 C-N-CA 122.977 2.451 . . . . 13.1 111.124 179.725 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 37.5 t . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.481 -0.563 . . . . 9.99 109.481 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 21' ' ' HIS . . . . . . . . . . . . . 66.7 t60 -75.13 113.66 12.73 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.042 -0.527 . . . . 9.56 110.97 -179.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 22' ' ' LEU . . . . . . . . . . . . . 94.7 mt -120.25 137.46 54.21 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.163 -0.472 . . . . 6.88 111.209 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 23' ' ' THR . . . . . . . . . . . . . 23.2 m -106.47 112.82 25.99 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.343 -0.614 . . . . 8.91 109.343 179.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 24' ' ' LEU . . . . . . . . . . . . . 33.5 mt -92.64 123.41 35.91 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.704 -0.225 . . . . 8.66 110.83 -179.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 16.2 tptm -139.04 124.68 19.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.419 . . . . 14.0 111.018 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 7.7 ttpp -91.11 118.92 30.82 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.468 -0.567 . . . . 14.52 109.468 178.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 27' ' ' ILE . . . . . . . . . . . . . 17.8 pt -69.62 -41.05 80.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.095 -0.502 . . . . 14.88 112.297 -178.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.15 154.39 20.77 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.537 -0.301 . . . . 15.23 111.031 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.66 141.56 92.99 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.378 -0.373 . . . . 18.5 111.126 -179.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 30' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -77.91 141.96 68.51 Favored 'Cis proline' 0 C--N 1.344 0.33 0 C-N-CA 123.218 -1.576 . . . . 17.48 111.549 -0.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -87.88 135.27 33.47 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.91 0.386 . . . . 17.92 111.554 -179.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 42.6 p90 -145.42 147.24 32.02 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.848 -0.615 . . . . 13.5 110.006 178.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 33' ' ' SER . . . . . . . . . . . . . 2.9 m -132.03 118.26 19.47 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.234 -0.439 . . . . 12.59 110.015 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 8.5 pt -137.01 146.55 28.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.371 -0.377 . . . . 10.72 109.998 179.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 35' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -123.56 143.73 50.02 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.762 0.315 . . . . 10.54 111.14 -179.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 36' ' ' HIS . . . . . . . . . . . . . 14.4 t60 -157.53 141.09 15.66 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.198 -0.455 . . . . 10.1 110.086 179.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -94.48 113.6 25.47 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.278 -0.638 . . . . 9.77 109.278 179.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 38' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -99.61 -178.81 4.0 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.739 0.304 . . . . 9.82 111.053 -179.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.22 148.59 34.84 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 116.731 -0.213 . . . . 11.97 110.7 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -65.43 -17.67 58.2 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.736 2.291 . . . . 12.89 111.789 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.99 2.16 54.41 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.69 -0.686 . . . . 14.73 111.014 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 58.5 m-20 -95.01 157.37 15.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.423 -0.353 . . . . 11.77 110.568 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 27.8 p -111.23 179.26 4.09 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.233 -0.44 . . . . 11.41 110.335 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 45.1 mm -64.52 -27.76 43.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.032 0.444 . . . . 8.13 110.447 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 53.2 tp -59.12 -39.09 81.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.78 -0.645 . . . . 12.88 110.967 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 46' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -62.93 -39.08 93.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.199 -0.455 . . . . 12.59 110.585 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 44.4 mt -65.53 -42.95 94.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.927 -0.579 . . . . 8.04 110.215 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 48' ' ' LYS . . . . . 0.46 ' HZ1' ' CG ' ' C' ' 74' ' ' ASP . 93.8 mttt -61.82 -46.4 89.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.861 -0.609 . . . . 10.51 110.684 179.605 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -62.92 -36.63 84.03 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.018 -0.537 . . . . 14.34 110.397 179.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 68.6 t60 -63.62 -37.15 86.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.981 -0.554 . . . . 11.16 110.611 179.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 61.3 mt -62.24 -32.08 72.72 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.437 -0.347 . . . . 12.37 111.283 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 52' ' ' ILE . . . . . . . . . . . . . 69.3 mt -66.89 -45.72 86.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.2 -0.454 . . . . 15.35 110.1 179.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.21 -30.21 71.28 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.196 -0.456 . . . . 15.02 111.097 179.47 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 54' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -78.43 0.43 25.86 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.289 -0.414 . . . . 14.38 110.597 179.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 62.69 42.07 8.59 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.849 -0.614 . . . . 18.85 111.281 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 35.0 mmtm -128.6 10.53 6.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.269 -0.423 . . . . 14.91 111.527 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -157.91 164.41 36.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.303 -0.408 . . . . 15.28 110.81 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 58' ' ' SER . . . . . . . . . . . . . 25.2 t -118.87 -75.7 0.58 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.474 -0.33 . . . . 17.75 111.099 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 59' ' ' HIS . . . . . . . . . . . . . 86.0 m-70 -100.86 153.28 19.62 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.676 0.274 . . . . 19.98 110.595 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 45.9 mm -65.86 -39.03 83.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.02 -0.536 . . . . 14.55 111.443 -179.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 3.4 p -68.12 -18.83 64.75 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.175 -0.466 . . . . 14.99 112.236 -179.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -83.46 -15.97 47.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.927 0.394 . . . . 16.71 110.771 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 63' ' ' ILE . . . . . . . . . . . . . 25.5 mt -89.69 104.53 15.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.035 -0.529 . . . . 11.09 111.68 -178.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 64' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -102.1 95.58 6.43 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.552 -0.749 . . . . 10.01 109.538 179.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 86.4 mt -93.24 146.44 23.69 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.121 -0.49 . . . . 5.92 110.594 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -154.76 160.92 41.63 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.434 -0.348 . . . . 7.57 110.701 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 43.3 tp -146.58 115.3 6.83 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.834 -0.621 . . . . 7.44 109.916 179.142 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 24.5 mmmt 62.42 29.97 17.25 Favored 'General case' 0 C--N 1.332 -0.16 0 O-C-N 123.621 0.576 . . . . 13.3 111.397 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 95.26 -31.57 6.94 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.954 -0.641 . . . . 8.93 111.877 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 70' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -70.63 114.18 8.47 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.97 -0.382 . . . . 9.68 109.97 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 71' ' ' VAL . . . . . . . . . . . . . 60.7 t -63.97 126.29 22.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.594 -0.521 . . . . 7.05 109.594 179.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 52.4 mt -80.78 91.39 5.92 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.306 0.574 . . . . 5.9 110.59 -179.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 73' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -69.43 144.72 53.24 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.27 -0.877 . . . . 9.1 109.584 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 74' ' ' ASP . . . . . 0.46 ' CG ' ' HZ1' ' C' ' 48' ' ' LYS . 36.0 m-20 -49.3 -45.43 45.22 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 113.077 0.769 . . . . 9.91 113.077 -178.476 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 75' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -80.56 55.6 2.37 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.241 -0.436 . . . . 13.96 112.094 -179.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 76' ' ' LEU . . . . . . . . . . . . . 32.7 tp -139.78 128.38 23.03 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.567 -0.531 . . . . 9.58 109.567 179.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -81.34 149.64 28.82 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.227 -0.442 . . . . 14.32 111.043 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 21.3 mt -64.05 -17.16 63.1 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.974 -0.557 . . . . 9.58 112.011 -179.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 79' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.53 -19.48 63.71 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.339 -0.391 . . . . 12.92 110.875 179.651 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 80' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -96.61 5.14 51.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.106 0.479 . . . . 12.44 111.058 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 30.1 mt -77.82 122.3 25.25 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.837 0.351 . . . . 10.15 110.396 179.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 82' ' ' LYS . . . . . . . . . . . . . 41.2 mmtt -82.26 47.1 1.1 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.157 0.503 . . . . 12.59 110.662 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -85.52 115.46 27.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.918 -0.583 . . . . 11.5 111.745 -179.35 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 84' ' ' THR . . . . . . . . . . . . . 2.3 p -111.85 162.98 18.78 Favored Pre-proline 0 C--N 1.319 -0.754 0 N-CA-C 108.358 -0.978 . . . . 13.96 108.358 179.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 85' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -54.84 -31.25 71.95 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.81 2.34 . . . . 14.91 112.545 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -72.76 -21.07 61.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.399 -0.364 . . . . 15.11 111.865 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 87' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -155.65 74.51 0.88 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.153 0.501 . . . . 12.37 111.912 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 88' ' ' SER . . . . . . . . . . . . . 1.1 m -96.65 11.57 34.9 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.264 0.554 . . . . 10.56 110.222 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 89' ' ' THR . . . . . . . . . . . . . 11.2 m -88.87 124.87 34.61 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.773 -0.648 . . . . 9.87 112.109 -179.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 90' ' ' ILE . . . . . . . . . . . . . 49.1 mm -92.56 125.92 45.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 108.469 -0.938 . . . . 6.59 108.469 178.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 91' ' ' THR . . . . . . . . . . . . . 2.0 m -74.39 111.64 9.77 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.123 -0.489 . . . . 8.75 110.958 -179.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 92' ' ' VAL . . . . . . . . . . . . . 42.4 t -98.22 129.07 49.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.948 -0.569 . . . . 9.58 110.157 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 93' ' ' MET . . . . . . . . . . . . . 7.9 mtm -135.82 143.04 44.94 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.514 -0.312 . . . . 10.9 110.223 179.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 94' ' ' ILE . . . . . . . . . . . . . 63.6 mt -116.9 116.96 53.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 109.794 -0.447 . . . . 13.44 109.794 179.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 95' ' ' LYS . . . . . . . . . . . . . 20.3 mmtp . . . . . 0 C--N 1.321 -0.64 0 CA-C-N 115.877 -0.601 . . . . 14.95 110.234 -179.953 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.273 0 CA-C-O 120.43 0.157 . . . . 10.47 111.094 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 11.0 mmt -76.32 -74.87 0.21 Allowed 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.601 0.239 . . . . 11.61 111.539 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.0 m -142.54 -14.48 0.76 Allowed 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.015 0.376 . . . . 10.77 112.015 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 60.48 46.86 9.23 Favored 'General case' 0 CA--C 1.521 -0.136 0 CA-C-O 121.327 0.584 . . . . 8.18 110.646 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.9 m -70.03 171.62 9.23 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.413 -0.812 . . . . 10.11 110.17 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.1 mtmm -54.56 -41.82 70.24 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.249 -0.432 . . . . 11.15 112.064 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.0 pm0 -69.34 -35.38 75.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.506 0.193 . . . . 11.43 111.314 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -64.73 -47.45 78.21 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 121.048 0.452 . . . . 8.91 110.273 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 65.6 mt -69.82 -43.58 79.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.672 -0.694 . . . . 6.78 111.163 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.69 -43.19 72.29 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 112.136 0.421 . . . . 7.12 112.136 -179.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.25 -42.97 92.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 7.6 110.935 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 74.7 mt -69.41 -34.9 75.16 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.162 -0.472 . . . . 5.62 111.34 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 91.8 mt -65.57 -52.12 54.73 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-N 116.267 -0.424 . . . . 4.53 110.516 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.4 m -65.99 -31.66 54.68 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 CA-C-N 116.393 -0.367 . . . . 6.96 110.924 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -66.92 -40.9 87.75 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.849 -0.426 . . . . 7.61 109.849 178.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 29.4 t80 -60.25 -46.84 88.41 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.904 -0.589 . . . . 5.51 109.874 178.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.2 m-30 -61.23 -39.82 91.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.073 -0.512 . . . . 6.35 110.427 179.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.1 m -64.06 -36.46 84.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.838 -0.619 . . . . 8.01 110.329 179.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 17.3 m -67.96 -41.02 83.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.043 -0.526 . . . . 8.27 110.486 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 78.8 mt -60.4 -48.94 86.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 116.171 -0.468 . . . . 8.37 111.34 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.2 m -73.07 -26.02 22.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 112.42 0.526 . . . . 9.63 112.42 -179.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.81 -53.91 43.42 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.85 0.357 . . . . 10.98 111.171 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 22.2 pttt -88.4 8.26 28.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.937 0.399 . . . . 11.09 111.031 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.6 tptm 52.47 68.68 0.79 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.352 -0.84 . . . . 12.07 112.216 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -100.87 4.9 43.14 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.974 -0.557 . . . . 9.58 110.611 179.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 20.1 tt -140.26 149.47 21.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.837 -0.62 . . . . 9.5 109.917 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.6 p -74.23 158.53 33.93 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.387 -0.37 . . . . 10.1 110.725 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -55.48 -24.98 34.31 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.999 -0.546 . . . . 11.9 112.23 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -59.62 -54.71 43.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.187 -0.46 . . . . 10.3 110.466 179.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.99 -16.96 62.12 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.864 -0.684 . . . . 8.75 112.273 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.08 -46.3 88.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.612 0.244 . . . . 8.42 111.557 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -69.19 -29.31 67.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.745 0.307 . . . . 9.73 110.984 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 13.9 m -64.06 -47.63 79.41 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.052 0.453 . . . . 8.02 109.88 178.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 92.1 mt -71.06 -30.01 66.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 6.89 110.0 179.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 18.8 t30 -58.5 -46.67 86.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.333 -0.849 . . . . 9.79 110.631 179.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.7 p -79.79 -37.28 17.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.484 -0.326 . . . . 9.6 111.081 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.16 -39.15 81.6 Favored 'General case' 0 C--N 1.334 -0.078 0 CA-C-O 120.806 0.336 . . . . 7.62 110.989 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 35.2 ttm -58.32 -40.66 82.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.991 -0.549 . . . . 8.19 110.618 179.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.449 ' CG ' ' HZ1' ' C' ' 95' ' ' LYS . 21.6 t70 -69.9 -40.81 75.39 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.753 -0.658 . . . . 11.12 110.876 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 69.8 m -60.15 -41.39 92.64 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 121.06 0.457 . . . . 9.77 109.91 178.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 97.6 mt -64.27 -41.96 93.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.829 -0.623 . . . . 9.06 109.763 179.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.6 m -60.34 -44.31 95.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.789 -0.642 . . . . 10.96 111.429 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -70.14 -37.8 75.36 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.35 -0.386 . . . . 12.89 111.741 -179.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.75 -42.57 97.66 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.677 0.621 . . . . 11.68 112.677 -179.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -88.59 -17.81 29.36 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 112.41 0.522 . . . . 11.93 112.41 -179.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.32 58.33 1.67 Allowed Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.795 -0.717 . . . . 13.13 114.02 178.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 51.6 p90 -151.94 155.47 38.12 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.285 -0.265 . . . . 12.01 110.285 178.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -80.66 143.04 33.37 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.919 0.39 . . . . 14.85 111.539 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.907 HH22 ' N ' ' C' ' 98' ' ' PRO . 28.0 ttp180 -57.52 -42.29 82.54 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.648 -0.705 . . . . 12.02 111.566 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 22.8 mp0 -88.46 10.47 20.04 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.252 -0.431 . . . . 13.0 112.046 -179.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -100.24 6.1 44.69 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.917 0.389 . . . . 12.82 111.154 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.4 p -61.26 -32.22 52.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.829 -0.623 . . . . 10.88 111.078 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.55 -34.81 77.69 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.883 -0.599 . . . . 12.18 110.999 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -78.89 -38.03 24.34 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.756 -0.735 . . . . 12.77 111.679 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 53.7 mt -62.54 -43.04 98.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.723 0.296 . . . . 11.54 110.728 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 96.9 mt -68.06 -23.1 64.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 10.42 110.601 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -81.41 -50.61 4.98 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.979 -0.629 . . . . 12.46 112.212 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -66.58 -27.22 67.55 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 111.975 0.361 . . . . 14.49 111.975 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.8 m -95.08 162.01 13.89 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.214 -0.662 . . . . 10.83 109.214 178.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 54.7 mm-40 -89.2 56.63 3.73 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.033 0.445 . . . . 10.68 111.232 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -133.65 18.32 3.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.407 0.622 . . . . 8.55 110.052 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.81 129.82 41.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.615 -0.72 . . . . 13.32 110.634 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 80.76 15.81 76.8 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.613 -0.803 . . . . 9.82 111.894 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -132.28 131.57 42.16 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.825 0.345 . . . . 9.22 110.749 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 12.7 m80 -109.17 158.48 17.77 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.756 -0.831 . . . . 9.01 108.756 179.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 24.8 tp -54.48 -33.77 60.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.859 0.361 . . . . 4.77 111.032 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.83 -57.37 8.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.942 -0.572 . . . . 5.96 111.249 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -59.96 -35.65 75.44 Favored 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 111.873 0.323 . . . . 7.82 111.873 -179.526 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 85.5 mt -64.62 -50.77 74.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.685 -0.234 . . . . 5.79 110.682 179.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.9 mp -66.1 -31.51 72.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.304 0.573 . . . . 5.97 110.4 179.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -65.13 -23.71 67.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.456 -0.793 . . . . 9.81 110.995 179.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 12.8 m -93.75 0.74 56.5 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.309 -0.405 . . . . 7.98 111.245 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -93.55 98.82 11.42 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-O 121.213 0.53 . . . . 7.06 111.377 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.7 m -89.02 65.29 7.44 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.074 -0.512 . . . . 9.21 111.322 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -72.03 120.41 17.59 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.141 -0.481 . . . . 9.55 110.009 179.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 45.5 t -104.72 116.48 60.88 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 116.447 -0.342 . . . . 12.15 110.238 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_exo -74.48 102.79 1.6 Allowed 'Trans proline' 0 N--CA 1.462 -0.334 0 C-N-CA 122.883 2.389 . . . . 12.82 111.516 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -93.66 54.78 2.07 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.107 0.48 . . . . 14.19 110.105 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.251 1.134 0 CA-C-O 118.46 -0.781 . . . . 15.67 111.196 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 44.8 ttp . . . . . 0 N--CA 1.479 0.991 0 N-CA-C 110.302 -0.259 . . . . 11.23 110.302 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 13.3 mmt -82.85 59.26 4.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.943 0.402 . . . . 13.11 110.402 178.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 11.6 m 65.94 -164.76 0.23 Allowed 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 115.38 -0.827 . . . . 11.68 110.951 -179.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -128.42 83.0 2.12 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.879 0.371 . . . . 8.3 110.455 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 1.4 m -69.17 141.0 54.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.094 -0.503 . . . . 9.28 110.689 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 49.6 mttp -52.2 -45.84 65.35 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.978 0.733 . . . . 8.73 112.978 -178.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 3.6 pm0 -65.88 -34.17 77.52 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.721 0.296 . . . . 9.58 111.198 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -69.58 -39.58 77.25 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.013 0.435 . . . . 8.61 110.233 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 72.4 mt -68.79 -45.2 81.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 109.375 -0.602 . . . . 5.19 109.375 178.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.72 -37.8 79.88 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.702 -0.681 . . . . 4.42 111.143 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.25 -40.02 92.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.113 -0.494 . . . . 5.79 110.522 179.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 38.3 mt -71.11 -34.16 70.83 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.28 -0.418 . . . . 4.52 110.894 179.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.19 -50.87 74.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 4.37 110.344 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 31.2 m -66.75 -35.1 73.95 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-O 120.917 0.389 . . . . 6.25 110.677 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -63.48 -39.99 95.9 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.12 -0.491 . . . . 7.24 109.777 178.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -59.21 -49.24 78.62 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.72 -0.673 . . . . 7.41 110.377 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -63.33 -38.83 92.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.357 -0.383 . . . . 8.36 110.581 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 42.0 m -63.61 -36.21 83.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.009 -0.541 . . . . 9.5 110.474 178.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 19.2 m -70.61 -14.95 62.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.293 0.568 . . . . 9.77 111.019 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 97.2 mt -89.27 -45.87 15.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.049 -0.523 . . . . 11.09 110.011 179.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 26.9 m -74.38 -24.0 18.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 112.736 0.643 . . . . 12.38 112.736 -179.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -64.7 -24.32 67.53 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 111.93 0.344 . . . . 13.19 111.93 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 23.4 pttm -124.54 14.26 8.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.797 0.332 . . . . 13.7 111.258 -179.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 20.3 ttmm 51.46 55.15 9.86 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.724 -0.671 . . . . 16.11 112.016 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -83.87 -16.53 44.1 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.531 0.682 . . . . 12.56 109.575 179.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 4.7 tp -110.2 160.53 9.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.25 -0.887 . . . . 13.67 109.308 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 2.1 p -69.87 167.18 17.88 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.808 0.337 . . . . 15.14 111.6 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -55.08 -38.22 67.79 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.002 -0.545 . . . . 16.66 111.927 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.46 -45.29 55.05 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.104 -0.498 . . . . 15.52 110.179 179.346 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.77 -39.77 95.76 Favored Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 115.902 -0.59 . . . . 13.62 111.881 179.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.33 -45.51 91.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.839 0.352 . . . . 12.71 110.682 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.31 -43.13 95.66 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.782 -0.645 . . . . 13.38 109.757 179.556 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 19.1 m -62.99 -44.5 95.85 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.318 -0.856 . . . . 11.95 111.413 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 74.2 mt -65.83 -35.42 80.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.764 0.316 . . . . 10.13 111.051 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -58.98 -52.21 66.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.495 . . . . 11.27 110.954 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 14.4 p -70.14 -33.7 55.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.393 -0.367 . . . . 10.04 111.124 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.41 -42.9 96.93 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.829 0.347 . . . . 8.58 110.164 179.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 74.3 mtm -64.07 -36.47 84.12 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.928 -0.578 . . . . 7.93 110.355 179.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.16 -42.23 96.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.822 -0.626 . . . . 9.48 110.362 179.446 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 35.9 m -62.3 -43.39 98.94 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.652 -0.704 . . . . 8.46 110.468 179.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 87.9 mt -62.81 -43.27 98.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 6.23 110.313 179.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 19.8 m -59.71 -52.07 67.08 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.732 -0.667 . . . . 7.39 112.326 -179.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -68.83 -29.63 68.0 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.781 0.66 . . . . 8.81 112.781 -178.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.26 -39.14 65.64 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.865 0.32 . . . . 7.38 111.865 -179.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -83.97 -29.35 27.1 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.136 0.421 . . . . 8.09 112.136 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 104.01 48.05 1.19 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.675 -0.774 . . . . 9.43 112.994 179.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 36.4 p90 -154.11 177.64 10.86 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.829 -0.434 . . . . 8.7 109.829 179.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -118.44 146.77 44.21 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.707 0.289 . . . . 11.16 110.62 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 14.0 ttp-105 -64.84 -31.38 72.59 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.328 0.585 . . . . 11.12 109.923 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -77.69 0.16 24.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.836 -0.62 . . . . 11.8 111.053 179.344 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -116.29 12.92 15.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.159 -0.473 . . . . 10.53 110.879 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 14.1 p -63.12 -34.47 66.91 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-N 116.156 -0.474 . . . . 9.19 111.12 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.37 -35.36 80.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.112 -0.494 . . . . 10.94 110.539 179.555 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -71.26 -35.6 63.77 Favored Glycine 0 N--CA 1.446 -0.636 0 CA-C-N 115.675 -0.693 . . . . 11.05 112.065 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 56.6 mt -71.04 -51.08 37.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 109.66 -0.496 . . . . 9.74 109.66 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 96.6 mt -62.24 -29.57 70.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.997 -0.547 . . . . 9.17 110.998 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -67.05 -26.52 73.31 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 121.175 -0.536 . . . . 11.56 112.381 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 53.8 mttp -92.49 -44.24 8.75 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.768 -0.456 . . . . 12.67 109.768 179.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' SER . . . . . 0.402 ' C ' ' H ' ' B' ' 74' ' ' PHE . 68.9 m -63.68 161.78 14.38 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.582 -0.735 . . . . 9.82 111.738 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -81.77 20.75 0.91 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.74 -0.664 . . . . 10.24 110.565 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . 0.402 ' H ' ' C ' ' B' ' 72' ' ' SER . 44.5 m-85 -110.48 11.83 23.03 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.983 -0.553 . . . . 7.84 110.589 -179.389 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -64.87 119.81 11.36 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.823 -0.626 . . . . 11.89 110.421 179.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 90.24 9.41 65.33 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.718 -0.753 . . . . 8.65 111.756 -179.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 14.9 mm-40 -126.97 166.69 17.05 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.122 -0.325 . . . . 7.81 110.122 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 19.8 m80 -135.27 165.32 25.7 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.426 -0.583 . . . . 8.35 109.426 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 18.1 tp -62.48 -29.65 70.69 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.321 -0.399 . . . . 4.32 110.99 179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.89 -57.48 6.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.033 -0.53 . . . . 5.79 112.289 -179.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.58 -39.17 90.23 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 112.748 0.647 . . . . 6.75 112.748 -179.094 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.38 -45.88 94.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 120.903 0.382 . . . . 4.76 111.026 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 5.5 mp -69.51 -28.33 65.95 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.191 0.519 . . . . 5.48 110.953 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -69.82 -45.63 67.44 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.069 -0.514 . . . . 8.15 110.415 179.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 3.8 p -70.43 -40.13 73.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 6.84 110.468 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.16 114.71 3.59 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 109.536 -0.542 . . . . 6.55 109.536 178.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 6.5 m -130.83 127.58 38.91 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.238 -0.437 . . . . 8.4 111.687 -178.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 34.9 mmm-85 -124.19 142.31 51.34 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.907 -1.146 . . . . 10.77 107.907 178.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 21.8 t -113.28 107.25 53.91 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-O 120.731 0.301 . . . . 11.96 110.768 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -66.45 108.75 1.45 Allowed 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 123.062 2.508 . . . . 13.1 112.037 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . 0.408 ' C ' ' HG ' ' B' ' 92' ' ' SER . 3.3 tp10 -82.6 75.68 9.49 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.023 -0.535 . . . . 14.34 109.697 179.419 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 92' ' ' SER . . . . . 0.408 ' HG ' ' C ' ' B' ' 91' ' ' GLU . 21.1 m . . . . . 0 C--O 1.25 1.118 0 CA-C-O 118.13 -0.938 . . . . 16.55 110.243 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 59.1 t . . . . . 0 C--O 1.231 0.116 0 N-CA-C 109.304 -0.628 . . . . 9.99 109.304 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 21' ' ' HIS . . . . . . . . . . . . . 38.2 t60 -81.74 117.12 21.8 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.315 -0.402 . . . . 9.56 111.07 -178.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 22' ' ' LEU . . . . . . . . . . . . . 97.4 mt -124.73 147.8 48.43 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.017 0.437 . . . . 6.88 111.581 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 23' ' ' THR . . . . . . . . . . . . . 11.9 m -113.88 120.61 41.32 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.727 -0.67 . . . . 8.91 109.423 179.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 24' ' ' LEU . . . . . . . . . . . . . 39.8 mt -99.83 116.1 31.12 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.666 0.27 . . . . 8.66 110.299 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -131.15 132.3 44.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.249 -0.432 . . . . 14.0 111.417 -179.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 8.4 ttpp -96.26 127.84 42.62 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.432 -0.581 . . . . 14.52 109.432 178.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 27' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -78.66 -28.51 14.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 112.675 0.62 . . . . 14.88 112.675 -179.194 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.1 134.44 35.25 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 110.088 -0.338 . . . . 15.23 110.088 179.785 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.74 138.44 77.62 Favored Pre-proline 0 C--N 1.331 -0.238 0 O-C-N 123.316 0.385 . . . . 18.5 111.49 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 30' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -74.91 132.41 27.43 Favored 'Cis proline' 0 C--N 1.348 0.54 0 C-N-CA 123.177 -1.593 . . . . 17.48 112.012 -0.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 45.1 mtmt -83.9 92.89 7.9 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.033 -0.531 . . . . 17.92 111.512 -179.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 43.7 p90 -91.31 159.69 15.89 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 110.02 -0.363 . . . . 13.5 110.02 178.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 33' ' ' SER . . . . . . . . . . . . . 19.9 m -147.52 115.34 6.44 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.366 -0.379 . . . . 12.59 110.582 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 6.0 pt -131.1 144.03 39.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.135 -0.484 . . . . 10.72 110.722 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 35' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -117.71 138.81 51.76 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.223 -0.444 . . . . 10.54 110.411 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 36' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -153.25 163.86 39.14 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.376 -0.374 . . . . 10.1 110.809 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -106.75 127.6 53.52 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.93 -0.577 . . . . 9.77 109.792 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 38' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -114.18 -168.92 1.43 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.194 -0.457 . . . . 9.82 110.115 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.76 152.81 51.96 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.448 -0.342 . . . . 11.97 110.217 179.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -69.04 -18.78 40.24 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.521 2.147 . . . . 12.89 111.478 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.34 -5.01 59.34 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.718 -0.674 . . . . 14.73 110.915 179.721 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -86.59 154.86 20.73 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.191 -0.458 . . . . 11.77 110.261 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 21.8 p -109.9 175.68 5.35 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.277 -0.42 . . . . 11.41 109.952 179.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 45.7 mm -60.5 -28.33 42.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.192 0.52 . . . . 8.13 109.867 178.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 47.8 tp -62.23 -35.6 79.43 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.616 -0.72 . . . . 12.88 110.787 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 46' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -63.54 -37.78 88.64 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-N 116.364 -0.38 . . . . 12.59 110.86 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 61.7 mt -65.04 -42.96 95.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 109.492 -0.558 . . . . 8.04 109.492 178.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -61.67 -44.7 96.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.689 -0.687 . . . . 10.51 110.091 179.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -61.32 -42.1 98.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.696 -0.684 . . . . 14.34 109.915 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -63.98 -41.28 97.57 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.68 -0.691 . . . . 11.16 110.521 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 19.5 mt -59.73 -39.84 86.04 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 120.873 0.368 . . . . 12.37 111.572 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 52' ' ' ILE . . . . . . . . . . . . . 61.1 mt -67.81 -37.79 79.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 109.575 -0.528 . . . . 15.35 109.575 178.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 4.8 m -63.94 -31.59 72.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.004 -0.543 . . . . 15.02 111.0 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 54' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -86.56 9.35 18.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.466 -0.334 . . . . 14.38 110.674 179.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 56.31 44.38 24.8 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.762 -0.654 . . . . 18.85 112.358 179.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 32.7 mmtm -115.83 0.33 13.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.25 -0.432 . . . . 14.91 110.933 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -155.43 162.82 40.68 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.915 -0.584 . . . . 15.28 109.645 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 58' ' ' SER . . . . . . . . . . . . . 8.5 t -105.38 -58.82 1.85 Allowed 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.788 -0.365 . . . . 17.75 111.981 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 59' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -118.06 156.07 29.25 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.857 0.36 . . . . 19.98 111.944 -179.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 32.8 mm -65.0 -37.05 79.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.538 -0.755 . . . . 14.55 110.832 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.37 -14.55 63.02 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.751 -0.659 . . . . 14.99 112.755 -179.028 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -89.52 -19.89 24.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.806 0.336 . . . . 16.71 110.71 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 63' ' ' ILE . . . . . . . . . . . . . 11.4 mt -92.12 108.94 20.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 112.625 0.602 . . . . 11.09 112.625 -177.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 64' ' ' LYS . . . . . . . . . . . . . 70.0 tttt -118.54 109.0 15.67 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.825 -0.806 . . . . 10.01 108.825 177.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 80.9 mt -91.86 148.84 21.92 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.215 -0.448 . . . . 5.92 111.708 -178.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 3.3 mp -139.96 151.67 45.73 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.01 -0.541 . . . . 7.57 110.968 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 57.2 tp -139.77 110.97 6.98 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.999 -0.546 . . . . 7.44 109.79 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 59.96 27.84 17.28 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 116.148 -0.478 . . . . 13.3 111.497 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 99.28 -22.54 40.26 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.885 -0.674 . . . . 8.93 112.562 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.03 122.63 28.06 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.671 0.272 . . . . 9.68 110.736 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 71' ' ' VAL . . . . . . . . . . . . . 40.9 t -69.28 128.58 32.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.169 -0.469 . . . . 7.05 110.741 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 53.2 mt -90.17 108.73 19.92 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.053 -0.522 . . . . 5.9 110.272 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 73' ' ' HIS . . . . . . . . . . . . . 6.4 m170 -82.58 156.1 24.13 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.004 -0.544 . . . . 9.1 111.522 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -57.51 -32.36 66.95 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 113.049 0.759 . . . . 9.91 113.049 -178.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 75' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -77.72 -4.22 45.1 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.659 0.615 . . . . 13.96 112.659 -179.081 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 76' ' ' LEU . . . . . . . . . . . . . 28.0 tp -84.41 134.52 34.47 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.889 0.376 . . . . 9.58 110.737 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -89.44 152.36 21.52 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.784 -0.644 . . . . 14.32 110.313 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 23.2 mt -68.16 -15.33 63.54 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.208 -0.451 . . . . 9.58 111.185 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.01 -19.49 60.05 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.967 -0.56 . . . . 12.92 110.944 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 80' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.76 0.96 47.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.287 -0.415 . . . . 12.44 111.132 -179.609 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 33.8 mt -72.71 122.64 21.82 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.526 -0.306 . . . . 10.15 110.64 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 82' ' ' LYS . . . . . . . . . . . . . 27.6 mmtt -82.36 58.12 3.95 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.122 -0.49 . . . . 12.59 109.718 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 5.3 m -97.48 128.28 48.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.965 -0.561 . . . . 11.5 112.134 -179.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 84' ' ' THR . . . . . . . . . . . . . 58.5 p -125.26 175.11 3.28 Favored Pre-proline 0 C--N 1.319 -0.752 0 N-CA-C 107.845 -1.169 . . . . 13.96 107.845 179.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 85' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -55.63 -19.44 23.84 Favored 'Trans proline' 0 CA--C 1.533 0.446 0 C-N-CA 122.635 2.223 . . . . 14.91 112.932 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -87.37 -44.32 11.46 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.145 0.424 . . . . 15.11 112.145 -179.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 87' ' ' ASN . . . . . . . . . . . . . 29.1 p-10 -111.98 46.74 1.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.14 0.495 . . . . 12.37 112.135 -178.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.66 6.14 13.58 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.035 0.445 . . . . 10.56 111.318 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 89' ' ' THR . . . . . . . . . . . . . 6.3 m -101.33 123.45 45.45 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.121 -0.491 . . . . 9.87 111.249 -179.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 90' ' ' ILE . . . . . . . . . . . . . 45.8 mm -95.83 132.06 40.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.377 -0.601 . . . . 6.59 109.377 179.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 91' ' ' THR . . . . . . . . . . . . . 4.6 m -77.83 115.11 17.33 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.281 -0.418 . . . . 8.75 110.685 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 92' ' ' VAL . . . . . . . . . . . . . 38.8 t -99.46 109.02 23.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.29 -0.414 . . . . 9.58 111.231 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 93' ' ' MET . . . . . . . . . . . . . 21.4 mmm -106.49 122.58 46.58 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.322 -0.622 . . . . 10.9 109.322 178.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 94' ' ' ILE . . . . . . . . . . . . . 84.7 mt -120.41 118.45 56.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 120.83 0.348 . . . . 13.44 110.799 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 95' ' ' LYS . . . . . 0.449 ' HZ1' ' CG ' ' A' ' 52' ' ' ASP . 3.4 mmtp -151.0 142.71 15.63 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.111 -0.495 . . . . 14.95 110.856 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 96' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_exo -75.73 59.46 5.67 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 123.152 2.568 . . . . 17.56 112.279 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 10.5 t30 72.23 -82.24 0.0 OUTLIER Pre-proline 0 C--O 1.247 0.936 0 CA-C-O 118.293 -0.861 . . . . 18.17 112.205 179.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 98' ' ' PRO . . . . . 0.907 ' N ' HH22 ' A' ' 62' ' ' ARG . . . . . . . . 1 C--N 1.249 -4.699 0 O-C-N 122.615 0.797 . . . . 15.75 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.482 1.156 0 CA-C-O 120.637 0.256 . . . . 10.47 110.571 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 49.0 mtt -74.93 -69.57 0.46 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.012 0.434 . . . . 11.61 110.052 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.0 m -145.19 18.36 1.57 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.075 -0.511 . . . . 10.77 110.45 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 59.64 38.56 21.97 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.552 0.691 . . . . 8.18 109.472 -178.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.4 m -61.93 157.13 19.2 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 114.603 -1.18 . . . . 10.11 111.179 -179.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.7 mtmm -55.88 -42.0 75.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.463 -0.335 . . . . 11.15 111.271 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -65.26 -36.22 83.44 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.261 -0.427 . . . . 11.43 111.531 179.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -59.97 -44.53 94.4 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-O 121.385 0.612 . . . . 8.91 110.017 179.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 49.7 mt -76.92 -45.24 31.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.326 -0.852 . . . . 6.78 111.4 -179.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.72 -46.52 77.71 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.409 -0.359 . . . . 7.12 111.946 -179.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.72 -39.94 86.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.432 -0.349 . . . . 7.6 111.121 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 92.1 mt -69.07 -37.35 78.45 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.329 -0.396 . . . . 5.62 111.451 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 92.9 mt -65.23 -54.56 27.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 CA-C-N 116.245 -0.434 . . . . 4.53 111.452 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 20.8 m -64.43 -35.25 73.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.549 -0.296 . . . . 6.96 111.726 -179.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -66.02 -38.85 89.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.087 0.47 . . . . 7.61 110.068 179.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -62.52 -48.36 79.89 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.775 -0.648 . . . . 5.51 110.32 179.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -64.0 -38.06 89.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 6.35 110.878 179.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 49.3 m -64.18 -35.43 80.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 8.01 110.709 178.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.4 m -70.25 -31.7 69.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.122 0.487 . . . . 8.27 110.11 179.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 96.3 mt -65.35 -49.32 79.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.716 -0.674 . . . . 8.37 110.725 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 30.7 m -75.54 -20.05 15.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.581 -0.281 . . . . 9.63 111.577 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -63.8 -54.92 27.54 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.046 -0.525 . . . . 10.98 111.403 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.1 pttp -95.9 14.93 21.85 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.166 0.432 . . . . 11.09 112.166 -179.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.1 tttm 56.48 60.14 3.27 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.668 -0.696 . . . . 12.07 112.242 179.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 -82.51 -24.97 33.85 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.017 -0.538 . . . . 9.58 110.971 179.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 15.3 tt -119.91 160.71 20.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.017 -0.538 . . . . 9.5 110.662 -179.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -74.18 163.31 28.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.718 -0.219 . . . . 10.1 110.661 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.5 mp0 -55.86 -34.8 65.79 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.903 0.382 . . . . 11.9 111.239 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.422 ' CG ' ' HZ2' ' C' ' 70' ' ' LYS . 35.4 t70 -55.74 -37.96 69.16 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.618 -0.719 . . . . 10.3 111.174 179.555 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -88.51 -27.35 25.09 Favored Glycine 0 N--CA 1.447 -0.581 0 CA-C-N 115.783 -0.644 . . . . 8.75 111.618 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.48 -49.43 76.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.626 0.25 . . . . 8.42 111.268 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -62.65 -32.74 73.84 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.279 0.561 . . . . 9.73 110.484 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 13.3 m -68.27 -42.94 78.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.517 -0.765 . . . . 8.02 110.125 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 94.0 mt -69.9 -32.76 71.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.391 -0.368 . . . . 6.89 110.315 179.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 36.7 t30 -56.3 -50.07 72.46 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.61 -0.723 . . . . 9.79 111.154 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 6.6 p -75.46 -39.47 40.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.438 -0.346 . . . . 9.6 111.47 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.22 -47.32 86.64 Favored 'General case' 0 C--N 1.333 -0.123 0 N-CA-C 112.035 0.383 . . . . 7.62 112.035 -179.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 13.8 mtm -59.62 -36.67 76.79 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.956 0.354 . . . . 8.19 111.956 -179.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.15 -45.02 93.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.933 0.397 . . . . 11.12 110.406 179.433 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 57.0 m -67.7 -32.51 73.2 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.015 -0.539 . . . . 9.77 111.077 179.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 96.6 mt -70.78 -39.06 75.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 121.194 0.521 . . . . 9.06 109.74 178.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 25.2 m -62.95 -46.0 89.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.722 -0.672 . . . . 10.96 111.366 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -70.12 -24.32 63.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.936 0.398 . . . . 12.89 111.986 -179.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.3 -33.63 71.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 11.68 111.352 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -94.77 -24.0 17.28 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.327 -0.397 . . . . 11.93 111.792 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 96.32 45.6 2.75 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.667 -0.778 . . . . 13.13 113.228 179.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 30.0 p90 -149.97 159.88 44.05 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.839 -0.43 . . . . 12.01 109.839 179.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -97.55 144.57 27.1 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.812 0.339 . . . . 14.85 110.724 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 22.6 ttp180 -60.66 -28.96 68.99 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.243 0.544 . . . . 12.02 110.32 179.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -82.53 1.04 39.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.031 -0.531 . . . . 13.0 111.452 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -111.75 11.17 20.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.851 0.358 . . . . 12.82 111.487 -179.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.4 p -59.99 -40.7 83.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.46 -0.336 . . . . 10.88 111.139 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.1 -32.39 73.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.314 -0.403 . . . . 12.18 110.879 179.519 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -71.33 -42.01 57.85 Favored Glycine 0 N--CA 1.448 -0.526 0 N-CA-C 111.53 -0.628 . . . . 12.77 111.53 179.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 59.1 mt -65.53 -41.91 91.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.015 0.436 . . . . 11.54 110.336 179.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 97.3 mt -67.1 -27.79 67.64 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.109 -0.496 . . . . 10.42 111.172 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -73.12 -26.59 70.37 Favored Glycine 0 C--N 1.33 0.234 0 C-N-CA 121.096 -0.573 . . . . 12.46 112.711 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -95.75 -16.23 22.07 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.081 0.467 . . . . 14.49 110.855 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.0 m -96.32 163.66 12.98 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.134 -0.484 . . . . 10.83 110.605 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -87.6 51.69 2.29 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.07 0.462 . . . . 10.68 110.611 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -133.32 35.94 3.43 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.798 -0.637 . . . . 8.55 109.605 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm -57.84 107.38 0.45 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.306 -0.861 . . . . 13.32 112.055 -179.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 71.82 16.82 76.44 Favored Glycine 0 N--CA 1.453 -0.2 0 CA-C-N 115.703 -0.681 . . . . 9.82 113.406 179.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -104.15 144.5 31.49 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 122.687 -0.302 . . . . 9.22 110.679 -179.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 4.2 m80 -119.92 153.41 35.94 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.938 -0.393 . . . . 9.01 109.938 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 47.6 tp -53.13 -38.42 62.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.969 -0.56 . . . . 4.77 112.08 -179.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.87 -58.89 6.2 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.275 0.472 . . . . 5.96 112.275 -179.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -62.12 -38.83 90.43 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.424 0.527 . . . . 7.82 112.424 -179.328 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.88 -50.25 80.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.519 0.199 . . . . 5.79 110.89 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 16.1 tp -63.28 -36.92 85.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.114 0.483 . . . . 5.97 110.728 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -67.35 -25.02 65.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.76 -0.654 . . . . 9.81 111.043 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.9 m -93.48 3.48 55.49 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.923 0.392 . . . . 7.98 111.467 -179.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -105.99 85.26 2.18 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.085 0.469 . . . . 7.06 110.504 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.53 128.78 37.6 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.883 -0.599 . . . . 9.21 111.176 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -129.53 96.85 4.37 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.885 -0.598 . . . . 9.55 109.667 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 1.6 m -87.96 121.23 70.8 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 116.266 -0.425 . . . . 12.15 111.394 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -76.91 109.59 2.88 Favored 'Trans proline' 0 N--CA 1.461 -0.427 0 C-N-CA 122.767 2.312 . . . . 12.82 111.97 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -94.6 93.03 7.34 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.117 -0.492 . . . . 14.19 110.228 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.656 -0.688 . . . . 15.67 110.554 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 59.6 ttp . . . . . 0 N--CA 1.482 1.16 0 N-CA-C 111.579 0.215 . . . . 11.23 111.579 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 23.4 mmt -75.52 82.07 2.55 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.728 -0.471 . . . . 13.11 109.728 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 72.3 m 67.56 99.18 0.05 Allowed 'General case' 0 C--N 1.332 -0.177 0 O-C-N 123.808 0.693 . . . . 11.68 110.219 -178.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.99 95.81 0.01 OUTLIER 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.81 -0.632 . . . . 8.3 111.938 -179.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 14.4 m -96.14 160.32 14.5 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.412 -0.813 . . . . 9.28 109.989 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -53.72 -41.64 67.23 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.197 0.444 . . . . 8.73 112.197 -179.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -61.37 -44.89 96.4 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 111.844 0.313 . . . . 9.58 111.844 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -62.74 -42.53 99.71 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 120.92 0.39 . . . . 8.61 110.779 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 46.3 mt -70.15 -46.37 72.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.977 -0.556 . . . . 5.19 111.138 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.38 -42.48 77.93 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.189 -0.459 . . . . 4.42 111.673 -179.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.2 -40.38 81.43 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.119 -0.491 . . . . 5.79 110.983 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 80.4 mt -73.38 -36.92 66.13 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.195 -0.457 . . . . 4.52 111.135 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 90.6 mt -62.82 -51.8 67.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.419 -0.355 . . . . 4.37 110.802 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 29.3 m -66.91 -33.05 60.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.78 0.324 . . . . 6.25 111.072 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -66.5 -44.0 83.78 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.27 -0.423 . . . . 7.24 110.163 179.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -57.0 -49.74 74.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.707 -0.679 . . . . 7.41 110.591 179.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -61.21 -40.04 92.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.239 -0.437 . . . . 8.36 110.803 179.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 39.0 m -64.15 -43.55 94.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.034 -0.53 . . . . 9.5 110.548 179.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 48.8 m -66.01 -19.68 65.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.352 -0.385 . . . . 9.77 111.351 179.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 79.6 mt -81.95 -48.43 18.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.312 -0.404 . . . . 11.09 110.036 178.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 34.7 m -74.44 -33.76 34.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 113.043 0.757 . . . . 12.38 113.043 -178.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -65.4 -28.5 69.3 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 112.284 0.476 . . . . 13.19 112.284 -179.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -103.43 7.95 37.98 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.951 0.405 . . . . 13.7 110.493 179.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 53.37 47.42 24.22 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.542 -0.754 . . . . 16.11 112.658 179.781 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -70.96 -48.99 50.28 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.938 -0.574 . . . . 12.56 109.84 179.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 18.2 tt -98.83 153.51 4.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.091 -0.504 . . . . 13.67 109.827 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.28 153.48 43.57 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.689 -0.232 . . . . 15.14 110.598 179.741 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 38.6 mp0 -55.23 -30.95 61.04 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 122.874 0.47 . . . . 16.66 112.127 -179.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -58.92 -41.28 86.93 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.807 0.337 . . . . 15.52 110.618 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -92.07 -29.09 11.98 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.959 -0.639 . . . . 13.62 112.149 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.47 -33.14 74.26 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.757 0.313 . . . . 12.71 110.623 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . 0.424 ' CG ' ' HZ2' ' C' ' 25' ' ' LYS . 0.5 OUTLIER -59.39 -47.95 83.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.743 -0.662 . . . . 13.38 110.144 179.318 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 1.6 m -63.37 -39.96 95.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.682 -0.69 . . . . 11.95 110.802 179.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 89.8 mt -65.45 -37.12 85.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.887 0.375 . . . . 10.13 110.875 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -64.61 -48.57 74.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.975 -0.557 . . . . 11.27 111.426 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 27.3 m -69.16 -36.76 74.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 112.031 0.382 . . . . 10.04 112.031 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.44 -34.61 78.33 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.51 -0.552 . . . . 8.58 109.51 178.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 32.9 ttm -62.34 -35.95 80.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.366 -0.834 . . . . 7.93 110.002 178.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -64.07 -44.34 92.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.828 -0.624 . . . . 9.48 110.16 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 74.0 m -58.45 -43.67 88.91 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.773 -0.648 . . . . 8.46 110.628 179.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 88.6 mt -62.31 -46.43 96.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.888 -0.597 . . . . 6.23 110.056 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 13.7 m -62.14 -45.99 91.0 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.704 -0.68 . . . . 7.39 111.536 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -66.62 -41.34 88.5 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.373 -0.376 . . . . 8.81 111.919 -179.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.13 -35.96 82.48 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.56 0.578 . . . . 7.38 112.56 -179.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -88.36 -17.49 30.46 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.19 0.441 . . . . 8.09 112.19 -179.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.47 53.59 3.04 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.877 -0.677 . . . . 9.43 113.561 179.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 14.8 p90 -160.14 164.29 33.07 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 110.026 -0.361 . . . . 8.7 110.026 179.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -120.2 168.02 11.66 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.612 0.244 . . . . 11.16 110.893 179.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -62.54 -32.37 73.31 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.016 -0.538 . . . . 11.12 111.911 -179.078 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -72.13 -9.19 58.09 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.858 0.361 . . . . 11.8 111.898 -179.23 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -95.47 -10.03 30.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.367 -0.378 . . . . 10.53 111.385 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 5.5 p -60.27 -37.14 72.68 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 N-CA-C 112.181 0.437 . . . . 9.19 112.181 -178.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.21 -34.53 77.85 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.027 0.441 . . . . 10.94 110.876 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -82.02 -36.1 19.43 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.813 -0.708 . . . . 11.05 111.82 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 98.1 mt -65.76 -47.14 86.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 110.315 -0.254 . . . . 9.74 110.315 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 75.6 mt -60.54 -26.9 67.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.34 -0.391 . . . . 9.17 111.207 179.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -74.33 -41.2 38.51 Favored Glycine 0 N--CA 1.45 -0.429 0 N-CA-C 111.33 -0.708 . . . . 11.56 111.33 179.149 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 55.6 mttp -73.94 -45.72 48.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.098 0.475 . . . . 12.67 110.276 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 25.1 m -70.94 158.35 36.61 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.365 -0.834 . . . . 9.82 110.329 179.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -89.6 51.99 2.23 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.237 0.541 . . . . 10.24 111.524 -179.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -134.0 15.07 3.9 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.646 -0.707 . . . . 7.84 109.865 179.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 6.5 pttm -65.99 128.0 34.31 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.327 -0.851 . . . . 11.89 111.046 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 85.03 8.15 82.62 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.869 -0.681 . . . . 8.65 111.567 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -132.18 150.6 52.12 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.734 0.302 . . . . 7.81 110.255 -179.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 26.5 m80 -116.02 165.01 13.6 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.953 -0.758 . . . . 8.35 108.953 178.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 45.7 tp -55.16 -42.12 72.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.986 0.422 . . . . 4.32 111.857 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.82 -40.23 96.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 5.79 111.737 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -60.59 -52.41 65.26 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.001 0.429 . . . . 6.75 111.118 -179.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 19.7 mt -60.34 -44.56 96.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.613 -0.721 . . . . 4.76 111.459 -179.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 86.1 mt -71.13 -18.26 62.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.363 -0.38 . . . . 5.48 111.656 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -77.51 -45.68 24.75 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.429 -0.582 . . . . 8.15 109.429 178.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.25 -28.09 67.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.847 -0.615 . . . . 6.84 110.884 179.18 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -73.4 90.32 1.68 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.112 -0.495 . . . . 6.55 110.643 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 1.4 m -112.99 54.23 0.73 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.924 -0.58 . . . . 8.4 110.859 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 33.4 ttt180 -76.24 134.72 39.75 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.255 -0.646 . . . . 10.77 109.255 179.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 4.9 t -96.34 109.75 49.1 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 116.577 -0.283 . . . . 11.96 110.969 -179.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -75.2 132.2 14.9 Favored 'Trans proline' 0 C--O 1.236 0.411 0 C-N-CA 122.611 2.207 . . . . 13.1 111.423 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -85.06 126.66 33.76 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.977 0.418 . . . . 14.34 110.865 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 7.1 m . . . . . 0 C--O 1.251 1.175 0 CA-C-O 118.233 -0.889 . . . . 16.55 109.376 179.328 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 17.8 t . . . . . 0 C--O 1.233 0.219 0 CA-C-O 121.014 0.435 . . . . 9.99 110.702 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 21' ' ' HIS . . . . . . . . . . . . . 40.6 t60 -80.51 105.53 11.83 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.791 -0.64 . . . . 9.56 110.118 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 22' ' ' LEU . . . . . . . . . . . . . 86.8 mt -114.88 146.98 40.53 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.955 0.407 . . . . 6.88 111.893 -179.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 23' ' ' THR . . . . . . . . . . . . . 3.2 m -107.98 116.11 31.36 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.367 -0.833 . . . . 8.91 109.303 178.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 24' ' ' LEU . . . . . . . . . . . . . 35.5 mt -99.97 115.95 30.89 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.688 0.28 . . . . 8.66 110.601 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 25' ' ' LYS . . . . . 0.424 ' HZ2' ' CG ' ' B' ' 45' ' ' ASP . 6.7 tttt -130.34 132.53 45.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.326 -0.397 . . . . 14.0 112.052 -179.707 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 24.9 ttpp -91.79 138.49 31.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 14.52 110.018 178.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 27' ' ' ILE . . . . . . . . . . . . . 12.1 pt -78.03 -42.35 27.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 113.078 0.77 . . . . 14.88 113.078 -179.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 19.3 mp0 -83.21 137.82 33.88 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.994 -0.283 . . . . 15.23 111.395 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.65 145.44 98.94 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.044 -0.526 . . . . 18.5 111.342 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 30' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -70.82 137.3 45.56 Favored 'Cis proline' 0 C--N 1.347 0.449 0 C-N-CA 123.254 -1.561 . . . . 17.48 111.563 0.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 24.3 mttm -91.02 148.66 22.24 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.157 -0.474 . . . . 17.92 110.184 -179.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 43.3 p90 -147.31 150.16 34.23 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.685 -0.487 . . . . 13.5 109.685 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 33' ' ' SER . . . . . . . . . . . . . 42.5 m -133.38 90.29 2.71 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 120.931 0.396 . . . . 12.59 110.123 179.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 42.4 pt -103.71 144.24 14.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.192 -0.458 . . . . 10.72 110.446 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 35' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -119.91 156.42 30.79 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.634 0.254 . . . . 10.54 110.99 -179.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 36' ' ' HIS . . . . . . . . . . . . . 26.1 t60 -165.8 145.63 6.45 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.086 -0.506 . . . . 10.1 110.169 178.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -96.46 114.62 26.3 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.282 -0.417 . . . . 9.77 110.219 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 38' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -107.07 -173.95 2.42 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.397 -0.365 . . . . 9.82 110.973 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -110.31 150.2 41.24 Favored Pre-proline 0 C--N 1.328 -0.352 0 N-CA-C 109.837 -0.431 . . . . 11.97 109.837 179.699 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -65.61 -17.44 56.94 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 122.38 2.053 . . . . 12.89 112.213 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.91 -8.49 59.68 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.959 -0.564 . . . . 14.73 110.853 179.647 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -84.34 157.1 21.59 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.939 -0.573 . . . . 11.77 109.976 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 32.8 p -111.8 173.92 6.12 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.222 -0.445 . . . . 11.41 110.108 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 46.3 mm -58.74 -27.08 33.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.176 0.512 . . . . 8.13 110.38 179.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.14 -37.16 79.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.865 -0.607 . . . . 12.88 110.635 179.239 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 46' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -65.08 -36.74 85.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.011 0.434 . . . . 12.59 110.534 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 61.1 mt -65.92 -43.53 92.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.94 -0.573 . . . . 8.04 109.536 179.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -61.98 -43.95 97.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.946 -0.57 . . . . 10.51 109.953 178.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -60.94 -41.46 96.32 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.874 -0.603 . . . . 14.34 109.841 178.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -60.43 -42.21 95.61 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.734 -0.666 . . . . 11.16 110.491 179.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 43.9 mt -62.31 -35.52 79.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 12.37 110.768 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 52' ' ' ILE . . . . . . . . . . . . . 81.5 mt -70.1 -42.62 79.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.176 -0.465 . . . . 15.35 110.566 179.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 1.6 p -67.19 -24.45 65.86 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.89 0.376 . . . . 15.02 111.228 179.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 54' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -87.74 8.8 23.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.304 -0.407 . . . . 14.38 110.393 179.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 59.14 39.87 22.51 Favored 'General case' 0 C--N 1.334 -0.085 0 CA-C-N 115.781 -0.645 . . . . 18.85 112.079 179.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 27.9 mmtm -108.1 -15.72 14.44 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.905 -0.589 . . . . 14.91 110.538 179.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -151.77 174.77 13.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.06 -0.518 . . . . 15.28 109.828 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 58' ' ' SER . . . . . . . . . . . . . 74.1 m -120.86 -55.01 2.01 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.303 0.483 . . . . 17.75 112.303 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 59' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -107.8 158.93 16.9 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.941 0.4 . . . . 19.98 111.604 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 31.8 mm -70.85 -40.41 76.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.78 -0.645 . . . . 14.55 111.667 -179.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 1.5 m -69.45 -18.07 63.69 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.671 0.619 . . . . 14.99 112.671 -178.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -75.35 -25.19 57.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.859 0.362 . . . . 16.71 110.856 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 63' ' ' ILE . . . . . . . . . . . . . 5.8 mt -96.32 118.29 42.35 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 CA-C-N 115.765 -0.652 . . . . 11.09 112.171 -178.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 64' ' ' LYS . . . . . . . . . . . . . 64.1 tttt -120.35 106.55 11.97 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.164 -1.05 . . . . 10.01 108.164 177.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 76.7 mt -85.51 147.03 26.64 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.38 -0.373 . . . . 5.92 111.761 -178.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 4.3 mp -136.46 144.58 44.46 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.043 -0.526 . . . . 7.57 110.252 179.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 66.8 tp -141.28 113.79 8.21 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.427 -0.351 . . . . 7.44 110.182 179.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 57.3 38.63 28.65 Favored 'General case' 0 N--CA 1.465 0.283 0 O-C-N 123.646 0.591 . . . . 13.3 111.247 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 87.81 -24.9 9.37 Favored Glycine 0 N--CA 1.449 -0.469 0 CA-C-N 115.84 -0.618 . . . . 8.93 113.027 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 70' ' ' LYS . . . . . 0.422 ' HZ2' ' CG ' ' A' ' 42' ' ' ASP . 0.1 OUTLIER -82.96 119.3 24.26 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.813 0.339 . . . . 9.68 111.149 -179.576 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 71' ' ' VAL . . . . . . . . . . . . . 44.2 t -67.75 130.04 32.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.042 -0.526 . . . . 7.05 109.947 178.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 46.9 mt -91.05 126.02 36.02 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.069 -0.514 . . . . 5.9 110.14 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 73' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -101.99 157.29 16.97 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.034 -0.53 . . . . 9.1 111.145 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.55 -31.75 64.48 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.009 -0.541 . . . . 9.91 112.269 -178.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 75' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -85.96 30.83 0.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.493 0.553 . . . . 13.96 112.493 -178.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 76' ' ' LEU . . . . . . . . . . . . . 20.6 tp -119.98 134.84 55.12 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.812 -0.44 . . . . 9.58 109.812 179.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -85.72 154.81 21.38 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.231 -0.44 . . . . 14.32 110.521 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 14.8 mt -65.32 -25.45 67.62 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.079 0.4 . . . . 9.58 112.079 -179.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 79' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.73 -17.54 63.46 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.996 0.427 . . . . 12.92 111.2 179.527 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 80' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -87.78 -12.18 45.87 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 116.13 -0.486 . . . . 12.44 110.83 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 63.9 mt -69.53 126.33 29.43 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.075 -0.511 . . . . 10.15 110.868 -179.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 82' ' ' LYS . . . . . . . . . . . . . 67.9 mmtt -81.97 66.43 7.54 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.111 -0.495 . . . . 12.59 109.871 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 7.6 m -101.78 124.95 55.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 121.454 0.645 . . . . 11.5 111.874 -179.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 84' ' ' THR . . . . . . . . . . . . . 71.2 p -119.48 173.29 3.64 Favored Pre-proline 0 C--N 1.319 -0.728 0 N-CA-C 108.478 -0.934 . . . . 13.96 108.478 179.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 85' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -58.32 -22.79 59.64 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 121.981 1.787 . . . . 14.91 110.751 178.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -85.49 -57.22 3.15 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 115.534 -0.757 . . . . 15.11 110.933 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 87' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -109.38 86.03 2.21 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.582 0.586 . . . . 12.37 112.582 -179.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 88' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -115.25 9.49 15.76 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.45 0.643 . . . . 10.56 110.275 178.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 89' ' ' THR . . . . . . . . . . . . . 3.6 m -93.29 132.72 37.23 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.594 -0.73 . . . . 9.87 111.264 -179.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 90' ' ' ILE . . . . . . . . . . . . . 39.5 mm -104.48 132.66 50.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 109.301 -0.629 . . . . 6.59 109.301 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 91' ' ' THR . . . . . . . . . . . . . 18.9 m -78.6 117.77 20.08 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.502 -0.317 . . . . 8.75 110.56 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 92' ' ' VAL . . . . . . . . . . . . . 52.7 t -101.19 104.69 16.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.241 -0.436 . . . . 9.58 110.674 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 93' ' ' MET . . . . . . . . . . . . . 4.8 tmm? -107.0 118.04 35.64 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.734 -0.839 . . . . 10.9 108.734 178.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 94' ' ' ILE . . . . . . . . . . . . . 76.8 mt -118.79 126.99 75.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.874 0.368 . . . . 13.44 111.34 -179.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 95' ' ' LYS . . . . . . . . . . . . . 21.6 mmtp -135.75 129.47 18.34 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 115.916 -0.584 . . . . 14.95 109.705 179.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 96' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -64.78 142.94 78.53 Favored 'Trans proline' 0 C--O 1.235 0.344 0 C-N-CA 122.323 2.016 . . . . 17.56 111.732 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 4.8 t30 72.42 -85.25 0.0 OUTLIER Pre-proline 0 C--O 1.243 0.756 0 CA-C-O 118.398 -0.811 . . . . 18.17 111.177 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 98' ' ' PRO . . . . . . . . . . . . . . . . . . . . 1 C--N 1.251 -4.594 0 O-C-N 122.732 0.859 . . . . 15.75 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 48.4 ttm . . . . . 0 N--CA 1.479 1.009 0 CA-C-O 120.623 0.249 . . . . 10.47 111.56 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 24.8 mmt -79.25 -62.63 1.64 Allowed 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 121.008 -0.277 . . . . 11.61 111.023 -179.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.8 m -150.85 -35.37 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 111.962 0.356 . . . . 10.77 111.962 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 56.93 64.49 1.63 Allowed 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.304 0.573 . . . . 8.18 110.318 -179.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 m -64.55 169.98 4.39 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.321 -0.854 . . . . 10.11 112.575 -178.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 39.0 mmtm -53.77 -46.88 71.1 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.706 -0.679 . . . . 11.15 111.96 -179.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.4 pm0 -67.12 -35.34 79.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.354 -0.385 . . . . 11.43 111.917 -179.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -65.11 -43.11 93.07 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.138 0.494 . . . . 8.91 110.325 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 63.9 mt -69.31 -43.99 80.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.834 -0.621 . . . . 6.78 109.966 179.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.47 -35.57 78.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.895 -0.593 . . . . 7.12 111.133 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.0 -41.6 92.43 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.877 -0.601 . . . . 7.6 110.451 179.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 25.3 mt -70.94 -32.6 69.56 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.298 -0.41 . . . . 5.62 111.05 179.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 91.4 mt -64.5 -52.18 58.46 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-N 116.069 -0.514 . . . . 4.53 110.111 179.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.2 m -67.09 -33.91 66.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.973 0.416 . . . . 6.96 110.715 179.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -63.94 -38.98 93.06 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.937 -0.574 . . . . 7.61 109.521 178.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -62.34 -52.14 64.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.802 -0.636 . . . . 5.51 110.03 179.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -57.01 -42.92 81.2 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.092 -0.504 . . . . 6.35 110.728 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.4 m -62.6 -44.21 96.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.944 -0.571 . . . . 8.01 110.821 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 17.3 m -63.01 -34.95 78.65 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.338 -0.392 . . . . 8.27 111.239 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 84.2 mt -63.28 -46.42 95.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.498 -0.319 . . . . 8.37 110.66 179.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 5.3 m -72.09 -18.43 19.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 112.149 0.425 . . . . 9.63 112.149 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -71.43 -35.95 71.11 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.109 0.481 . . . . 10.98 110.476 179.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.8 pttt -105.55 6.91 32.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.953 -0.567 . . . . 11.09 111.119 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 52.4 45.88 27.7 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 115.795 -0.639 . . . . 12.07 111.45 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -80.21 9.32 5.82 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.994 -0.548 . . . . 9.58 111.706 -179.39 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 9.5 tp -147.87 157.67 8.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.217 -0.66 . . . . 9.5 109.217 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.56 151.16 45.32 Favored 'General case' 0 N--CA 1.451 -0.405 0 O-C-N 123.117 0.26 . . . . 10.1 110.434 179.73 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -52.93 -42.52 65.49 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.435 -0.348 . . . . 11.9 111.55 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.59 -39.01 86.52 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.157 -0.474 . . . . 10.3 111.192 179.648 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.12 -43.0 49.54 Favored Glycine 0 N--CA 1.447 -0.584 0 N-CA-C 110.932 -0.867 . . . . 8.75 110.932 179.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.6 -37.16 80.48 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.115 0.483 . . . . 8.42 109.996 179.044 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -59.66 -48.73 80.53 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.327 -0.851 . . . . 9.73 109.92 178.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 50.8 m -65.92 -37.45 86.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.88 -0.6 . . . . 8.02 111.281 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 63.6 mt -65.38 -36.68 84.72 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.811 0.339 . . . . 6.89 111.003 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 -68.69 -43.6 75.73 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.053 -0.521 . . . . 9.79 111.811 -179.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.6 m -65.69 -36.71 78.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 120.895 0.378 . . . . 9.6 111.062 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.59 -38.85 74.06 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.99 -0.55 . . . . 7.62 109.64 179.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 30.5 ttm -58.49 -43.03 88.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.506 -0.77 . . . . 8.19 110.403 179.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -61.54 -39.83 92.49 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.96 -0.564 . . . . 11.12 110.751 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 34.9 m -67.61 -32.55 73.35 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.122 -0.49 . . . . 9.77 111.425 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.87 -43.11 98.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 9.06 110.491 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.33 -45.01 88.92 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.858 -0.61 . . . . 10.96 111.053 179.682 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -65.89 -36.66 84.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.912 -0.585 . . . . 12.89 111.108 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.76 -49.86 69.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 11.68 112.222 -179.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -81.21 -12.86 59.05 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.274 0.472 . . . . 11.93 112.274 -179.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 77.11 49.83 7.25 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.696 -0.764 . . . . 13.13 113.175 179.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 24.4 p90 -146.6 152.11 38.39 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.663 -0.495 . . . . 12.01 109.663 179.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -74.92 135.28 41.45 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.875 0.369 . . . . 14.85 110.982 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 10.4 ttp180 -58.64 -42.42 88.26 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.875 -0.602 . . . . 12.02 110.926 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 29.0 mp0 -81.38 3.92 22.64 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.042 -0.527 . . . . 13.0 111.746 -179.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -102.26 8.51 40.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.173 0.511 . . . . 12.82 110.606 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.3 p -58.99 -39.8 79.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.497 -0.774 . . . . 10.88 111.606 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -64.77 -36.93 85.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.817 0.342 . . . . 12.18 110.997 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -64.0 -42.17 98.32 Favored Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 111.642 -0.583 . . . . 12.77 111.642 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 60.4 mt -70.11 -52.52 29.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 110.046 -0.353 . . . . 11.54 110.046 179.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 27.2 mt -57.0 -35.12 68.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 10.42 112.114 -179.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -58.66 -28.5 62.83 Favored Glycine 0 CA--C 1.519 0.331 0 C-N-CA 121.283 -0.484 . . . . 12.46 113.326 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -108.99 13.26 24.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.029 0.443 . . . . 14.49 110.812 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 46.6 m -103.57 166.43 10.43 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.096 -0.502 . . . . 10.83 110.71 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -74.31 -21.92 59.5 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.152 -0.476 . . . . 10.68 110.876 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -93.62 34.64 1.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.994 -0.548 . . . . 8.55 111.34 -179.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -79.12 135.37 36.82 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.345 -0.389 . . . . 13.32 111.258 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 75.0 17.5 80.26 Favored Glycine 0 N--CA 1.449 -0.472 0 CA-C-N 115.752 -0.658 . . . . 9.82 112.465 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -125.07 170.59 11.03 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 110.147 -0.316 . . . . 9.22 110.147 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 24.8 m80 -130.61 154.34 47.96 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.028 -0.73 . . . . 9.01 109.028 179.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 20.4 tp -59.46 -27.93 66.53 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.963 0.411 . . . . 4.77 111.11 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.09 -59.43 3.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.082 -0.508 . . . . 5.96 111.905 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.81 -40.86 94.31 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 112.898 0.703 . . . . 7.82 112.898 -179.114 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 86.8 mt -61.25 -48.26 89.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 120.745 0.307 . . . . 5.79 111.344 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.9 mp -71.07 -27.77 63.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.284 -0.416 . . . . 5.97 111.738 -179.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -73.56 -33.02 64.47 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.154 0.502 . . . . 9.81 110.462 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.8 m -82.12 -10.79 59.06 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.921 -0.582 . . . . 7.98 110.918 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -77.66 93.61 4.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.911 -0.586 . . . . 7.06 110.411 179.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.77 113.71 7.28 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.68 -0.691 . . . . 9.21 111.006 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -125.56 112.85 16.67 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.116 -0.493 . . . . 9.55 109.917 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 16.0 t -101.6 120.95 52.97 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 116.19 -0.459 . . . . 12.15 110.379 -179.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -70.09 87.59 0.59 Allowed 'Trans proline' 0 C--O 1.234 0.318 0 C-N-CA 122.554 2.169 . . . . 12.82 111.968 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -80.41 73.26 7.3 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.924 -0.58 . . . . 14.19 110.725 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.252 1.194 0 CA-C-O 118.58 -0.724 . . . . 15.67 110.124 179.906 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' MET . . . . . 0.403 ' H2 ' ' CD ' ' B' ' 73' ' ' GLU . 34.6 ttp . . . . . 0 N--CA 1.484 1.234 0 CA-C-O 120.309 0.1 . . . . 11.23 110.938 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 22.7 mmt -61.79 94.03 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.549 -0.296 . . . . 13.11 110.388 179.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 15.2 m 61.35 75.61 0.4 Allowed 'General case' 0 C--O 1.232 0.142 0 O-C-N 123.653 0.596 . . . . 11.68 109.861 -178.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -41.66 100.34 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.406 0 O-C-N 123.984 0.803 . . . . 8.3 112.643 -179.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 1.3 m -84.77 166.53 16.88 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.175 -0.92 . . . . 9.28 111.2 -179.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 1.1 mppt? -59.05 -42.17 89.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.075 -0.512 . . . . 8.73 111.376 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 7.4 pm0 -65.55 -36.64 84.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.478 -0.328 . . . . 9.58 111.595 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -61.88 -49.54 75.82 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 120.997 0.427 . . . . 8.61 110.114 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 67.8 mt -68.55 -40.98 82.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.509 -0.769 . . . . 5.19 111.0 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.95 -41.96 88.69 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.266 -0.424 . . . . 4.42 111.126 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.4 -40.21 93.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.05 -0.523 . . . . 5.79 110.557 179.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 87.5 mt -70.04 -34.16 72.88 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.198 -0.455 . . . . 4.52 110.696 179.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 96.0 mt -64.63 -52.42 54.97 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 CA-C-N 116.031 -0.531 . . . . 4.37 110.58 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 16.9 m -66.35 -32.95 60.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.447 -0.342 . . . . 6.25 110.893 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -64.94 -40.97 95.85 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.413 -0.588 . . . . 7.24 109.413 178.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -61.44 -49.97 74.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.574 -0.739 . . . . 7.41 110.306 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -62.79 -40.5 97.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 8.36 110.919 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 50.4 m -62.98 -36.1 82.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.401 -0.363 . . . . 9.5 110.681 179.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 44.7 m -69.84 -25.66 63.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 9.77 110.754 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 95.5 mt -78.99 -44.59 24.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.304 -0.407 . . . . 11.09 110.771 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 34.1 m -74.45 -31.31 27.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 113.229 0.826 . . . . 12.38 113.229 -178.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -58.78 -39.73 81.92 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.448 0.536 . . . . 13.19 112.448 -179.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 14.2 pttm -111.1 19.16 18.69 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.9 0.381 . . . . 13.7 111.34 -179.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 78.0 tttt 43.7 70.35 0.32 Allowed 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 113.929 1.085 . . . . 16.11 113.929 179.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -86.42 -10.11 54.94 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.298 0.57 . . . . 12.56 109.938 178.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 20.1 tt -137.27 152.32 27.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.481 -0.781 . . . . 13.67 109.978 -179.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.41 163.8 20.06 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.649 -0.25 . . . . 15.14 111.309 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 49.7 mp0 -57.74 -29.66 64.95 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 116.501 -0.318 . . . . 16.66 111.779 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.36 -27.87 62.67 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.417 -0.356 . . . . 15.52 111.013 179.598 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -108.45 -39.53 1.76 Allowed Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.971 -0.633 . . . . 13.62 111.781 178.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.82 -50.93 71.46 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.427 0.529 . . . . 12.71 112.427 -179.301 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . 0.453 ' CG ' ' HZ2' ' C' ' 25' ' ' LYS . 1.1 t70 -60.78 -30.97 70.36 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.445 0.641 . . . . 13.38 111.264 -179.464 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 1.5 m -73.82 -21.83 60.0 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.774 -0.648 . . . . 11.95 110.85 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 95.3 mt -80.47 -27.7 37.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.097 -0.502 . . . . 10.13 110.893 179.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -57.86 -43.95 86.26 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.161 -0.472 . . . . 11.27 111.004 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 13.6 p -79.43 -30.28 13.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.998 0.428 . . . . 10.04 110.717 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.19 -47.74 78.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.164 -0.471 . . . . 8.58 110.883 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 68.1 mtm -61.56 -36.17 79.86 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.14 -0.482 . . . . 7.93 110.774 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -60.54 -48.59 81.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.853 -0.612 . . . . 9.48 109.894 179.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 36.7 m -62.38 -39.82 94.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.58 -0.736 . . . . 8.46 110.97 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 97.8 mt -63.43 -39.49 85.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.3 -0.409 . . . . 6.23 110.458 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 19.4 m -59.23 -48.14 82.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.847 -0.615 . . . . 7.39 111.194 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -73.56 -25.89 60.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.281 -0.418 . . . . 8.81 111.462 -179.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.1 -43.51 87.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.267 -0.424 . . . . 7.38 111.935 -179.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -91.66 -11.82 35.93 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.966 0.412 . . . . 8.09 111.415 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.09 51.39 5.05 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.776 -0.726 . . . . 9.43 112.808 179.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 36.9 p90 -139.54 147.33 41.06 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.83 0.348 . . . . 8.7 110.775 179.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -73.25 136.46 44.62 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.986 -0.552 . . . . 11.16 110.846 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 18.5 ttp180 -66.73 -27.77 67.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.204 0.526 . . . . 11.12 110.098 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -89.73 6.94 39.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.795 -0.639 . . . . 11.8 110.838 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -111.73 17.23 20.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.415 -0.357 . . . . 10.53 111.093 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 3.2 p -58.94 -46.45 91.44 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-N 116.247 -0.433 . . . . 9.19 111.844 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 1.2 m -69.25 -24.34 63.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.058 0.456 . . . . 10.94 110.603 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -69.0 -41.16 82.99 Favored Glycine 0 N--CA 1.446 -0.64 0 N-CA-C 111.332 -0.707 . . . . 11.05 111.332 179.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 56.1 mt -69.95 -45.17 77.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 109.766 -0.457 . . . . 9.74 109.766 179.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 96.9 mt -62.91 -31.18 72.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.948 -0.569 . . . . 9.17 110.627 179.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -77.66 -21.04 72.96 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.83 -0.7 . . . . 11.56 111.652 179.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 17.0 tttp -85.33 -59.88 2.19 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.792 0.33 . . . . 12.67 110.218 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 1.2 m -71.0 166.85 20.46 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.074 -0.512 . . . . 9.82 110.549 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.403 ' CD ' ' H2 ' ' B' ' 14' ' ' MET . 1.0 OUTLIER -80.65 44.61 0.73 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.019 0.438 . . . . 10.24 111.253 179.887 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -121.09 14.61 11.45 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.078 0.466 . . . . 7.84 110.889 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.64 130.35 42.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.984 -0.553 . . . . 11.89 110.669 179.788 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 76.0 20.63 77.48 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.927 -0.654 . . . . 8.65 112.494 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 -132.19 130.7 41.38 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.765 0.317 . . . . 7.81 110.851 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 30.5 m80 -104.91 159.12 16.05 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.031 -0.729 . . . . 8.35 109.031 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 35.1 tp -55.62 -40.81 72.62 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.477 -0.329 . . . . 4.32 111.827 -179.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.5 -45.17 94.24 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.343 -0.39 . . . . 5.79 111.503 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -59.9 -56.18 24.88 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 116.163 -0.471 . . . . 6.75 110.596 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 80.2 mt -56.08 -50.82 67.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.174 -0.921 . . . . 4.76 112.3 -179.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 10.9 tp -59.15 -41.35 88.12 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.779 0.659 . . . . 5.48 112.779 -178.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -72.48 -30.72 64.79 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 111.857 0.317 . . . . 8.15 111.857 -179.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 27.1 p -80.83 -39.34 26.74 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.866 0.321 . . . . 6.84 111.866 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -98.35 68.72 1.91 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.158 0.504 . . . . 6.55 111.457 -179.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 1.4 m -108.6 144.22 36.6 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.158 -0.474 . . . . 8.4 110.259 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 53.1 mtp180 -106.31 157.34 17.67 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.571 0.225 . . . . 10.77 110.773 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 42.7 t -91.42 120.12 68.41 Favored Pre-proline 0 C--N 1.325 -0.497 0 N-CA-C 109.563 -0.532 . . . . 11.96 109.563 179.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.88 60.58 6.11 Favored 'Trans proline' 0 C--O 1.234 0.285 0 C-N-CA 122.948 2.432 . . . . 13.1 112.437 -179.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -65.96 103.67 0.98 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.053 -0.521 . . . . 14.34 110.577 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 6.2 m . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.241 -0.885 . . . . 16.55 110.244 -179.583 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 56.9 t . . . . . 0 C--O 1.231 0.113 0 N-CA-C 109.814 -0.439 . . . . 9.99 109.814 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 21' ' ' HIS . . . . . . . . . . . . . 67.6 t60 -89.54 114.83 26.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.331 -0.395 . . . . 9.56 110.956 -179.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 22' ' ' LEU . . . . . . . . . . . . . 95.9 mt -118.56 153.94 33.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.317 -0.401 . . . . 6.88 111.514 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 23' ' ' THR . . . . . . . . . . . . . 23.1 m -115.71 123.07 47.37 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.262 -0.644 . . . . 8.91 109.262 179.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 24' ' ' LEU . . . . . . . . . . . . . 25.1 mt -101.87 121.89 42.97 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.826 0.346 . . . . 8.66 111.55 -179.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 25' ' ' LYS . . . . . 0.453 ' HZ2' ' CG ' ' B' ' 45' ' ' ASP . 19.5 tptm -127.98 117.61 22.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.047 -0.524 . . . . 14.0 110.529 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 25.5 ttpp -90.91 140.69 29.58 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.425 -0.352 . . . . 14.52 111.522 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 27' ' ' ILE . . . . . . . . . . . . . 62.9 mt -86.24 -47.61 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.024 -0.534 . . . . 14.88 111.152 179.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 23.6 mp0 -65.15 133.89 52.56 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.792 0.329 . . . . 15.23 110.897 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.29 142.39 94.67 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 116.002 -0.544 . . . . 18.5 111.019 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 30' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -76.46 135.86 41.81 Favored 'Cis proline' 0 C--O 1.234 0.324 0 C-N-CA 123.454 -1.478 . . . . 17.48 111.51 -0.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -76.17 127.6 33.25 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.145 -0.479 . . . . 17.92 110.712 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -122.34 154.68 37.33 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.173 -0.467 . . . . 13.5 110.168 179.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 33' ' ' SER . . . . . . . . . . . . . 2.2 m -140.87 103.57 4.52 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.125 -0.489 . . . . 12.59 109.978 179.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 46.9 pt -123.26 153.59 28.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.407 -0.36 . . . . 10.72 110.84 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 35' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -121.02 138.14 54.31 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.243 -0.435 . . . . 10.54 110.355 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 36' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -153.4 151.18 29.62 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.879 0.371 . . . . 10.1 111.062 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -98.03 134.06 41.65 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.597 -0.729 . . . . 9.77 110.353 179.733 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 38' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -127.31 -179.02 4.67 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.001 -0.74 . . . . 9.82 109.001 179.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 2.5 m -108.38 150.73 40.96 Favored Pre-proline 0 C--N 1.325 -0.494 0 C-N-CA 121.178 -0.209 . . . . 11.97 110.512 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_exo -66.53 -17.81 53.6 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.718 2.279 . . . . 12.89 110.907 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.38 -15.66 54.57 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.393 -0.821 . . . . 14.73 111.083 179.69 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -80.99 163.76 23.03 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.311 -0.404 . . . . 11.77 110.611 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 77.2 p -111.33 173.85 6.15 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.268 -0.423 . . . . 11.41 110.555 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 42.6 mm -63.27 -27.67 43.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.257 0.551 . . . . 8.13 109.865 178.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 53.8 tp -59.8 -38.97 83.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.504 -0.771 . . . . 12.88 110.72 179.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 46' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -61.61 -38.41 87.51 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.213 -0.448 . . . . 12.59 111.459 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 53.8 mt -63.92 -43.12 97.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 109.694 -0.484 . . . . 8.04 109.694 179.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 48' ' ' LYS . . . . . 0.4 ' HZ1' ' CG ' ' C' ' 74' ' ' ASP . 94.0 mttt -63.39 -44.25 95.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.587 -0.733 . . . . 10.51 110.082 179.192 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -62.25 -35.35 78.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.798 -0.637 . . . . 14.34 110.666 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -72.69 -29.35 63.33 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.826 -0.624 . . . . 11.16 111.435 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 65.7 mt -65.07 -34.36 78.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.934 0.397 . . . . 12.37 110.996 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 52' ' ' ILE . . . . . . . . . . . . . 40.8 mt -69.52 -38.23 76.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.012 -0.54 . . . . 15.35 110.529 179.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 1.4 p -70.66 -19.45 62.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.834 0.35 . . . . 15.02 111.341 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 54' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -93.81 7.44 44.88 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.464 -0.334 . . . . 14.38 110.374 179.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 61.39 38.06 16.41 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.693 -0.685 . . . . 18.85 111.859 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -118.08 7.32 12.18 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.92 -0.582 . . . . 14.91 111.148 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -162.47 171.49 16.99 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.161 -0.472 . . . . 15.28 110.483 -179.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 58' ' ' SER . . . . . . . . . . . . . 1.1 t -122.52 -63.99 1.23 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.512 -0.313 . . . . 17.75 110.807 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 59' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 -113.02 149.69 32.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.852 0.358 . . . . 19.98 111.048 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 39.4 mm -63.79 -33.8 64.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.945 -0.57 . . . . 14.55 111.661 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.55 -13.08 62.14 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.575 0.584 . . . . 14.99 112.575 -178.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -94.92 -11.06 29.33 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.98 0.419 . . . . 16.71 111.316 -178.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 63' ' ' ILE . . . . . . . . . . . . . 19.7 mt -94.17 105.12 16.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 112.666 0.617 . . . . 11.09 112.666 -178.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 64' ' ' LYS . . . . . . . . . . . . . 31.9 mtmt -102.45 108.44 19.75 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.932 -0.766 . . . . 10.01 108.932 178.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 61.6 mt -97.68 135.62 39.22 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.628 0.251 . . . . 5.92 110.717 -179.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 5.6 mt -132.4 152.8 51.33 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.217 -0.447 . . . . 7.57 110.678 -179.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 55.0 tp -139.23 106.17 5.43 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.705 -0.48 . . . . 7.44 109.705 178.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 58.0 32.31 21.8 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.236 0.541 . . . . 13.3 110.997 -179.52 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 95.8 -8.85 68.4 Favored Glycine 0 N--CA 1.446 -0.68 0 CA-C-N 115.725 -0.671 . . . . 8.93 112.966 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 70' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.62 126.23 34.83 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.63 0.215 . . . . 9.68 111.389 -179.605 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 71' ' ' VAL . . . . . . . . . . . . . 70.5 t -72.33 112.44 8.03 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 N-CA-C 109.238 -0.653 . . . . 7.05 109.238 178.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 81.4 mt -72.52 108.61 5.67 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.979 -0.555 . . . . 5.9 111.078 -179.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 73' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -68.5 141.97 55.42 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.194 -0.912 . . . . 9.1 110.462 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 74' ' ' ASP . . . . . 0.4 ' CG ' ' HZ1' ' C' ' 48' ' ' LYS . 2.0 m-20 -56.68 -38.28 72.04 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 112.516 0.562 . . . . 9.91 112.516 -178.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 75' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -91.09 13.15 17.69 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.955 0.354 . . . . 13.96 111.955 -179.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 76' ' ' LEU . . . . . . . . . . . . . 40.9 tp -83.05 133.77 35.06 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.725 -0.472 . . . . 9.58 109.725 179.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -84.15 148.37 26.8 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.093 -0.503 . . . . 14.32 110.874 -179.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 26.5 mt -68.84 -14.81 63.26 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.992 -0.549 . . . . 9.58 111.623 -179.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.08 -7.32 55.51 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.306 -0.406 . . . . 12.92 111.482 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 80' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -109.15 -0.3 19.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.022 0.439 . . . . 12.44 110.897 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 37.1 mt -66.17 126.61 29.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.472 . . . . 10.15 111.28 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 82' ' ' LYS . . . . . . . . . . . . . 41.3 mmtm -82.47 65.19 7.48 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.015 -0.538 . . . . 12.59 109.93 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 14.5 m -104.93 144.63 14.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.169 -0.469 . . . . 11.5 111.215 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 84' ' ' THR . . . . . . . . . . . . . 32.6 p -132.48 167.46 22.46 Favored Pre-proline 0 C--N 1.32 -0.678 0 N-CA-C 108.662 -0.866 . . . . 13.96 108.662 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 85' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -58.49 -23.73 65.76 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.594 2.196 . . . . 14.91 111.704 179.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -81.45 -40.02 23.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.242 -0.435 . . . . 15.11 111.3 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 87' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -131.38 101.74 5.67 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.631 0.604 . . . . 12.37 112.631 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 88' ' ' SER . . . . . . . . . . . . . 18.9 m -123.02 17.18 10.05 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.988 -0.745 . . . . 10.56 108.988 178.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 89' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.95 125.83 34.73 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.147 -0.933 . . . . 9.87 111.448 -179.259 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 90' ' ' ILE . . . . . . . . . . . . . 46.9 mm -98.4 129.43 48.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 109.117 -0.697 . . . . 6.59 109.117 179.118 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 91' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -80.52 112.09 17.55 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.098 -0.501 . . . . 8.75 110.399 -179.7 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 92' ' ' VAL . . . . . . . . . . . . . 31.6 t -102.51 114.89 43.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 116.107 -0.497 . . . . 9.58 111.015 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 93' ' ' MET . . . . . . . . . . . . . 2.6 mtm -120.16 120.84 37.34 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.613 -0.514 . . . . 10.9 109.613 178.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 94' ' ' ILE . . . . . . . . . . . . . 80.7 mt -119.57 119.06 59.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.151 0.501 . . . . 13.44 111.929 -178.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 95' ' ' LYS . . . . . . . . . . . . . 70.8 mttt -129.24 139.45 35.72 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 115.344 -0.844 . . . . 14.95 109.324 179.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 96' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -71.26 128.83 15.16 Favored 'Trans proline' 0 C--O 1.235 0.367 0 C-N-CA 122.263 1.975 . . . . 17.56 112.371 -179.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 4.7 t30 70.45 -79.99 0.0 OUTLIER Pre-proline 0 C--O 1.248 0.99 0 CA-C-O 118.584 -0.722 . . . . 18.17 111.499 179.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 98' ' ' PRO . . . . . . . . . . . . . . . . . . . . 1 C--N 1.248 -4.74 0 O-C-N 122.701 0.842 . . . . 15.75 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.4 tmt? . . . . . 0 N--CA 1.478 0.964 0 N-CA-C 110.441 -0.207 . . . . 10.47 110.441 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 14.8 mmt -69.22 -49.94 51.84 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.159 0.504 . . . . 11.61 110.461 -179.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.5 m -150.45 -15.26 0.24 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.857 -0.61 . . . . 10.77 110.686 178.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 63.4 44.51 5.39 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 109.035 -0.728 . . . . 8.18 109.035 -178.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.67 176.91 4.44 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 114.624 -1.171 . . . . 10.11 110.503 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.0 mtmt -53.11 -40.8 64.43 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.199 0.444 . . . . 11.15 112.199 -179.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.9 pm0 -71.17 -36.56 72.05 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.164 0.431 . . . . 11.43 112.164 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -64.94 -35.21 80.43 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.164 0.507 . . . . 8.91 110.862 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 49.4 mt -85.55 -44.39 17.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.885 -0.598 . . . . 6.78 112.163 -179.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.37 -43.21 64.55 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 112.368 0.507 . . . . 7.12 112.368 -178.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.83 -41.98 88.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.138 -0.483 . . . . 7.6 111.406 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 86.7 mt -73.86 -34.1 64.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.335 -0.393 . . . . 5.62 111.736 -179.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 84.1 mt -61.44 -53.66 45.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.954 0.407 . . . . 4.53 111.011 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 30.1 m -67.17 -34.19 67.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.384 -0.371 . . . . 6.96 111.362 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -66.71 -35.3 79.79 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.036 0.446 . . . . 7.61 109.93 179.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -60.48 -51.37 69.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.862 -0.608 . . . . 5.51 110.039 179.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -62.52 -38.8 91.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.046 -0.524 . . . . 6.35 110.458 179.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.1 m -62.06 -41.72 98.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.043 -0.526 . . . . 8.01 110.579 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 18.2 m -62.63 -36.48 82.93 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.083 -0.508 . . . . 8.27 110.842 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 69.6 mt -69.85 -47.55 69.1 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 CA-C-N 115.987 -0.551 . . . . 8.37 111.402 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 34.6 m -69.74 -31.73 49.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 113.166 0.802 . . . . 9.63 113.166 -179.022 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -61.5 -40.65 95.36 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.867 0.321 . . . . 10.98 111.867 -179.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 32.7 pttt -96.85 6.13 49.25 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.595 -0.275 . . . . 11.09 111.303 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 39.5 tttm 54.2 47.38 23.27 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 115.905 -0.588 . . . . 12.07 111.125 -179.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -82.79 -4.76 58.4 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.492 0.663 . . . . 9.58 109.73 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 17.8 tt -121.96 156.38 26.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.252 -0.885 . . . . 9.5 109.085 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.2 m -76.33 156.14 33.58 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 110.418 -0.216 . . . . 10.1 110.418 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -54.29 -32.49 56.52 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 116.65 -0.25 . . . . 11.9 111.645 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -63.43 -43.55 97.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.377 -0.374 . . . . 10.3 110.772 179.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.04 -39.74 53.07 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.97 -0.633 . . . . 8.75 111.58 179.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.96 -33.83 76.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.16 0.505 . . . . 8.42 110.105 179.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -58.77 -49.0 79.28 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.346 -0.843 . . . . 9.73 110.083 179.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.5 m -69.51 -27.77 65.47 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.838 -0.619 . . . . 8.02 111.162 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 45.5 mt -67.84 -28.99 68.03 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.23 0.456 . . . . 6.89 112.23 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -58.88 -40.26 83.85 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.982 0.42 . . . . 9.79 110.918 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.7 p -87.82 -31.83 5.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.302 -0.408 . . . . 9.6 110.852 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.04 -48.83 78.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 7.62 110.755 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 43.1 ttm -63.46 -37.05 85.8 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.133 0.492 . . . . 8.19 110.242 179.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -64.67 -43.5 93.37 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.557 -0.747 . . . . 11.12 110.42 179.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 12.7 m -68.61 -33.07 73.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.035 -0.53 . . . . 9.77 111.872 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 96.6 mt -67.13 -39.31 82.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 108.484 -0.932 . . . . 9.06 108.484 178.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.3 m -66.05 -44.0 85.89 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.295 -0.866 . . . . 10.96 111.347 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -67.65 -35.37 78.77 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-O 120.798 0.332 . . . . 12.89 111.595 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.57 -48.23 67.5 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.243 -0.435 . . . . 11.68 111.86 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -81.07 -6.57 58.96 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.8 0.333 . . . . 11.93 111.796 -179.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.13 52.95 24.8 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 121.238 -0.506 . . . . 13.13 113.289 179.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 15.2 p90 -148.04 156.45 42.65 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 110.244 -0.28 . . . . 12.01 110.244 179.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 46.3 mp0 -96.64 147.11 24.22 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.751 0.31 . . . . 14.85 110.665 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 11.4 ttp180 -63.04 -31.39 72.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.297 0.57 . . . . 12.02 110.062 179.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -75.06 7.38 3.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.435 -0.802 . . . . 13.0 111.472 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -118.2 0.46 11.75 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.578 0.214 . . . . 12.82 111.578 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 14.3 p -60.39 -34.47 57.88 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 CA-C-O 120.968 0.413 . . . . 10.88 111.175 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -36.87 85.09 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.706 -0.679 . . . . 12.18 110.602 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -73.38 -42.87 40.18 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.942 -0.647 . . . . 12.77 111.923 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 34.2 mt -60.28 -41.46 87.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.765 0.317 . . . . 11.54 110.797 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 95.0 mt -68.31 -30.97 70.07 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.886 0.374 . . . . 10.42 110.587 179.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -74.83 -32.02 57.51 Favored Glycine 0 N--CA 1.448 -0.554 0 CA-C-N 115.96 -0.564 . . . . 12.46 112.936 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -84.74 -29.27 25.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.89 0.376 . . . . 14.49 111.593 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.9 m -86.87 165.05 16.24 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.269 -0.423 . . . . 10.83 110.314 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -88.46 44.22 1.19 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.297 0.57 . . . . 10.68 110.648 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -132.26 19.81 4.42 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.645 -0.707 . . . . 8.55 110.331 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.9 ptmt -66.67 120.3 13.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.641 -0.709 . . . . 13.32 110.736 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 85.79 12.72 71.2 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.555 -0.831 . . . . 9.82 111.859 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -115.06 143.23 45.52 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.815 0.341 . . . . 9.22 110.811 179.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 22.8 m80 -116.39 151.1 36.65 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.248 -0.433 . . . . 9.01 109.946 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 16.3 tp -55.23 -38.7 68.8 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 123.21 0.319 . . . . 4.77 111.43 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.8 -43.42 93.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.24 -0.437 . . . . 5.96 110.909 179.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -63.1 -43.8 97.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.001 -0.545 . . . . 7.82 111.096 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 71.4 mt -62.51 -48.69 87.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.694 -0.685 . . . . 5.79 110.762 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.6 mp -67.41 -28.22 67.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.85 0.357 . . . . 5.97 111.611 -179.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 60.1 t30 -71.93 -45.47 61.03 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.933 0.397 . . . . 9.81 110.082 179.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.5 m -69.61 -35.8 75.6 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.94 -0.573 . . . . 7.98 110.487 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.65 119.2 9.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.958 -0.564 . . . . 7.06 109.947 179.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.9 m -108.86 114.99 29.23 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.188 -0.46 . . . . 9.21 110.702 -179.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -116.08 110.21 18.57 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.226 -0.443 . . . . 9.55 110.431 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 41.9 t -98.06 111.07 58.43 Favored Pre-proline 0 C--N 1.324 -0.539 0 N-CA-C 109.796 -0.446 . . . . 12.15 109.796 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -72.94 76.68 2.47 Favored 'Trans proline' 0 N--CA 1.462 -0.336 0 C-N-CA 122.738 2.292 . . . . 12.82 112.537 -179.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -77.31 72.56 3.86 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.093 0.473 . . . . 14.19 110.251 179.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.474 -0.774 . . . . 15.67 110.334 -179.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 48.4 ttp . . . . . 0 N--CA 1.485 1.308 0 N-CA-C 111.882 0.327 . . . . 11.23 111.882 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 55.4 ttm -90.42 70.85 7.0 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.512 0.56 . . . . 13.11 112.512 -178.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 7.9 m 50.92 89.94 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 112.866 0.691 . . . . 11.68 112.866 179.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.98 115.78 7.87 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.881 0.372 . . . . 8.3 110.949 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -77.72 164.05 25.61 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.035 -0.53 . . . . 9.28 110.644 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 5.6 mmpp? -57.13 -47.73 80.42 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.798 0.332 . . . . 8.73 111.141 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -60.85 -37.2 81.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.892 -0.595 . . . . 9.58 111.804 -179.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -71.33 -42.04 69.08 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.169 -0.469 . . . . 8.61 111.159 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 66.4 mt -68.44 -40.65 82.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.297 -0.411 . . . . 5.19 110.126 179.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.15 -34.37 74.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.943 -0.571 . . . . 4.42 110.621 179.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.65 -38.92 89.51 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.937 -0.574 . . . . 5.79 110.345 179.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 72.0 mt -73.45 -32.3 64.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.355 -0.384 . . . . 4.52 110.354 179.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 99.6 mt -65.03 -50.34 75.16 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 CA-C-N 115.895 -0.593 . . . . 4.37 109.694 178.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 29.0 m -68.83 -30.03 45.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.367 -0.378 . . . . 6.25 110.29 179.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -63.12 -41.3 99.3 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 109.187 -0.671 . . . . 7.24 109.187 178.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 30.2 t80 -63.18 -44.99 93.86 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.385 -0.825 . . . . 7.41 109.773 178.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -62.37 -37.96 87.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.067 0.461 . . . . 8.36 110.247 178.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 23.2 m -65.85 -39.4 90.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.006 -0.543 . . . . 9.5 109.663 178.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 16.8 m -70.62 -7.68 46.06 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.766 -0.652 . . . . 9.77 110.471 179.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 52.6 mt -91.19 -50.02 13.0 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 CA-C-N 115.653 -0.703 . . . . 11.09 110.072 179.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 31.5 m -74.4 -23.11 18.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 113.014 0.746 . . . . 12.38 113.014 -178.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -72.76 -24.92 61.02 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.608 0.596 . . . . 13.19 112.608 -179.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 10.4 pttm -129.27 23.45 5.57 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.317 0.488 . . . . 13.7 112.317 -179.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 16.8 ttmm 48.92 56.87 7.08 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.408 0.623 . . . . 16.11 112.091 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 19.8 tp10 -74.6 -26.34 59.85 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.551 -0.749 . . . . 12.56 109.067 179.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 6.4 tp -126.08 163.08 28.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.036 -0.984 . . . . 13.67 108.835 179.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.8 164.5 23.48 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.657 0.265 . . . . 15.14 111.239 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.18 -34.39 72.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.78 0.324 . . . . 16.66 111.167 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.43 -43.78 98.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 15.52 110.945 178.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.36 -35.04 81.37 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.924 -0.655 . . . . 13.62 111.588 179.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.27 -30.34 70.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.944 0.402 . . . . 12.71 110.641 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -62.65 -49.33 75.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.904 -0.589 . . . . 13.38 109.887 179.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 1.4 m -70.06 -38.26 75.74 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.033 -0.531 . . . . 11.95 111.298 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 41.0 mt -61.36 -25.74 67.36 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.698 0.629 . . . . 10.13 112.698 -179.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -58.0 -59.36 5.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.577 -0.283 . . . . 11.27 111.428 -179.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 8.6 p -71.49 -30.19 38.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.632 -0.258 . . . . 10.04 111.072 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.81 -44.36 96.98 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.934 0.397 . . . . 8.58 110.563 179.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 46.2 ttm -63.06 -35.83 81.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.98 -0.555 . . . . 7.93 110.073 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -64.88 -48.39 74.41 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.851 -0.613 . . . . 9.48 109.983 179.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 77.9 m -57.63 -44.39 85.52 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.515 -0.766 . . . . 8.46 111.156 179.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 98.1 mt -62.51 -42.26 95.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.261 -0.427 . . . . 6.23 110.754 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 19.9 m -60.59 -51.26 70.16 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.009 -0.541 . . . . 7.39 111.794 -179.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -68.61 -28.83 67.26 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.343 0.498 . . . . 8.81 112.343 -179.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.2 -41.71 99.2 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.497 -0.319 . . . . 7.38 111.368 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -90.26 -6.63 54.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.235 0.541 . . . . 8.09 110.817 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 73.77 42.22 39.59 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.794 -0.639 . . . . 9.43 113.379 179.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 16.4 p90 -135.74 153.8 51.45 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.776 0.288 . . . . 8.7 110.391 179.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -88.27 135.72 33.31 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.983 0.421 . . . . 11.16 111.019 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 21.3 ttp180 -59.35 -37.78 78.72 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.813 -0.63 . . . . 11.12 111.116 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.82 0.64 12.58 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 112.234 0.457 . . . . 11.8 112.234 -179.443 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -112.56 17.56 19.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.853 0.358 . . . . 10.53 111.058 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 5.4 p -57.19 -44.86 84.29 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 N-CA-C 112.517 0.562 . . . . 9.19 112.517 -179.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 1.2 m -68.1 -25.19 65.19 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.596 0.221 . . . . 10.94 111.596 -179.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -65.24 -36.06 92.36 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.645 -0.788 . . . . 11.05 111.424 179.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 48.1 mt -74.89 -47.36 37.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 109.901 -0.407 . . . . 9.74 109.901 179.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 71.4 mt -61.45 -38.79 88.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.75 -0.659 . . . . 9.17 111.394 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -70.14 -25.85 75.06 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 121.009 -0.615 . . . . 11.56 112.729 -179.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 13.5 ttmt -84.37 -45.22 12.98 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.225 0.536 . . . . 12.67 110.084 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 18.5 m -77.33 -177.13 4.47 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.708 -0.678 . . . . 9.82 111.96 -179.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -82.36 -21.47 35.91 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.611 -0.722 . . . . 10.24 110.818 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -79.3 74.22 5.9 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.769 -0.65 . . . . 7.84 111.448 -179.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -124.81 133.9 52.95 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.269 -0.423 . . . . 11.89 110.287 179.265 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 72.32 21.29 79.41 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.693 -0.765 . . . . 8.65 111.633 -179.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 21.8 mm-40 -136.28 120.13 17.43 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.046 -0.724 . . . . 7.81 109.046 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 45.0 m80 -84.51 161.43 20.25 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.171 -0.677 . . . . 8.35 109.171 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 23.1 tp -59.94 -34.06 72.74 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.35 0.595 . . . . 4.32 110.211 179.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.67 -29.95 68.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.455 -0.793 . . . . 5.79 111.023 179.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -75.12 -49.23 20.26 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 116.13 -0.486 . . . . 6.75 110.352 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 82.0 mt -60.3 -45.28 96.58 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 CA-C-N 115.846 -0.615 . . . . 4.76 110.895 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 6.9 mp -67.8 -20.28 65.18 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.078 -0.51 . . . . 5.48 111.644 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -78.74 -43.0 26.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.916 0.388 . . . . 8.15 110.253 179.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.02 -31.71 70.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.79 -0.641 . . . . 6.84 110.842 179.555 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.12 97.13 0.17 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.02 -0.537 . . . . 6.55 110.372 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 2.0 m -107.41 102.15 11.45 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.959 -0.564 . . . . 8.4 110.579 -179.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 28.2 mmm-85 -119.63 127.14 52.65 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.76 -0.655 . . . . 10.77 109.945 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 61.2 t -101.82 118.48 59.41 Favored Pre-proline 0 C--N 1.319 -0.732 0 CA-C-N 116.221 -0.445 . . . . 11.96 109.809 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_exo -63.82 114.91 2.79 Favored 'Trans proline' 0 C--O 1.236 0.394 0 C-N-CA 122.582 2.188 . . . . 13.1 111.21 179.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -78.12 57.36 1.8 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.962 0.411 . . . . 14.34 111.197 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 69.8 m . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.344 -0.836 . . . . 16.55 109.854 179.855 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 21.4 t . . . . . 0 N--CA 1.455 -0.202 0 CA-C-O 121.077 0.465 . . . . 9.99 109.973 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 21' ' ' HIS . . . . . . . . . . . . . 17.7 t60 -82.41 109.2 16.44 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.745 -0.662 . . . . 9.56 110.813 -179.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 22' ' ' LEU . . . . . . . . . . . . . 63.5 mt -107.64 144.62 34.43 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.415 -0.357 . . . . 6.88 111.105 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 23' ' ' THR . . . . . . . . . . . . . 2.5 m -108.54 117.87 35.31 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.89 -0.595 . . . . 8.91 109.815 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 24' ' ' LEU . . . . . . . . . . . . . 60.7 mt -101.68 118.21 36.47 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.592 0.234 . . . . 8.66 110.7 -179.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 17.9 tptm -130.65 124.21 31.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.92 0.391 . . . . 14.0 111.565 -179.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 16.7 tttp -101.21 116.7 33.42 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.957 -0.757 . . . . 14.52 108.957 178.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 27' ' ' ILE . . . . . . . . . . . . . 44.3 pt -82.08 -8.36 11.29 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 N-CA-C 113.106 0.78 . . . . 14.88 113.106 -178.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -107.9 153.0 23.67 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.349 -0.611 . . . . 15.23 109.349 179.139 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.88 132.92 92.05 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-O 120.865 0.364 . . . . 18.5 111.934 -179.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 30' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -83.84 131.39 17.11 Favored 'Cis proline' 0 CA--C 1.531 0.345 0 C-N-CA 123.084 -1.632 . . . . 17.48 111.406 -1.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 51.8 mttt -75.69 110.38 10.06 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.056 0.455 . . . . 17.92 111.082 -179.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 40.1 p90 -124.47 163.37 21.98 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.04 -0.527 . . . . 13.5 110.673 179.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 33' ' ' SER . . . . . . . . . . . . . 15.6 m -148.1 119.4 7.83 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.395 -0.366 . . . . 12.59 110.38 179.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 9.4 pt -137.45 158.51 34.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.266 -0.425 . . . . 10.72 110.692 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 35' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -129.48 147.32 51.28 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.299 -0.409 . . . . 10.54 110.07 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 36' ' ' HIS . . . . . . . . . . . . . 76.4 t60 -158.1 150.71 22.42 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.304 -0.407 . . . . 10.1 110.757 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -94.48 124.96 38.83 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.078 -0.51 . . . . 9.77 109.998 179.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 38' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -113.64 -179.29 3.6 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 116.264 -0.425 . . . . 9.82 110.346 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.46 152.91 44.27 Favored Pre-proline 0 C--N 1.326 -0.43 0 N-CA-C 109.355 -0.609 . . . . 11.97 109.355 179.32 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -63.35 -17.21 58.99 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.402 2.068 . . . . 12.89 112.186 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.4 -14.56 45.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.96 -0.564 . . . . 14.73 110.446 179.268 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -79.08 130.72 35.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.975 -0.557 . . . . 11.77 109.635 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 18.7 p -92.4 178.45 5.83 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.434 -0.348 . . . . 11.41 110.283 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 48.2 mm -60.5 -28.27 42.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.279 0.561 . . . . 8.13 110.004 179.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 43.9 tp -62.69 -37.48 86.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.516 -0.766 . . . . 12.88 110.524 179.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 46' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -63.13 -37.56 87.69 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.292 -0.413 . . . . 12.59 110.998 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 55.2 mt -63.19 -42.19 95.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 109.46 -0.57 . . . . 8.04 109.46 179.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 48' ' ' LYS . . . . . 0.429 ' HZ3' ' CG ' ' C' ' 74' ' ' ASP . 96.1 mttt -64.95 -44.45 89.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.47 -0.786 . . . . 10.51 110.419 179.427 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -59.52 -36.15 75.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.937 -0.574 . . . . 14.34 110.533 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -69.2 -38.24 78.52 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.731 -0.668 . . . . 11.16 111.225 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 65.9 mt -62.45 -32.34 73.19 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.279 -0.419 . . . . 12.37 111.757 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 52' ' ' ILE . . . . . . . . . . . . . 60.7 mt -65.69 -42.43 92.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 120.948 0.404 . . . . 15.35 110.488 179.273 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.89 -16.18 62.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.062 -0.517 . . . . 15.02 111.167 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 54' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -95.02 10.06 37.11 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.061 -0.518 . . . . 14.38 110.126 179.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 56.17 43.63 26.42 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.634 -0.712 . . . . 18.85 111.349 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 33.4 mmtm -107.44 -28.23 9.95 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.184 -0.462 . . . . 14.91 111.667 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -141.4 166.95 23.34 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.226 -0.443 . . . . 15.28 110.247 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 58' ' ' SER . . . . . . . . . . . . . 2.5 t -103.64 -39.78 6.57 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.4 -0.364 . . . . 17.75 110.544 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 59' ' ' HIS . . . . . . . . . . . . . 86.5 m-70 -132.58 163.93 27.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.911 0.386 . . . . 19.98 111.957 -179.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 39.4 mm -69.23 -36.88 74.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.644 -0.707 . . . . 14.55 111.477 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 1.7 m -65.28 -23.49 67.05 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 113.053 0.761 . . . . 14.99 113.053 -178.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -77.76 -22.27 50.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.299 0.571 . . . . 16.71 111.188 -179.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 63' ' ' ILE . . . . . . . . . . . . . 33.4 mt -87.23 99.36 8.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 112.866 0.691 . . . . 11.09 112.866 -178.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 64' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -103.79 108.09 19.25 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.749 -0.834 . . . . 10.01 108.749 178.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 76.1 mt -93.17 142.7 27.01 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.675 0.274 . . . . 5.92 111.626 -179.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 1.7 mp -133.93 166.03 23.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.142 -0.481 . . . . 7.57 110.819 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 22.5 tp -140.68 66.35 1.38 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.798 -0.637 . . . . 7.44 109.351 179.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.29 87.4 0.1 Allowed 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.489 -0.778 . . . . 13.3 112.032 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 84.56 -58.18 5.0 Favored Glycine 0 CA--C 1.519 0.302 0 C-N-CA 120.629 -0.796 . . . . 8.93 113.109 179.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.52 142.24 34.36 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.822 0.344 . . . . 9.68 111.467 -179.523 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 71' ' ' VAL . . . . . . . . . . . . . 40.1 t -90.7 143.57 10.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.057 -0.52 . . . . 7.05 110.175 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 86.7 mt -94.51 125.45 39.16 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.956 0.407 . . . . 5.9 110.434 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 73' ' ' HIS . . . . . . . . . . . . . 21.7 m-70 -94.57 147.45 23.27 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.151 -0.477 . . . . 9.1 111.058 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 74' ' ' ASP . . . . . 0.429 ' CG ' ' HZ3' ' C' ' 48' ' ' LYS . 3.3 m-20 -52.13 -44.62 64.6 Favored 'General case' 0 C--O 1.236 0.366 0 O-C-N 123.721 0.638 . . . . 9.91 112.597 -179.094 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 75' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -78.22 67.89 4.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.118 0.485 . . . . 13.96 111.619 -179.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 76' ' ' LEU . . . . . . . . . . . . . 21.4 tp -155.56 148.57 24.48 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.839 -0.619 . . . . 9.58 109.493 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -103.61 156.06 18.07 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.733 0.301 . . . . 14.32 110.566 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 39.6 mt -62.96 -28.16 69.89 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.122 -0.49 . . . . 9.58 112.299 -179.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 79' ' ' SER . . . . . . . . . . . . . 12.3 m -67.99 -20.69 65.05 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.946 0.403 . . . . 12.92 111.797 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 80' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -87.31 -8.05 57.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.127 0.489 . . . . 12.44 110.862 -179.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 82.4 mt -81.06 128.88 34.21 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.05 -0.523 . . . . 10.15 109.919 179.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 82' ' ' LYS . . . . . . . . . . . . . 42.7 mmtm -81.45 45.26 0.85 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.335 0.588 . . . . 12.59 110.538 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 2.6 m -67.83 118.71 12.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.603 -0.726 . . . . 11.5 110.834 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 84' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -118.82 162.28 31.88 Favored Pre-proline 0 C--N 1.319 -0.758 0 CA-C-N 115.656 -0.702 . . . . 13.96 109.956 -179.455 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 85' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_exo -54.86 -27.14 51.75 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.987 2.458 . . . . 14.91 112.965 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -77.33 -23.72 50.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.702 0.287 . . . . 15.11 111.546 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 87' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -148.05 90.48 1.83 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.25 0.548 . . . . 12.37 111.758 -179.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 88' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -114.78 23.97 12.19 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.489 0.661 . . . . 10.56 109.854 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 89' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.84 132.64 50.84 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.458 -0.792 . . . . 9.87 110.962 -179.276 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 90' ' ' ILE . . . . . . . . . . . . . 42.2 mm -99.93 128.03 52.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 109.07 -0.715 . . . . 6.59 109.07 179.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 91' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.72 106.17 9.37 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.943 0.401 . . . . 8.75 110.628 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 92' ' ' VAL . . . . . . . . . . . . . 48.8 t -92.63 110.33 22.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 121.102 0.477 . . . . 9.58 110.601 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 93' ' ' MET . . . . . . . . . . . . . 50.7 mmm -109.54 68.2 0.67 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.301 -0.409 . . . . 10.9 110.772 -179.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 94' ' ' ILE . . . . . . . . . . . . . 81.9 mt -73.53 104.93 2.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 109.755 -0.461 . . . . 13.44 109.755 179.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 95' ' ' LYS . . . . . . . . . . . . . 12.2 mmtp -142.51 128.18 10.46 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 115.494 -0.775 . . . . 14.95 109.431 -179.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 96' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -81.06 -167.22 0.48 Allowed 'Trans proline' 0 N--CA 1.461 -0.428 0 C-N-CA 122.468 2.112 . . . . 17.56 111.237 179.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 56.8 t30 66.82 -104.99 0.0 OUTLIER Pre-proline 0 C--O 1.249 1.036 0 CA-C-O 118.108 -0.948 . . . . 18.17 111.774 179.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 98' ' ' PRO . . . . . . . . . . . . . . . . . . . . 1 C--N 1.248 -4.717 0 O-C-N 122.689 0.836 . . . . 15.75 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.2 tmt? . . . . . 0 N--CA 1.481 1.124 0 N-CA-C 111.506 0.187 . . . . 10.47 111.506 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 22.8 mmt -65.6 -77.34 0.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.69 -0.232 . . . . 11.61 111.568 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.8 m -150.93 -33.72 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.627 -0.261 . . . . 10.77 111.673 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 60.44 59.74 2.17 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.666 0.746 . . . . 8.18 110.257 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 m -74.88 174.2 9.57 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.796 -1.093 . . . . 10.11 110.683 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.7 mttm -54.74 -43.82 73.02 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.041 -0.527 . . . . 11.15 112.025 -179.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -68.54 -39.05 81.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.614 -0.267 . . . . 11.43 111.617 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -61.16 -45.2 95.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.206 0.527 . . . . 8.91 109.912 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 71.5 mt -70.19 -45.6 75.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.547 -0.751 . . . . 6.78 111.195 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.46 -41.54 73.05 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.446 -0.343 . . . . 7.12 111.873 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.87 -41.01 95.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 7.6 110.934 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.1 mt -69.94 -32.97 71.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.169 -0.469 . . . . 5.62 111.155 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 93.7 mt -68.39 -51.36 48.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.063 -0.517 . . . . 4.53 110.977 179.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 31.5 m -64.76 -37.77 81.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.448 -0.342 . . . . 6.96 111.751 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -62.7 -36.99 84.73 Favored 'General case' 0 C--N 1.334 -0.091 0 CA-C-O 121.016 0.436 . . . . 7.61 110.324 179.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -61.87 -43.8 98.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.054 -0.521 . . . . 5.51 110.101 179.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -63.96 -41.11 97.67 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.078 -0.51 . . . . 6.35 110.092 179.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.9 m -59.17 -45.8 90.05 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.929 -0.578 . . . . 8.01 110.373 179.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.1 m -58.03 -45.23 87.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.464 -0.335 . . . . 8.27 110.962 179.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 70.6 mt -61.12 -48.15 90.32 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 CA-C-N 116.323 -0.399 . . . . 8.37 111.763 -179.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 31.5 m -72.02 -27.61 27.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 112.771 0.656 . . . . 9.63 112.771 -179.015 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -76.11 -41.02 51.57 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.753 0.311 . . . . 10.98 111.696 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.5 pttt -87.85 6.42 35.5 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.792 0.33 . . . . 11.09 110.6 179.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.2 mtpt 49.98 58.28 5.63 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.353 -0.839 . . . . 12.07 112.823 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -104.52 18.73 21.65 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.438 0.637 . . . . 9.58 109.671 179.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 11.2 tp -148.06 149.65 15.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.353 -0.839 . . . . 9.5 109.632 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.44 151.69 43.78 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.357 -0.383 . . . . 10.1 110.686 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -58.26 -27.27 63.85 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 112.225 0.454 . . . . 11.9 112.225 -179.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -63.91 -21.87 66.66 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.506 -0.315 . . . . 10.3 111.236 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -111.11 -8.38 23.79 Favored Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.858 -0.687 . . . . 8.75 111.387 179.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.76 -49.82 69.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.53 0.205 . . . . 8.42 111.299 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -66.93 -31.89 72.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.857 0.361 . . . . 9.73 110.064 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.1 m -65.31 -46.23 81.14 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.963 -0.562 . . . . 8.02 109.951 179.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 58.4 mt -68.49 -35.25 77.26 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.691 -0.485 . . . . 6.89 109.691 179.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -63.4 -48.41 77.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.594 -0.73 . . . . 9.79 111.054 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 13.7 p -68.52 -38.58 79.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.497 -0.32 . . . . 9.6 110.855 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.6 -45.63 92.01 Favored 'General case' 0 N--CA 1.457 -0.121 0 N-CA-C 109.924 -0.398 . . . . 7.62 109.924 178.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 30.1 ttm -58.36 -41.42 84.66 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.827 -0.624 . . . . 8.19 109.998 179.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -65.43 -45.09 85.23 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.736 -0.666 . . . . 11.12 110.6 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 90.3 m -63.91 -38.79 92.39 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.074 -0.512 . . . . 9.77 111.093 179.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 94.2 mt -62.07 -41.39 90.98 Favored 'Isoleucine or valine' 0 C--O 1.232 0.156 0 N-CA-C 109.651 -0.499 . . . . 9.06 109.651 178.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.4 m -58.71 -55.9 29.12 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.498 -0.773 . . . . 10.96 111.563 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -63.61 -29.72 70.93 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.355 0.502 . . . . 12.89 112.355 -179.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.31 -42.66 92.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.826 0.346 . . . . 11.68 111.227 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -84.21 -10.54 57.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.314 -0.403 . . . . 11.93 111.53 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 86.87 21.29 50.94 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 121.016 -0.611 . . . . 13.13 113.7 178.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 18.9 p90 -122.11 159.14 27.75 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 117.06 0.43 . . . . 12.01 110.693 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -92.41 141.28 28.7 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.547 -0.297 . . . . 14.85 110.295 179.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 14.4 ttp180 -55.63 -40.93 72.83 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.065 -0.516 . . . . 12.02 111.314 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -76.39 0.92 17.84 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.449 0.537 . . . . 13.0 112.449 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -100.07 2.03 42.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.732 0.301 . . . . 12.82 110.916 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 9.0 p -58.91 -35.62 57.38 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-O 121.071 0.463 . . . . 10.88 111.077 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.17 -40.57 96.4 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.731 -0.668 . . . . 12.18 110.738 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.56 -41.33 65.94 Favored Glycine 0 N--CA 1.449 -0.483 0 CA-C-N 115.793 -0.639 . . . . 12.77 111.82 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 90.7 mt -63.0 -51.54 70.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 120.68 0.276 . . . . 11.54 110.728 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 52.8 mt -62.38 -30.73 71.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.417 -0.356 . . . . 10.42 111.49 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -67.38 -27.64 73.55 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 121.052 -0.594 . . . . 12.46 113.0 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.1 ptpt -106.02 5.62 30.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 117.006 0.403 . . . . 14.49 111.491 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 67.3 m -100.21 168.12 10.01 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.003 -0.544 . . . . 10.83 111.81 -179.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -69.71 -39.79 76.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.296 -0.865 . . . . 10.68 110.777 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -78.96 41.05 0.42 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.612 -0.722 . . . . 8.55 112.047 -178.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -72.23 132.31 43.92 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.363 -0.38 . . . . 13.32 110.104 179.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 71.41 26.9 72.41 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.921 -0.657 . . . . 9.82 112.602 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -130.16 154.73 47.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.913 0.387 . . . . 9.22 110.731 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 46.4 m80 -115.57 159.47 21.23 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.048 -0.723 . . . . 9.01 109.048 178.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 19.3 tp -59.28 -39.97 84.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.808 0.337 . . . . 4.77 111.265 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.46 -40.88 96.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 5.96 111.037 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -59.36 -48.07 83.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.08 0.467 . . . . 7.82 110.607 -179.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 70.2 mt -62.15 -48.53 88.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.632 -0.713 . . . . 5.79 111.383 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.3 mp -64.68 -28.71 69.79 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.085 0.402 . . . . 5.97 112.085 -179.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -78.17 -20.11 52.62 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.072 0.463 . . . . 9.81 110.532 179.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 9.8 m -94.27 -31.55 14.03 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.09 -0.505 . . . . 7.98 110.629 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.72 103.64 1.14 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.309 0.576 . . . . 7.06 110.961 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 15.3 m -87.05 118.92 26.75 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.733 -0.667 . . . . 9.21 110.181 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -131.52 99.23 4.74 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.281 -0.418 . . . . 9.55 110.623 -179.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 38.3 t -99.15 115.92 65.46 Favored Pre-proline 0 C--N 1.327 -0.373 0 N-CA-C 109.838 -0.43 . . . . 12.15 109.838 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_endo -78.14 80.22 3.05 Favored 'Trans proline' 0 C--O 1.235 0.36 0 C-N-CA 122.824 2.35 . . . . 12.82 112.714 -179.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -72.84 101.82 3.24 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.833 -0.621 . . . . 14.19 110.799 179.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 14.1 m . . . . . 0 C--O 1.25 1.095 0 CA-C-N 115.666 -0.697 . . . . 15.67 110.357 179.848 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 59.2 ttp . . . . . 0 N--CA 1.483 1.182 0 CA-C-O 120.578 0.227 . . . . 11.23 111.428 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 13.2 mmt -80.78 70.35 7.53 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 110.288 -0.264 . . . . 13.11 110.288 -179.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 27.2 m 64.76 99.81 0.04 OUTLIER 'General case' 0 CA--C 1.523 -0.092 0 O-C-N 123.801 0.688 . . . . 11.68 109.965 -178.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -42.98 97.3 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.302 0 O-C-N 123.696 0.623 . . . . 8.3 112.417 -178.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 8.6 m -101.12 173.55 6.41 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.638 -0.71 . . . . 9.28 110.133 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -56.25 -46.17 79.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.428 -0.351 . . . . 8.73 110.917 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -61.48 -50.56 72.26 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.292 0.478 . . . . 9.58 112.292 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -57.27 -36.29 70.82 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 112.058 0.392 . . . . 8.61 112.058 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 54.1 mt -85.53 -49.81 15.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 112.571 0.582 . . . . 5.19 112.571 -178.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.23 -38.25 73.5 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.182 0.438 . . . . 4.42 112.182 -178.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.75 -44.14 85.91 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 123.238 0.336 . . . . 5.79 110.946 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 91.6 mt -72.19 -35.16 68.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.233 -0.439 . . . . 4.52 111.274 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 90.3 mt -60.79 -54.17 39.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.438 . . . . 4.37 110.649 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 30.9 m -68.88 -32.73 55.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.358 -0.383 . . . . 6.25 111.055 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -62.13 -43.55 98.58 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 116.271 -0.422 . . . . 7.24 110.148 179.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -59.03 -50.08 75.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.745 -0.662 . . . . 7.41 110.477 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -62.68 -41.15 98.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 8.36 111.179 -179.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 35.1 m -63.74 -35.59 81.09 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.234 -0.439 . . . . 9.5 110.734 179.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 14.9 m -75.33 -14.81 60.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.221 0.534 . . . . 9.77 110.964 179.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 79.2 mt -82.91 -45.77 19.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.055 -0.521 . . . . 11.09 110.114 179.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 18.9 m -73.12 -36.08 49.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 113.022 0.749 . . . . 12.38 113.022 -179.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -58.58 -36.13 73.5 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 112.656 0.613 . . . . 13.19 112.656 -178.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 25.8 pttm -106.95 13.14 27.98 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.766 0.284 . . . . 13.7 111.766 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 20.2 ttmm 50.77 64.12 1.95 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.555 0.693 . . . . 16.11 112.043 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -90.14 -23.75 21.26 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.709 -0.678 . . . . 12.56 110.129 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 15.1 tt -110.46 167.84 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.583 -0.735 . . . . 13.67 110.317 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -77.1 166.96 22.58 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.935 0.398 . . . . 15.14 111.413 -179.732 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -61.25 -27.62 68.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.882 -0.599 . . . . 16.66 112.501 -179.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.38 -59.18 2.86 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.395 -0.366 . . . . 15.52 110.956 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.27 -27.45 60.4 Favored Glycine 0 CA--C 1.518 0.269 0 CA-C-N 116.056 -0.52 . . . . 13.62 112.822 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.85 -36.46 83.33 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.978 0.418 . . . . 12.71 110.267 179.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . 0.402 ' CG ' ' HZ2' ' C' ' 25' ' ' LYS . 0.5 OUTLIER -69.25 -40.8 77.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.826 -0.624 . . . . 13.38 109.863 179.621 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -63.45 -47.38 82.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.693 -0.685 . . . . 11.95 110.253 179.612 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 33.1 mt -67.24 -29.29 68.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 10.13 111.14 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -55.72 -55.0 37.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.824 -0.625 . . . . 11.27 110.672 179.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 10.9 p -76.13 -30.48 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 10.04 111.437 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.37 -41.2 84.24 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.918 0.39 . . . . 8.58 110.441 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 61.7 mtm -62.78 -40.37 97.1 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.94 -0.573 . . . . 7.93 110.503 179.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.52 -42.65 91.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.913 -0.585 . . . . 9.48 110.412 179.612 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 92.9 m -59.95 -45.36 92.89 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.048 -0.524 . . . . 8.46 111.151 179.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 82.5 mt -63.05 -43.16 98.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.431 -0.35 . . . . 6.23 110.314 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 17.5 m -60.85 -52.8 63.52 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.004 -0.544 . . . . 7.39 111.999 -179.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . 0.488 ' CD ' ' HZ3' ' C' ' 70' ' ' LYS . 0.8 OUTLIER -66.84 -31.66 72.42 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 112.422 0.527 . . . . 8.81 112.422 -179.06 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.12 -41.93 73.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.717 0.294 . . . . 7.38 110.93 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -76.25 -35.48 58.95 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.251 -0.431 . . . . 8.09 111.405 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 111.21 25.92 4.83 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.556 -0.83 . . . . 9.43 113.561 179.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 23.1 p90 -131.9 178.59 6.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 122.716 -0.285 . . . . 8.7 110.692 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -122.66 150.41 42.72 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 110.088 -0.338 . . . . 11.16 110.088 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 24.5 ttp180 -63.65 -25.49 68.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.062 -0.517 . . . . 11.12 111.229 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -79.79 -6.19 56.83 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.027 -0.533 . . . . 11.8 111.11 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -105.81 10.31 32.64 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.76 0.314 . . . . 10.53 111.351 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 12.7 p -61.66 -32.79 54.78 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 CA-C-O 120.789 0.328 . . . . 9.19 111.726 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.46 -35.13 75.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.007 0.432 . . . . 10.94 111.015 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -72.2 -29.85 65.92 Favored Glycine 0 N--CA 1.451 -0.341 0 CA-C-N 115.91 -0.586 . . . . 11.05 111.873 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 58.2 mt -79.36 -52.25 15.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 120.51 0.195 . . . . 9.74 110.721 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 32.0 mt -57.51 -40.53 78.91 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 112.215 0.45 . . . . 9.17 112.215 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -72.93 -22.02 79.41 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.67 -0.776 . . . . 11.56 112.5 -179.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 2.8 ttmp? -87.29 -59.01 2.37 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.852 0.358 . . . . 12.67 110.627 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 14.4 m -62.09 165.37 5.73 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.73 -0.668 . . . . 9.82 111.282 -179.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -83.69 54.17 2.78 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.48 0.548 . . . . 10.24 112.48 -178.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -145.12 22.84 1.54 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.744 -0.662 . . . . 7.84 109.812 178.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.38 127.81 33.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.355 -0.839 . . . . 11.89 111.747 -179.381 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 74.71 16.69 80.15 Favored Glycine 0 N--CA 1.451 -0.337 0 CA-C-N 115.676 -0.693 . . . . 8.65 113.081 179.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 14.0 mm-40 -120.84 160.38 23.53 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 122.694 -0.298 . . . . 7.81 110.478 -179.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 64.2 m80 -126.48 149.25 49.45 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.784 -0.45 . . . . 8.35 109.784 179.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 20.1 tp -56.55 -33.45 66.14 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.242 -0.435 . . . . 4.32 112.059 -179.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.73 -56.5 17.0 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.07 0.396 . . . . 5.79 112.07 -179.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.3 -41.87 84.69 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.718 0.636 . . . . 6.75 112.718 -179.277 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 93.9 mt -56.22 -46.91 81.5 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 CA-C-O 120.897 0.38 . . . . 4.76 111.502 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 5.1 mp -67.17 -34.41 77.48 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.142 -0.481 . . . . 5.48 111.308 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -70.64 -37.81 73.8 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.271 -0.422 . . . . 8.15 111.861 -179.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.4 p -66.18 -22.23 66.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.946 0.403 . . . . 6.84 111.525 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -75.88 128.82 35.92 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 109.445 -0.576 . . . . 6.55 109.445 179.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 3.4 m -101.95 101.45 11.86 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.006 0.431 . . . . 8.4 110.508 -179.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 9.8 mmm180 -96.24 119.13 34.17 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.084 0.468 . . . . 10.77 111.271 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 3.2 t -94.52 120.95 64.36 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 115.737 -0.665 . . . . 11.96 109.612 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_exo -75.36 101.41 1.47 Allowed 'Trans proline' 0 N--CA 1.46 -0.484 0 C-N-CA 122.747 2.298 . . . . 13.1 111.791 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -76.18 75.84 3.01 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.073 0.463 . . . . 14.34 110.368 179.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 C--O 1.245 0.82 0 CA-C-O 118.488 -0.767 . . . . 16.55 110.45 -179.118 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 45.1 t . . . . . 0 CA--C 1.528 0.127 0 CA-C-O 121.358 0.599 . . . . 9.99 110.1 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 21' ' ' HIS . . . . . . . . . . . . . 17.7 t60 -78.03 111.57 14.05 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.574 -0.739 . . . . 9.56 110.543 -179.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 22' ' ' LEU . . . . . . . . . . . . . 95.8 mt -118.69 143.88 46.56 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.465 -0.334 . . . . 6.88 111.228 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 23' ' ' THR . . . . . . . . . . . . . 5.4 m -102.59 120.05 39.87 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.696 -0.684 . . . . 8.91 109.507 179.039 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 24' ' ' LEU . . . . . . . . . . . . . 35.7 mt -103.45 115.01 29.74 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 110.089 -0.337 . . . . 8.66 110.089 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 25' ' ' LYS . . . . . 0.402 ' HZ2' ' CG ' ' B' ' 45' ' ' ASP . 63.4 tttt -124.17 128.09 48.72 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.715 0.293 . . . . 14.0 111.024 -179.428 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 5.4 ttpp -90.5 128.1 36.43 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.262 -0.426 . . . . 14.52 110.142 178.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 27' ' ' ILE . . . . . . . . . . . . . 40.4 pt -80.71 -23.66 11.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 112.923 0.712 . . . . 14.88 112.923 -178.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -104.56 143.12 33.49 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.653 0.263 . . . . 15.23 110.886 -179.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.38 140.63 98.01 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 116.132 -0.485 . . . . 18.5 110.871 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 30' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -70.2 133.81 27.83 Favored 'Cis proline' 0 C--N 1.345 0.347 0 C-N-CA 123.173 -1.595 . . . . 17.48 112.1 -0.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 34.0 mtmt -91.13 137.9 32.01 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.326 -0.397 . . . . 17.92 110.613 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 24.0 p90 -155.05 159.45 40.29 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.036 -0.529 . . . . 13.5 110.21 179.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 33' ' ' SER . . . . . . . . . . . . . 6.8 m -134.62 101.79 5.07 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.173 -0.467 . . . . 12.59 109.972 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 36.1 pt -110.95 156.67 12.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.455 -0.339 . . . . 10.72 110.477 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 35' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -130.59 149.85 52.06 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.824 0.345 . . . . 10.54 110.967 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 36' ' ' HIS . . . . . . . . . . . . . 31.1 t60 -157.88 141.04 15.16 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.782 -0.645 . . . . 10.1 110.0 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -86.14 99.25 11.38 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.088 -0.505 . . . . 9.77 109.868 179.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 38' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -88.09 -172.71 3.93 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.206 -0.452 . . . . 9.82 110.451 -179.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.46 147.19 41.35 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 116.236 -0.438 . . . . 11.97 110.168 179.745 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -68.38 -15.19 41.75 Favored 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 122.456 2.104 . . . . 12.89 112.486 -179.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 41' ' ' SER . . . . . . . . . . . . . 1.4 m -91.59 4.19 53.23 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.252 -0.431 . . . . 14.73 111.025 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -93.23 157.87 16.04 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.037 0.446 . . . . 11.77 111.088 -179.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -103.09 167.18 9.99 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.857 -0.61 . . . . 11.41 109.668 179.697 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 11.6 mm -55.89 -31.88 31.35 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 CA-C-O 121.193 0.52 . . . . 8.13 110.497 179.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 59.9 tp -56.99 -31.99 65.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.551 -0.75 . . . . 12.88 111.593 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 46' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -64.12 -38.33 90.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.766 0.317 . . . . 12.59 111.182 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 64.9 mt -66.05 -41.85 90.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 108.967 -0.753 . . . . 8.04 108.967 178.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 77.5 mttt -61.81 -44.46 96.81 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.358 -0.837 . . . . 10.51 110.088 178.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -61.45 -40.64 95.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.753 -0.658 . . . . 14.34 111.09 179.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 44.7 t60 -65.94 -34.87 79.11 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.367 -0.379 . . . . 11.16 110.935 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 89.4 mt -64.19 -36.4 83.95 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.333 -0.394 . . . . 12.37 110.663 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 52' ' ' ILE . . . . . . . . . . . . . 49.8 mt -74.61 -43.18 48.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.232 -0.44 . . . . 15.35 110.68 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 12.4 p -64.94 -28.46 69.54 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.908 0.385 . . . . 15.02 110.952 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 54' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -89.82 10.25 24.32 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.326 -0.397 . . . . 14.38 110.776 178.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 55.3 39.22 31.24 Favored 'General case' 0 C--O 1.233 0.215 0 N-CA-C 113.234 0.827 . . . . 18.85 113.234 179.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 48.2 mmtm -98.02 -23.81 15.62 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.169 0.509 . . . . 14.91 109.766 179.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -138.73 179.61 6.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.49 -0.777 . . . . 15.28 109.482 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 58' ' ' SER . . . . . . . . . . . . . 3.7 m -117.53 -49.74 2.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.831 0.348 . . . . 17.75 111.725 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 59' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -121.67 151.05 40.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.958 0.408 . . . . 19.98 111.609 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 18.1 mm -64.0 -33.16 60.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.614 -0.721 . . . . 14.55 111.265 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.94 -29.28 67.5 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.741 0.645 . . . . 14.99 112.741 -178.748 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -71.42 -27.62 63.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.034 0.445 . . . . 16.71 111.312 -179.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 63' ' ' ILE . . . . . . . . . . . . . 32.3 mt -76.84 115.5 18.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.521 -0.763 . . . . 11.09 112.211 -178.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 64' ' ' LYS . . . . . . . . . . . . . 35.8 tptt -116.78 106.36 13.39 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.535 -0.913 . . . . 10.01 108.535 178.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 77.6 mt -92.84 144.07 25.64 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.752 0.311 . . . . 5.92 111.222 -179.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 9.6 mt -139.32 146.12 39.92 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.138 -0.483 . . . . 7.57 111.279 -179.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 55.1 tp -147.48 111.21 5.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.056 -0.52 . . . . 7.44 109.934 178.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 13.8 mmmt 59.15 33.59 22.86 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.05 -0.523 . . . . 13.3 111.124 -179.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 93.58 -35.26 4.21 Favored Glycine 0 N--CA 1.449 -0.453 0 CA-C-N 115.713 -0.676 . . . . 8.93 112.59 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 70' ' ' LYS . . . . . 0.488 ' HZ3' ' CD ' ' B' ' 56' ' ' GLU . 0.0 OUTLIER -67.09 126.16 28.31 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.846 0.355 . . . . 9.68 110.613 -179.715 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 71' ' ' VAL . . . . . . . . . . . . . 15.9 t -75.59 125.08 34.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.919 -0.582 . . . . 7.05 109.806 179.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 28.8 mt -88.4 103.09 15.52 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.156 -0.474 . . . . 5.9 109.86 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 73' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -84.79 162.1 19.71 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.951 -0.568 . . . . 9.1 111.952 -179.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -55.95 -30.08 61.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.59 -0.732 . . . . 9.91 112.949 -178.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 75' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -91.08 23.41 3.26 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 113.187 0.81 . . . . 13.96 113.187 -177.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 76' ' ' LEU . . . . . . . . . . . . . 48.3 tp -112.43 135.72 52.78 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 122.133 -0.354 . . . . 9.58 110.483 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -86.22 153.63 21.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.931 0.396 . . . . 14.32 111.679 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 36.1 mt -70.3 -20.58 63.01 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.088 -0.506 . . . . 9.58 111.218 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 79' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.21 -19.82 63.97 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.14 -0.482 . . . . 12.92 111.885 -179.501 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 80' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -93.08 -14.0 27.86 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.825 0.345 . . . . 12.44 111.063 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 36.0 mt -57.86 127.34 31.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.108 0.48 . . . . 10.15 111.76 -179.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 82' ' ' LYS . . . . . . . . . . . . . 3.8 mmtt -83.21 57.45 3.97 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.749 -0.66 . . . . 12.59 109.715 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 1.6 m -89.31 101.64 12.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.397 0.618 . . . . 11.5 112.105 -178.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 84' ' ' THR . . . . . . . . . . . . . 33.3 p -99.28 166.44 12.96 Favored Pre-proline 0 C--N 1.321 -0.639 0 N-CA-C 108.388 -0.967 . . . . 13.96 108.388 179.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 85' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_exo -58.99 -24.02 71.24 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.231 1.954 . . . . 14.91 111.132 178.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -78.67 -34.11 46.5 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.841 -0.618 . . . . 15.11 111.023 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 87' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -134.75 80.85 1.87 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.323 0.583 . . . . 12.37 112.179 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 88' ' ' SER . . . . . . . . . . . . . 3.6 m -105.69 13.45 29.76 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.888 -0.597 . . . . 10.56 110.85 179.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 89' ' ' THR . . . . . . . . . . . . . 3.9 m -99.28 119.02 37.23 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.059 0.457 . . . . 9.87 111.603 -179.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 90' ' ' ILE . . . . . . . . . . . . . 43.9 mm -88.52 130.11 38.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 108.93 -0.767 . . . . 6.59 108.93 179.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 91' ' ' THR . . . . . . . . . . . . . 10.5 m -77.97 117.41 19.28 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.401 -0.363 . . . . 8.75 110.874 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 92' ' ' VAL . . . . . . . . . . . . . 48.2 t -103.93 111.35 33.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.187 0.517 . . . . 9.58 110.615 179.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 93' ' ' MET . . . . . . . . . . . . . 4.5 ttt -114.9 141.19 48.27 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.234 -0.654 . . . . 10.9 109.234 179.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 94' ' ' ILE . . . . . . . . . . . . . 51.9 mt -130.6 122.17 52.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 120.912 0.386 . . . . 13.44 110.713 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 95' ' ' LYS . . . . . . . . . . . . . 18.2 mmtp -134.82 145.83 56.34 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 115.907 -0.588 . . . . 14.95 109.925 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 96' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -61.81 142.45 93.65 Favored 'Trans proline' 0 C--O 1.235 0.361 0 C-N-CA 122.711 2.274 . . . . 17.56 112.022 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 13.1 t30 70.86 -95.8 0.0 OUTLIER Pre-proline 0 C--O 1.249 1.054 0 CA-C-O 117.911 -1.043 . . . . 18.17 111.835 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 98' ' ' PRO . . . . . . . . . . . . . . . . . . . . 1 C--N 1.249 -4.685 0 O-C-N 122.799 0.894 . . . . 15.75 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.425 0 CA-C-O 120.807 0.337 . . . . 10.47 110.093 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 34.7 mmm -81.82 -179.93 7.58 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.53 -0.544 . . . . 11.61 109.53 179.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -84.93 15.62 3.89 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.571 0.224 . . . . 10.77 110.994 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 58.0 61.72 2.28 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.349 0.595 . . . . 8.18 110.194 -179.286 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -65.99 143.69 57.21 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.203 -0.908 . . . . 10.11 110.579 -179.415 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 61.8 mttm -57.6 -33.85 68.63 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.094 -0.503 . . . . 11.15 111.666 -179.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.4 pm0 -68.94 -35.86 77.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.479 -0.328 . . . . 11.43 111.01 179.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -65.85 -46.23 79.26 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 109.441 -0.577 . . . . 8.91 109.441 179.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 40.6 mt -61.49 -47.21 94.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.325 -0.852 . . . . 6.78 110.078 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.57 -42.09 91.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.072 -0.513 . . . . 7.12 110.812 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.09 -43.38 98.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.991 -0.549 . . . . 7.6 110.591 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 39.5 mt -67.24 -35.48 79.65 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.385 -0.37 . . . . 5.62 110.927 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 92.9 mt -65.82 -51.5 60.89 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 CA-C-N 116.184 -0.462 . . . . 4.53 110.527 179.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.2 m -66.27 -33.13 61.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 C-N-CA 121.005 -0.278 . . . . 6.96 111.064 179.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -66.65 -36.89 83.64 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.292 -0.632 . . . . 7.61 109.292 178.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 57.2 t80 -62.28 -49.92 73.74 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.656 -0.702 . . . . 5.51 110.01 178.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -60.53 -40.64 92.23 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.178 -0.465 . . . . 6.35 110.422 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.3 m -63.52 -42.75 98.45 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.803 -0.635 . . . . 8.01 110.456 179.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 39.1 m -59.91 -34.35 73.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.099 0.476 . . . . 8.27 110.365 179.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 79.5 mt -67.81 -48.04 77.19 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 CA-C-N 115.896 -0.593 . . . . 8.37 110.743 179.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 35.1 m -72.22 -22.42 20.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 N-CA-C 112.336 0.495 . . . . 9.63 112.336 -179.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -57.65 -52.69 64.38 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.397 0.617 . . . . 10.98 110.288 178.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 24.7 pttt -97.48 5.83 49.08 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.726 -0.67 . . . . 11.09 110.631 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 37.9 tttm 55.16 55.91 7.07 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.701 -0.681 . . . . 12.07 111.223 -179.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -92.1 36.03 0.98 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.595 -0.73 . . . . 9.58 109.738 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 16.4 tt -162.32 156.1 2.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.443 -0.799 . . . . 9.5 110.088 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.95 152.58 41.33 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.082 -0.508 . . . . 10.1 110.54 179.604 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -56.63 -35.77 68.7 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.185 -0.461 . . . . 11.9 111.845 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -61.52 -44.88 96.26 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 109.835 -0.432 . . . . 10.3 109.835 179.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.46 -37.72 58.38 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.85 -0.614 . . . . 8.75 111.65 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.28 -35.61 77.8 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 121.049 0.452 . . . . 8.42 110.213 179.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -60.47 -45.01 95.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.797 -0.638 . . . . 9.73 109.763 179.171 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.5 m -65.56 -31.12 72.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.75 -0.659 . . . . 8.02 110.634 178.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 78.3 mt -70.74 -33.45 70.85 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.87 0.367 . . . . 6.89 110.326 179.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -60.17 -34.97 74.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.933 -0.576 . . . . 9.79 111.248 179.65 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.1 p -89.86 -38.73 11.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.403 -0.362 . . . . 9.6 111.119 179.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.63 -50.84 71.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.666 -0.243 . . . . 7.62 111.193 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 27.8 ttm -58.39 -37.0 74.4 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.412 0.625 . . . . 8.19 110.364 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -67.67 -42.52 82.02 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.154 -0.93 . . . . 11.12 110.522 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 79.4 m -65.52 -37.34 86.47 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.1 -0.5 . . . . 9.77 110.796 179.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 84.2 mt -63.05 -41.8 94.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.149 0.5 . . . . 9.06 109.785 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.6 m -59.2 -53.35 59.28 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.473 -0.785 . . . . 10.96 111.719 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -65.69 -35.95 82.23 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 112.101 0.408 . . . . 12.89 112.101 -179.083 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.52 -36.46 83.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.457 -0.338 . . . . 11.68 111.799 -179.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -91.86 -2.88 56.65 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.803 0.335 . . . . 11.93 111.866 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.66 30.51 68.5 Favored Glycine 0 CA--C 1.519 0.3 0 C-N-CA 121.161 -0.543 . . . . 13.13 113.618 179.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 7.5 p90 -128.99 145.32 51.27 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.875 0.337 . . . . 12.01 110.206 179.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -83.36 144.41 29.68 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.905 0.383 . . . . 14.85 111.412 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 27.0 ttp180 -58.03 -32.93 68.44 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.565 -0.743 . . . . 12.02 111.585 -179.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.72 2.21 23.63 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.713 0.634 . . . . 13.0 112.713 -179.239 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -105.0 3.09 30.23 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.809 0.338 . . . . 12.82 111.301 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.3 p -58.53 -39.78 76.58 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 CA-C-N 116.262 -0.426 . . . . 10.88 111.331 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.38 -37.41 86.9 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.108 -0.497 . . . . 12.18 110.822 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -69.29 -45.44 61.04 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.928 -0.653 . . . . 12.77 111.758 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 87.3 mt -61.87 -47.53 92.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.745 0.307 . . . . 11.54 110.621 179.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 89.6 mt -63.58 -37.83 88.83 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.46 -0.337 . . . . 10.42 111.217 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -65.15 -31.56 81.12 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 121.092 -0.575 . . . . 12.46 113.261 -179.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -96.13 8.36 44.01 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.131 0.419 . . . . 14.49 112.131 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 19.4 m -118.03 170.2 9.04 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.587 -0.278 . . . . 10.83 110.436 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -71.95 -23.54 61.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.887 0.375 . . . . 10.68 111.422 -179.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -82.43 39.41 0.6 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.207 -0.451 . . . . 8.55 112.05 -178.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 12.2 ptmt -87.15 120.61 28.61 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.989 0.423 . . . . 13.32 111.009 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 90.17 12.78 61.26 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.971 -0.633 . . . . 9.82 112.168 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -125.71 159.01 33.38 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.852 0.358 . . . . 9.22 110.649 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 4.3 m80 -122.11 158.43 29.3 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.075 -0.713 . . . . 9.01 109.075 179.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 20.8 tp -58.19 -31.66 67.51 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.809 0.338 . . . . 4.77 111.518 -179.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.31 -58.7 5.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.089 -0.505 . . . . 5.96 111.549 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -60.87 -37.89 83.69 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 112.612 0.597 . . . . 7.82 112.612 -179.371 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.79 -47.86 89.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.887 0.375 . . . . 5.79 110.469 179.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.9 mp -72.31 -23.98 61.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 5.97 110.885 179.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -71.61 -33.97 69.44 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.202 -0.454 . . . . 9.81 110.272 179.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 11.1 m -82.17 -9.19 59.6 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.645 -0.707 . . . . 7.98 110.744 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -69.03 96.8 0.81 Allowed 'General case' 0 C--O 1.237 0.426 0 CA-C-O 121.329 0.585 . . . . 7.06 111.091 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 12.8 m -86.78 108.39 18.69 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.578 -0.737 . . . . 9.21 109.87 179.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -125.4 127.35 46.42 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.081 -0.509 . . . . 9.55 109.98 -179.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 13.3 t -106.52 116.64 58.73 Favored Pre-proline 0 C--N 1.319 -0.738 0 N-CA-C 109.663 -0.495 . . . . 12.15 109.663 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_exo -71.61 73.48 2.3 Favored 'Trans proline' 0 C--O 1.233 0.256 0 C-N-CA 123.174 2.583 . . . . 12.82 112.195 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -80.07 90.7 5.43 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.026 -0.534 . . . . 14.19 110.929 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 40.4 m . . . . . 0 C--O 1.248 0.987 0 N-CA-C 109.208 -0.664 . . . . 15.67 109.208 179.766 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 50.0 ttp . . . . . 0 N--CA 1.48 1.061 0 CA-C-O 120.641 0.258 . . . . 11.23 110.855 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 94.3 mmm -80.97 53.83 2.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.713 -0.221 . . . . 13.11 110.968 179.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 14.7 m 62.95 101.12 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.066 -0.515 . . . . 11.68 111.214 -178.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.61 103.7 0.22 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.043 -0.526 . . . . 8.3 111.286 -179.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 1.4 m -78.41 163.52 25.56 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.692 -0.686 . . . . 9.28 110.684 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -59.67 -43.87 93.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.287 -0.415 . . . . 8.73 111.339 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 6.9 pm0 -63.76 -36.19 83.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.288 -0.414 . . . . 9.58 111.295 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -69.64 -44.35 70.8 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.109 -0.496 . . . . 8.61 110.707 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 90.3 mt -65.53 -43.58 94.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.144 -0.48 . . . . 5.19 110.129 179.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.0 -38.48 82.72 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.889 -0.596 . . . . 4.42 110.951 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.76 -39.58 89.29 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.346 -0.388 . . . . 5.79 110.678 179.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 77.7 mt -71.42 -34.94 70.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 4.52 110.403 179.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 97.9 mt -64.61 -51.13 71.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.934 -0.576 . . . . 4.37 110.526 179.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 30.6 m -66.78 -31.77 55.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.546 -0.297 . . . . 6.25 110.86 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -64.29 -42.49 96.38 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.56 -0.533 . . . . 7.24 109.56 178.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -61.34 -47.96 83.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.572 -0.74 . . . . 7.41 110.332 179.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 19.9 m-30 -62.18 -39.13 91.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.276 -0.42 . . . . 8.36 110.894 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 41.3 m -65.98 -33.87 76.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.077 -0.511 . . . . 9.5 110.515 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 33.6 m -70.05 -24.07 63.2 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.099 0.476 . . . . 9.77 110.919 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 91.3 mt -77.23 -46.85 27.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.969 -0.56 . . . . 11.09 110.03 179.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 35.5 m -80.33 -2.91 5.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.008 -0.542 . . . . 12.38 111.368 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.02 -41.83 34.46 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.738 -0.665 . . . . 13.19 110.789 179.508 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 10.3 pttm -115.01 8.44 15.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.482 -0.326 . . . . 13.7 111.528 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 21.1 ttmm 60.91 67.14 0.84 Allowed 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.513 -0.767 . . . . 16.11 112.006 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -86.51 -20.74 27.59 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.999 -0.546 . . . . 12.56 110.348 179.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 7.9 tp -116.01 169.89 6.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.144 -0.48 . . . . 13.67 110.744 -179.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 5.6 p -72.29 168.16 18.91 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.878 0.37 . . . . 15.14 111.378 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.7 -32.14 73.17 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.855 0.687 . . . . 16.66 112.855 -179.271 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 20.4 p-10 -74.64 -42.07 59.21 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.742 -0.383 . . . . 15.52 110.506 179.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.43 -35.6 91.57 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.792 -0.718 . . . . 13.62 111.416 178.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.06 -32.01 73.51 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.813 0.339 . . . . 12.71 110.798 179.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -67.5 -49.32 63.99 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.386 -0.598 . . . . 13.38 109.386 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 3.6 m -61.15 -40.56 94.3 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.81 -0.632 . . . . 11.95 110.655 179.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 47.1 mt -62.13 -37.33 84.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.247 -0.433 . . . . 10.13 110.758 179.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -65.32 -36.64 84.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.072 -0.513 . . . . 11.27 109.845 179.537 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 98.7 t -70.07 -48.63 61.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.048 -0.524 . . . . 10.04 109.719 179.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.54 -36.23 77.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.993 -0.549 . . . . 8.58 110.923 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 43.9 ttm -55.62 -41.18 73.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.101 -0.5 . . . . 7.93 110.931 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -72.73 -46.04 55.59 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.834 -0.621 . . . . 9.48 110.554 179.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 27.6 m -57.1 -42.74 81.36 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.703 -0.68 . . . . 8.46 111.66 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 95.2 mt -66.7 -43.77 89.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.84 0.352 . . . . 6.23 110.668 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 49.2 m -58.22 -52.3 66.17 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.989 -0.55 . . . . 7.39 112.167 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -67.99 -31.52 71.28 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.237 0.458 . . . . 8.81 112.237 -179.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.54 -46.45 85.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.846 0.355 . . . . 7.38 111.422 -179.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -81.86 -22.02 37.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 8.09 111.848 -179.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.83 56.39 1.52 Allowed Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.704 -0.76 . . . . 9.43 113.141 179.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 21.3 p90 -161.68 170.29 19.98 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.825 -0.435 . . . . 8.7 109.825 179.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -119.39 147.12 44.72 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.766 0.317 . . . . 11.16 110.783 179.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 49.8 ttp180 -57.06 -34.95 68.78 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.667 -0.697 . . . . 11.12 111.554 -179.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 18.9 mp0 -69.22 -5.14 20.85 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.53 0.567 . . . . 11.8 112.53 -179.143 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -116.0 13.86 15.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.756 0.312 . . . . 10.53 111.204 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 8.1 p -64.93 -31.42 53.82 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 CA-C-N 116.446 -0.343 . . . . 9.19 111.852 -179.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 1.7 m -67.19 -32.37 73.4 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 121.032 0.444 . . . . 10.94 110.989 -179.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -71.96 -28.28 68.94 Favored Glycine 0 N--CA 1.451 -0.351 0 N-CA-C 111.729 -0.548 . . . . 11.05 111.729 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 59.4 mt -81.27 -53.22 12.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.949 0.404 . . . . 9.74 109.996 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 78.4 mt -61.31 -33.15 73.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.067 -0.515 . . . . 9.17 111.675 -179.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -79.05 -10.9 85.72 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.987 -0.625 . . . . 11.56 112.271 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -98.14 -39.21 9.0 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.233 0.54 . . . . 12.67 110.048 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 68.9 m -79.05 168.79 19.17 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.625 -0.716 . . . . 9.82 110.938 179.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -80.8 14.59 2.1 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.033 -0.531 . . . . 10.24 111.219 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -97.71 7.38 46.53 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.938 0.399 . . . . 7.84 110.946 -179.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 11.3 ptmt -65.19 122.69 17.68 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.953 -0.567 . . . . 11.89 110.992 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 89.0 10.45 66.44 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.706 -0.759 . . . . 8.65 111.567 -179.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -125.31 159.38 31.86 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.939 0.399 . . . . 7.81 110.267 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 36.2 m80 -125.63 156.92 38.45 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.038 -0.727 . . . . 8.35 109.038 179.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 27.0 tp -57.34 -45.17 84.56 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.844 0.354 . . . . 4.32 111.274 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.52 -35.72 79.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 5.79 111.079 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -63.12 -40.78 98.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.918 -0.583 . . . . 6.75 111.373 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 82.6 mt -70.43 -42.68 78.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.969 -0.56 . . . . 4.76 111.26 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 6.9 mp -64.95 -24.44 67.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.019 0.437 . . . . 5.48 111.66 -179.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 28.2 t30 -75.27 -42.6 54.64 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.068 -0.514 . . . . 8.15 110.943 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.85 -48.72 10.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.027 -0.533 . . . . 6.84 112.06 -178.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -76.33 93.06 3.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.194 0.521 . . . . 6.55 110.941 -179.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 22.0 m -129.85 160.4 33.63 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.011 -0.541 . . . . 8.4 110.931 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 55.8 mtp180 -136.59 156.2 48.89 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.337 -0.392 . . . . 10.77 109.971 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 46.9 t -85.7 118.21 70.18 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 116.282 -0.417 . . . . 11.96 110.147 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -60.45 107.96 0.48 Allowed 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 123.034 2.49 . . . . 13.1 112.556 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -80.2 94.76 6.11 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.064 -0.516 . . . . 14.34 110.56 179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 51.1 m . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.285 -0.864 . . . . 16.55 109.68 179.852 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 24.6 t . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.446 -0.576 . . . . 9.99 109.446 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 21' ' ' HIS . . . . . . . . . . . . . 50.1 t60 -76.33 123.86 26.6 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.884 -0.598 . . . . 9.56 110.923 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 22' ' ' LEU . . . . . . . . . . . . . 92.7 mt -133.92 139.67 46.3 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.123 -0.489 . . . . 6.88 110.8 179.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 23' ' ' THR . . . . . . . . . . . . . 5.7 m -105.13 117.56 34.31 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.077 -0.712 . . . . 8.91 109.077 179.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 24' ' ' LEU . . . . . . . . . . . . . 31.3 mt -97.14 119.29 35.35 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.832 -0.167 . . . . 8.66 110.929 -179.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 29.1 tttt -129.36 130.47 46.09 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 123.266 0.354 . . . . 14.0 111.395 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -94.54 136.9 34.32 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.999 -0.371 . . . . 14.52 109.999 179.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 27' ' ' ILE . . . . . . . . . . . . . 9.1 pt -83.31 -38.63 14.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 112.165 0.432 . . . . 14.88 112.165 -179.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 15.0 mp0 -69.46 133.85 48.23 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.776 -0.193 . . . . 15.23 110.673 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.18 142.45 92.78 Favored Pre-proline 0 C--N 1.33 -0.28 0 O-C-N 123.157 0.286 . . . . 18.5 110.445 179.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 30' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -75.03 140.8 69.31 Favored 'Cis proline' 0 C--N 1.343 0.243 0 C-N-CA 123.341 -1.525 . . . . 17.48 112.017 -0.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -83.44 150.63 25.91 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.503 -0.317 . . . . 17.92 111.218 -179.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 17.8 p90 -150.21 147.76 28.09 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.896 -0.593 . . . . 13.5 109.812 178.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 33' ' ' SER . . . . . . . . . . . . . 15.0 m -131.93 101.16 5.32 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.427 -0.351 . . . . 12.59 110.281 179.174 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 42.7 pt -108.03 149.23 11.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.477 -0.329 . . . . 10.72 110.114 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 35' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -121.31 144.45 48.63 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.113 0.482 . . . . 10.54 111.343 -179.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 36' ' ' HIS . . . . . . . . . . . . . 16.2 t60 -159.01 157.7 31.75 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.833 -0.621 . . . . 10.1 109.921 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -112.78 113.54 25.68 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.938 0.399 . . . . 9.77 109.996 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 38' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -97.7 177.51 5.46 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.156 -0.474 . . . . 9.82 110.728 -179.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -96.25 153.84 38.91 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 116.36 -0.382 . . . . 11.97 110.07 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -66.15 -23.53 52.77 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.387 2.058 . . . . 12.89 111.387 179.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.33 -5.12 59.25 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.676 -0.693 . . . . 14.73 111.542 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -77.0 159.65 29.75 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 120.908 0.385 . . . . 11.77 110.421 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 74.1 p -115.86 174.2 6.15 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.43 -0.581 . . . . 11.41 109.43 179.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 47.7 mm -62.27 -29.99 47.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.12 0.486 . . . . 8.13 110.044 179.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 45.4 tp -62.44 -36.2 81.64 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 115.766 -0.652 . . . . 12.88 110.711 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 46' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -63.08 -36.79 84.75 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.35 -0.386 . . . . 12.59 110.704 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 60.7 mt -65.77 -42.94 93.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 109.361 -0.607 . . . . 8.04 109.361 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -61.75 -45.39 94.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.516 -0.766 . . . . 10.51 110.411 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -61.26 -34.66 75.54 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.194 -0.457 . . . . 14.34 110.664 179.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -73.39 -30.71 63.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.031 -0.531 . . . . 11.16 111.343 -179.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 30.9 mt -66.68 -27.38 67.61 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.975 0.417 . . . . 12.37 111.025 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 52' ' ' ILE . . . . . . . . . . . . . 56.2 mt -73.98 -40.94 52.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.117 -0.492 . . . . 15.35 110.542 179.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 3.7 p -67.75 -27.53 66.86 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.945 0.403 . . . . 15.02 111.208 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 54' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -86.61 8.88 20.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.357 -0.383 . . . . 14.38 110.077 179.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 58.73 36.44 24.87 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 115.569 -0.741 . . . . 18.85 112.778 179.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 41.5 mmtm -103.9 -10.32 18.26 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.518 -0.31 . . . . 14.91 111.244 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.63 169.28 21.94 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 116.418 -0.355 . . . . 15.28 110.358 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 58' ' ' SER . . . . . . . . . . . . . 41.3 t -113.44 -44.45 3.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.825 0.345 . . . . 17.75 110.934 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 59' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -125.93 154.01 43.43 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.34 -0.391 . . . . 19.98 111.257 -179.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 35.0 mm -66.27 -36.88 78.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.856 -0.611 . . . . 14.55 110.096 179.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.04 -21.95 66.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.516 -0.766 . . . . 14.99 112.066 -179.304 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -78.76 -28.53 44.79 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.332 -0.395 . . . . 16.71 110.621 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 63' ' ' ILE . . . . . . . . . . . . . 17.8 mt -78.69 108.82 12.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 113.184 0.809 . . . . 11.09 113.184 -177.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 64' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -113.9 111.2 21.33 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.059 -1.089 . . . . 10.01 108.059 178.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 86.5 mt -102.13 150.24 23.47 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.912 0.386 . . . . 5.92 111.852 -178.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -139.94 146.22 38.9 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.073 -0.512 . . . . 7.57 111.202 179.759 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 69.2 tp -137.43 90.7 2.53 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.774 -0.648 . . . . 7.44 109.792 178.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.31 73.53 0.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.786 -0.643 . . . . 13.3 111.938 179.586 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 75.71 -42.35 1.52 Allowed Glycine 0 CA--C 1.523 0.557 0 N-CA-C 114.378 0.511 . . . . 8.93 114.378 179.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.17 138.14 38.54 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.885 0.374 . . . . 9.68 111.857 -179.42 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 71' ' ' VAL . . . . . . . . . . . . . 94.3 t -85.48 130.07 36.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.044 -0.526 . . . . 7.05 109.645 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 69.3 mt -80.91 100.81 9.08 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.14 0.495 . . . . 5.9 110.465 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 73' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -82.53 153.37 25.58 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.524 -0.762 . . . . 9.1 110.374 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -56.56 -39.33 73.26 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.965 0.412 . . . . 9.91 111.187 -179.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 75' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -80.84 66.15 6.25 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.697 -0.683 . . . . 13.96 111.002 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 76' ' ' LEU . . . . . . . . . . . . . 63.8 tp -157.16 132.34 9.01 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.647 -0.706 . . . . 9.58 109.862 179.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -88.3 146.96 25.02 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.254 -0.43 . . . . 14.32 110.824 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 17.4 mt -69.37 -12.54 61.75 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.149 -0.478 . . . . 9.58 111.297 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 79' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.24 -10.11 59.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.983 0.42 . . . . 12.92 111.052 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 80' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -112.13 8.8 20.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.429 0.633 . . . . 12.44 110.41 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 14.9 mt -73.87 124.09 25.47 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.036 -0.529 . . . . 10.15 110.553 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 82' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -82.63 64.61 7.35 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.219 0.533 . . . . 12.59 110.324 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 11.9 m -105.39 137.62 34.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.784 -0.643 . . . . 11.5 111.361 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 84' ' ' THR . . . . . . . . . . . . . 19.5 p -134.89 175.35 3.7 Favored Pre-proline 0 C--N 1.321 -0.666 0 N-CA-C 108.957 -0.757 . . . . 13.96 108.957 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 85' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -53.31 -28.47 43.27 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 122.468 2.112 . . . . 14.91 112.014 178.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -80.39 -61.83 1.86 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.952 0.406 . . . . 15.11 110.566 179.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 87' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -101.36 87.47 3.22 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.054 0.454 . . . . 12.37 111.959 -179.678 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 88' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -121.1 8.99 10.42 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.817 -0.629 . . . . 10.56 110.033 179.397 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 89' ' ' THR . . . . . . . . . . . . . 2.4 m -99.21 131.94 44.88 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.627 -0.715 . . . . 9.87 111.233 -179.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 90' ' ' ILE . . . . . . . . . . . . . 46.8 mm -104.0 131.24 53.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 109.185 -0.672 . . . . 6.59 109.185 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 91' ' ' THR . . . . . . . . . . . . . 7.3 m -82.71 123.66 29.5 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.848 0.356 . . . . 8.75 110.885 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 92' ' ' VAL . . . . . . . . . . . . . 29.1 t -106.05 127.99 60.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.007 -0.542 . . . . 9.58 110.475 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 93' ' ' MET . . . . . . . . . . . . . 79.8 mtp -125.21 145.64 49.88 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.125 -0.695 . . . . 10.9 109.125 178.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 94' ' ' ILE . . . . . . . . . . . . . 74.3 mt -124.59 120.96 60.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 123.222 0.326 . . . . 13.44 110.445 179.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 95' ' ' LYS . . . . . . . . . . . . . 16.4 mmtp -134.97 139.4 31.99 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 116.203 -0.453 . . . . 14.95 111.15 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 96' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -75.11 92.07 1.01 Allowed 'Trans proline' 0 N--CA 1.462 -0.359 0 C-N-CA 122.359 2.039 . . . . 17.56 111.954 179.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 4.8 t30 75.22 93.2 0.05 OUTLIER Pre-proline 0 C--O 1.246 0.902 0 CA-C-N 115.605 -0.725 . . . . 18.17 111.764 179.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 98' ' ' PRO . . . . . . . . . . . . . . . . . . . . 1 C--N 1.251 -4.571 0 O-C-N 122.702 0.843 . . . . 15.75 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.452 ' H2 ' ' CD ' ' A' ' 73' ' ' GLU . 30.7 ttm . . . . . 0 N--CA 1.482 1.169 0 CA-C-O 120.804 0.335 . . . . 10.47 111.224 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 23.4 mmt -85.87 -69.59 0.65 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.35 -0.387 . . . . 11.61 111.528 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.9 m -146.3 -36.09 0.26 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.628 0.603 . . . . 10.77 112.628 -179.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 61.96 53.81 2.96 Favored 'General case' 0 N--CA 1.462 0.148 0 N-CA-C 108.417 -0.957 . . . . 8.18 108.417 -178.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.5 m -71.74 167.17 20.46 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.388 -1.278 . . . . 10.11 112.262 -178.29 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 18.3 mtmm -56.1 -42.63 77.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.626 -0.716 . . . . 11.15 112.138 -179.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.8 pm0 -67.45 -35.61 79.54 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.571 0.224 . . . . 11.43 111.181 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -68.32 -43.17 78.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.106 0.479 . . . . 8.91 110.139 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 87.2 mt -69.03 -42.52 82.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.719 -0.673 . . . . 6.78 110.428 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.53 -39.24 79.59 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.272 -0.422 . . . . 7.12 110.946 179.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.89 -39.74 90.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.849 -0.614 . . . . 7.6 110.502 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 77.6 mt -68.51 -38.76 81.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.435 . . . . 5.62 110.644 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 88.1 mt -61.41 -52.97 54.93 Favored 'Isoleucine or valine' 0 C--O 1.236 0.351 0 CA-C-N 115.75 -0.659 . . . . 4.53 110.428 179.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 26.9 m -66.94 -32.5 58.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.406 -0.361 . . . . 6.96 110.973 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 32.5 t30 -61.27 -43.92 98.09 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.962 0.411 . . . . 7.61 109.901 178.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -63.71 -49.56 72.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.022 -0.535 . . . . 5.51 110.247 179.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -58.0 -43.14 86.47 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.31 -0.404 . . . . 6.35 110.909 179.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 46.8 m -61.8 -43.05 99.61 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.989 -0.55 . . . . 8.01 110.408 179.29 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.7 m -64.24 -34.3 77.79 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.221 -0.445 . . . . 8.27 110.708 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.18 -48.18 89.63 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 CA-C-N 116.221 -0.445 . . . . 8.37 111.234 179.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 22.0 m -73.69 -27.53 23.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 112.141 0.423 . . . . 9.63 112.141 -179.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -63.87 -39.12 93.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.753 0.311 . . . . 10.98 111.797 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.6 pttt -106.45 11.17 31.06 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.813 0.301 . . . . 11.09 111.813 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 34.7 tttm 53.38 61.72 3.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.983 -0.553 . . . . 12.07 112.064 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -95.45 7.25 46.78 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.937 -0.574 . . . . 9.58 110.63 179.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 16.3 tt -142.07 159.2 20.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.743 -0.662 . . . . 9.5 109.61 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.37 163.53 27.49 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.765 0.317 . . . . 10.1 110.954 -179.707 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.6 mp0 -57.93 -38.87 76.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.261 0.553 . . . . 11.9 109.812 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -57.3 -44.81 84.42 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.084 -0.962 . . . . 10.3 110.933 179.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.05 -33.77 70.03 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 121.1 -0.571 . . . . 8.75 112.255 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.91 -33.92 76.81 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.145 0.498 . . . . 8.42 110.143 179.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -61.58 -46.33 90.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.488 -0.778 . . . . 9.73 110.189 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -65.82 -35.05 79.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.876 -0.602 . . . . 8.02 110.829 179.756 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 71.1 mt -66.69 -27.74 67.89 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 116.441 -0.345 . . . . 6.89 111.415 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -60.48 -29.95 69.38 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.008 -0.542 . . . . 9.79 111.271 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.2 p -102.31 -34.56 3.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 C-N-CA 120.709 -0.396 . . . . 9.6 111.505 179.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.55 -52.6 64.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.481 -0.327 . . . . 7.62 111.459 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 43.0 ttm -62.87 -37.24 86.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.123 0.487 . . . . 8.19 110.754 -179.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -63.29 -45.7 90.17 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.614 -0.721 . . . . 11.12 110.932 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 83.5 m -64.55 -43.48 93.79 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.117 -0.492 . . . . 9.77 111.409 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 96.5 mt -59.37 -42.99 89.22 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-O 120.84 0.353 . . . . 9.06 110.916 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 18.4 m -57.81 -58.41 8.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.794 -0.639 . . . . 10.96 112.016 -179.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -65.27 -31.64 72.89 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.846 0.684 . . . . 12.89 112.846 -178.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.59 -49.35 71.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.638 0.256 . . . . 11.68 111.203 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -76.42 -15.39 59.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.892 0.377 . . . . 11.93 111.47 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.26 32.11 20.86 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.759 -0.734 . . . . 13.13 112.887 179.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 17.1 p90 -128.9 156.22 44.04 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.796 0.331 . . . . 12.01 110.611 179.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 74.3 mt-10 -96.16 142.76 27.96 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.581 -0.282 . . . . 14.85 110.704 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 43.4 ttp180 -58.71 -40.91 85.07 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.145 0.498 . . . . 12.02 110.787 179.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.9 -7.44 48.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.775 -0.648 . . . . 13.0 111.782 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -98.71 5.3 47.71 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 111.696 0.258 . . . . 12.82 111.696 -179.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 13.5 p -59.8 -36.72 67.89 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 CA-C-O 120.896 0.379 . . . . 10.88 111.173 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -65.32 -34.08 77.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.11 -0.496 . . . . 12.18 110.189 179.461 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -69.68 -48.75 40.84 Favored Glycine 0 N--CA 1.443 -0.879 0 CA-C-N 115.738 -0.665 . . . . 12.77 111.943 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 49.8 mt -60.05 -51.5 72.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.688 0.28 . . . . 11.54 110.905 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 96.2 mt -62.67 -31.91 72.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.826 0.346 . . . . 10.42 111.296 -179.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -68.48 -33.03 76.04 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 121.032 -0.604 . . . . 12.46 113.355 -179.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -94.75 -23.79 17.39 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.273 0.472 . . . . 14.49 112.273 -179.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 14.7 m -78.75 -179.58 6.6 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.921 0.391 . . . . 10.83 111.266 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.452 ' CD ' ' H2 ' ' A' ' 14' ' ' MET . 7.5 pt-20 -82.35 -30.36 30.43 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.059 -0.518 . . . . 10.68 111.344 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -81.95 58.71 4.01 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.109 0.48 . . . . 8.55 111.572 -178.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 11.5 ptmt -98.14 115.86 29.18 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.053 0.454 . . . . 13.32 111.154 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 90.51 17.37 52.75 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.805 -0.712 . . . . 9.82 111.755 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 25.4 mm-40 -127.56 130.4 49.02 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 110.189 -0.301 . . . . 9.22 110.189 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 48.7 m80 -88.58 160.71 17.31 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.372 -0.973 . . . . 9.01 108.372 178.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 27.4 tp -57.33 -37.95 73.34 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.046 0.45 . . . . 4.77 111.131 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.78 -35.67 77.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.982 -0.554 . . . . 5.96 111.421 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -60.46 -48.46 81.66 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.032 0.444 . . . . 7.82 110.822 -179.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 53.5 mt -64.03 -47.84 88.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.788 -0.642 . . . . 5.79 110.595 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.3 mp -63.12 -33.74 76.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.876 -0.602 . . . . 5.97 111.575 -179.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -74.09 -39.22 63.56 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.315 -0.402 . . . . 9.81 110.756 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 42.2 m -65.42 -34.78 79.1 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.19 0.519 . . . . 7.98 110.049 179.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -68.86 130.95 44.27 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.748 -0.66 . . . . 7.06 110.844 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 15.4 m -119.57 101.02 7.63 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.942 -0.572 . . . . 9.21 110.21 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.13 118.13 30.18 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.069 -0.514 . . . . 9.55 111.248 -179.024 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 17.5 t -97.53 107.19 37.76 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 116.108 -0.496 . . . . 12.15 109.783 179.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -75.67 111.65 3.34 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.726 2.284 . . . . 12.82 111.417 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -128.97 74.2 1.56 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.981 0.419 . . . . 14.19 110.516 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.1 p . . . . . 0 C--O 1.247 0.951 0 CA-C-N 116.006 -0.543 . . . . 15.67 110.593 179.952 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' MET . . . . . 0.455 ' H2 ' ' CD ' ' B' ' 73' ' ' GLU . 42.9 ttp . . . . . 0 N--CA 1.485 1.325 0 CA-C-O 120.829 0.347 . . . . 11.23 111.491 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 22.3 mmt -94.54 29.89 2.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.549 -0.296 . . . . 13.11 111.291 -179.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 11.3 m 64.54 104.65 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.236 0 O-C-N 123.681 0.613 . . . . 11.68 111.429 -179.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.8 109.96 1.6 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.811 -0.631 . . . . 8.3 111.339 -179.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -86.74 160.31 18.86 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.035 -0.53 . . . . 9.28 110.191 179.642 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -52.06 -44.17 64.16 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 113.087 0.773 . . . . 8.73 113.087 -178.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 3.9 pm0 -64.85 -37.01 86.19 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.904 0.383 . . . . 9.58 111.423 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -71.15 -38.42 72.21 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.141 -0.481 . . . . 8.61 110.345 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 79.3 mt -67.55 -45.68 84.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.923 -0.581 . . . . 5.19 109.531 178.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.65 -36.24 78.21 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.847 -0.615 . . . . 4.42 110.681 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.15 -42.61 95.25 Favored 'General case' 0 CA--C 1.522 -0.134 0 CA-C-N 116.028 -0.533 . . . . 5.79 110.515 179.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 29.5 mt -69.61 -33.33 72.51 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.323 -0.399 . . . . 4.52 110.518 179.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 98.4 mt -64.68 -52.24 57.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.912 -0.585 . . . . 4.37 110.313 179.36 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 30.6 m -66.81 -33.52 63.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-O 120.758 0.313 . . . . 6.25 110.648 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -63.64 -43.1 97.81 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.279 -0.637 . . . . 7.24 109.279 178.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -60.96 -47.45 86.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.495 -0.775 . . . . 7.41 110.448 179.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 17.5 m-30 -61.89 -39.19 91.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.045 -0.525 . . . . 8.36 110.159 179.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 30.9 m -64.87 -36.95 86.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.032 -0.531 . . . . 9.5 110.026 178.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 14.4 m -65.33 -27.81 68.86 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.167 0.508 . . . . 9.77 110.244 179.243 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 97.4 mt -78.59 -42.13 25.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.724 -0.671 . . . . 11.09 110.789 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 31.1 m -77.91 -25.02 14.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 113.147 0.795 . . . . 12.38 113.147 -178.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -67.18 -49.0 66.25 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.176 0.436 . . . . 13.19 112.176 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 20.4 pttm -96.09 4.22 52.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.833 0.349 . . . . 13.7 111.892 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 23.3 ttmm 61.93 82.9 0.16 Allowed 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 113.888 1.07 . . . . 16.11 113.888 178.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -111.15 5.96 20.42 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.378 0.609 . . . . 12.56 109.495 178.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 10.7 tp -140.97 153.13 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.567 -0.742 . . . . 13.67 110.09 -179.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 7.0 p -62.38 159.39 15.45 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.845 0.355 . . . . 15.14 111.115 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 24.1 mp0 -57.38 -34.03 68.43 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.138 -0.483 . . . . 16.66 112.101 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -75.55 -37.69 59.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.685 0.278 . . . . 15.52 110.89 179.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.36 -35.37 82.05 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.908 -0.663 . . . . 13.62 111.55 179.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.57 -34.14 77.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.746 0.307 . . . . 12.71 111.007 179.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.11 -49.31 72.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 13.38 109.943 179.725 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 7.4 m -61.76 -39.76 92.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.599 -0.728 . . . . 11.95 110.67 179.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 41.5 mt -66.92 -38.99 87.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.417 -0.356 . . . . 10.13 110.838 179.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -60.02 -54.34 47.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 11.27 110.854 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 10.0 p -65.83 -32.96 60.46 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 CA-C-N 116.327 -0.397 . . . . 10.04 111.295 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.95 -39.79 93.34 Favored 'General case' 0 N--CA 1.456 -0.128 0 N-CA-C 109.675 -0.491 . . . . 8.58 109.675 178.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 64.3 mtm -63.6 -38.48 91.3 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.793 -0.64 . . . . 7.93 109.803 179.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.06 -41.35 98.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.745 -0.661 . . . . 9.48 110.229 179.304 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 33.7 m -59.68 -44.72 93.5 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.635 -0.711 . . . . 8.46 110.142 179.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 50.6 mt -67.07 -36.89 78.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.829 -0.623 . . . . 6.23 110.268 179.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 29.9 m -61.25 -58.0 10.09 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 115.799 -0.637 . . . . 7.39 112.338 -179.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.74 -26.18 66.01 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.339 0.496 . . . . 8.81 112.339 -178.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.42 -41.6 93.39 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.797 0.332 . . . . 7.38 110.874 179.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -86.5 -23.0 26.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.894 0.378 . . . . 8.09 111.331 179.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.52 26.58 7.6 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.955 -0.64 . . . . 9.43 113.475 179.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 21.2 p90 -128.01 179.63 5.47 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 117.042 0.421 . . . . 8.7 111.38 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -125.34 152.64 44.47 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.221 -0.445 . . . . 11.16 109.801 179.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 18.1 ttp-105 -62.8 -26.01 68.52 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.219 0.533 . . . . 11.12 111.249 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -79.27 5.23 12.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.946 -0.57 . . . . 11.8 112.013 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -110.31 2.52 19.18 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.867 0.365 . . . . 10.53 111.009 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 11.3 p -58.31 -41.78 82.09 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 CA-C-N 116.202 -0.454 . . . . 9.19 111.84 -179.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.4 -34.9 79.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.053 0.454 . . . . 10.94 110.683 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.16 -37.11 72.12 Favored Glycine 0 N--CA 1.449 -0.463 0 CA-C-N 115.811 -0.631 . . . . 11.05 111.938 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 75.4 mt -69.45 -52.29 34.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.832 0.349 . . . . 9.74 110.794 179.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 83.2 mt -61.83 -32.98 73.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.042 -0.526 . . . . 9.17 111.014 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -65.92 -22.93 70.76 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 121.094 -0.574 . . . . 11.56 112.376 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -96.72 -53.96 3.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.847 0.356 . . . . 12.67 111.187 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 46.8 m -61.55 166.27 4.27 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.781 -0.645 . . . . 9.82 112.707 -178.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.455 ' CD ' ' H2 ' ' B' ' 14' ' ' MET . 13.1 pt-20 -69.98 -23.67 63.19 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.734 -0.666 . . . . 10.24 111.351 -179.694 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -78.05 81.08 4.46 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.809 -0.632 . . . . 7.84 111.078 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -135.85 139.34 43.34 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.995 -0.548 . . . . 11.89 109.817 179.129 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 80.05 -1.4 80.03 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.633 -0.794 . . . . 8.65 112.319 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 23.7 mm-40 -133.26 134.57 44.12 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.505 -0.554 . . . . 7.81 109.505 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 70.7 m80 -89.88 172.25 9.02 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.81 -0.441 . . . . 8.35 109.81 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 23.8 tp -57.98 -39.65 78.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.974 0.416 . . . . 4.32 110.915 179.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.29 -37.12 82.89 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.112 -0.494 . . . . 5.79 111.344 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -63.84 -46.79 83.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.614 -0.721 . . . . 6.75 111.06 -179.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 77.2 mt -70.48 -36.82 67.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.649 -0.705 . . . . 4.76 111.845 -179.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 3.5 mp -67.05 -39.12 86.86 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.477 0.547 . . . . 5.48 112.477 -179.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -79.72 -5.73 55.81 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.601 0.593 . . . . 8.15 112.601 -179.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.9 p -101.97 -49.1 4.04 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.982 0.42 . . . . 6.84 110.427 178.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -87.02 61.0 6.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.358 0.599 . . . . 6.55 110.544 179.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 5.4 m -89.0 142.42 27.65 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.697 -0.683 . . . . 8.4 111.154 -179.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 37.4 mmm-85 -103.93 148.93 25.59 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.08 -0.509 . . . . 10.77 109.711 179.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 21.4 t -98.79 108.23 47.58 Favored Pre-proline 0 C--N 1.323 -0.564 0 N-CA-C 109.701 -0.481 . . . . 11.96 109.701 179.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -70.63 110.14 2.66 Favored 'Trans proline' 0 N--CA 1.464 -0.264 0 C-N-CA 122.974 2.449 . . . . 13.1 111.769 -179.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -118.74 109.57 16.24 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.963 -0.562 . . . . 14.34 110.485 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 17.3 m . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.295 -0.859 . . . . 16.55 110.262 -179.724 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 40.5 t . . . . . 0 C--O 1.232 0.136 0 CA-C-O 121.289 0.566 . . . . 9.99 109.648 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 21' ' ' HIS . . . . . . . . . . . . . 27.7 t60 -80.16 115.63 19.83 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.523 -0.762 . . . . 9.56 110.456 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 22' ' ' LEU . . . . . . . . . . . . . 95.1 mt -125.08 145.22 50.03 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.871 0.367 . . . . 6.88 111.827 -179.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 23' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -101.45 141.65 34.0 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.957 -0.757 . . . . 8.91 108.957 178.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 24' ' ' LEU . . . . . . . . . . . . . 49.7 mt -124.82 117.48 24.24 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 110.316 -0.253 . . . . 8.66 110.316 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 13.6 ptmt -130.72 138.93 50.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.985 0.421 . . . . 14.0 112.083 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 49.6 tttt -94.08 148.24 22.36 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.973 -0.558 . . . . 14.52 109.555 179.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 27' ' ' ILE . . . . . . . . . . . . . 12.2 pt -92.16 -45.5 14.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 112.392 0.515 . . . . 14.88 112.392 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -79.51 144.68 33.74 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.632 -0.258 . . . . 15.23 111.211 -179.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.11 139.98 82.65 Favored Pre-proline 0 C--N 1.326 -0.449 0 N-CA-C 110.014 -0.365 . . . . 18.5 110.014 179.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 30' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -76.56 144.81 80.15 Favored 'Cis proline' 0 C--N 1.344 0.332 0 C-N-CA 123.476 -1.468 . . . . 17.48 111.45 -0.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -97.68 150.59 21.02 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.07 -0.514 . . . . 17.92 110.916 -179.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 47.8 p90 -138.77 151.99 47.55 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.598 -0.728 . . . . 13.5 109.088 178.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 33' ' ' SER . . . . . . . . . . . . . 49.7 m -141.7 96.47 2.98 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.075 0.464 . . . . 12.59 110.084 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 39.3 pt -114.1 164.38 10.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.892 -0.595 . . . . 10.72 111.051 -179.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 35' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -133.26 142.5 48.55 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.257 -0.429 . . . . 10.54 110.437 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 36' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -152.6 156.8 39.99 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.793 0.33 . . . . 10.1 110.707 179.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -104.15 120.63 41.53 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.966 -0.561 . . . . 9.77 110.179 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 38' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -113.14 -179.47 3.65 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.578 -0.527 . . . . 9.82 109.578 179.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.72 158.17 34.78 Favored Pre-proline 0 C--N 1.321 -0.646 0 N-CA-C 109.814 -0.439 . . . . 11.97 109.814 179.636 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -66.12 -15.7 49.42 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.408 2.072 . . . . 12.89 111.571 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -90.28 -4.13 57.35 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.56 -0.746 . . . . 14.73 110.813 179.446 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -78.99 150.06 32.07 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 109.543 -0.54 . . . . 11.77 109.543 179.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 58.0 p -111.09 171.07 7.69 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 110.044 -0.354 . . . . 11.41 110.044 179.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 41.5 mm -60.18 -30.63 46.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.313 0.578 . . . . 8.13 110.085 178.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.31 -36.65 84.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.614 -0.721 . . . . 12.88 110.554 179.644 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 46' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -64.53 -37.98 89.43 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.294 -0.412 . . . . 12.59 110.917 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 63.8 mt -63.49 -41.74 93.74 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 N-CA-C 109.188 -0.671 . . . . 8.04 109.188 178.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -63.04 -45.6 91.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.374 -0.83 . . . . 10.51 110.211 179.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -59.86 -39.86 86.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.876 -0.602 . . . . 14.34 110.134 179.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -65.97 -38.15 87.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.775 -0.648 . . . . 11.16 110.861 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 43.1 mt -62.59 -33.87 75.84 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.446 -0.343 . . . . 12.37 111.164 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 52' ' ' ILE . . . . . . . . . . . . . 78.8 mt -64.87 -44.52 96.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.32 -0.4 . . . . 15.35 109.938 179.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.88 -24.13 67.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 15.02 111.589 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 54' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -87.43 7.49 28.91 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 110.099 -0.334 . . . . 14.38 110.099 179.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 62.87 28.17 16.28 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.718 -0.674 . . . . 18.85 111.427 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -102.94 -6.47 22.39 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.115 0.413 . . . . 14.91 112.115 -179.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -147.9 162.11 39.95 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.812 0.339 . . . . 15.28 111.698 -179.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 58' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -113.26 -42.37 3.52 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.859 -0.61 . . . . 17.75 109.63 179.418 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 59' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -127.35 171.55 11.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.147 -0.479 . . . . 19.98 110.985 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 37.5 mm -79.72 -38.72 19.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.06 -0.518 . . . . 14.55 111.593 -179.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 1.9 p -66.14 -32.35 73.75 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.237 0.458 . . . . 14.99 112.237 -179.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 69.0 mt-10 -60.22 -30.13 69.19 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.333 -0.394 . . . . 16.71 111.364 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 63' ' ' ILE . . . . . . . . . . . . . 24.1 mt -84.24 97.8 5.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 112.362 0.504 . . . . 11.09 112.362 -178.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 64' ' ' LYS . . . . . . . . . . . . . 17.6 ttmt -98.23 89.08 4.36 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.502 -0.925 . . . . 10.01 108.502 178.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 81.6 mt -75.71 134.91 40.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 5.92 111.511 -179.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 2.6 mt -131.57 150.62 52.08 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.215 -0.448 . . . . 7.57 111.364 -179.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 65.5 tp -137.16 101.38 4.53 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.794 -0.639 . . . . 7.44 109.472 178.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 20.7 mmmt 60.55 24.78 14.45 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 115.97 -0.559 . . . . 13.3 111.989 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 111.8 -29.65 8.37 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.986 -0.626 . . . . 8.93 112.934 179.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.31 132.52 38.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 122.943 -0.151 . . . . 9.68 110.962 -179.49 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 71' ' ' VAL . . . . . . . . . . . . . 42.0 t -81.1 125.51 39.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.209 0.528 . . . . 7.05 109.946 179.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 48.4 mt -84.0 104.47 14.1 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.138 0.494 . . . . 5.9 111.046 -179.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 73' ' ' HIS . . . . . . . . . . . . . 24.0 m-70 -72.38 150.97 42.96 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.73 -0.668 . . . . 9.1 110.56 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -54.5 -35.44 63.14 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 113.019 0.748 . . . . 9.91 113.019 -178.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 75' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -84.19 23.11 1.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 113.041 0.756 . . . . 13.96 113.041 -178.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 76' ' ' LEU . . . . . . . . . . . . . 23.9 tp -105.1 132.54 51.2 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 110.132 -0.321 . . . . 9.58 110.132 179.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -88.71 151.49 22.39 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.233 -0.439 . . . . 14.32 109.966 179.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 13.0 mt -64.83 -17.77 64.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.516 -0.311 . . . . 9.58 111.77 -179.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 79' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.73 -17.96 61.05 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.022 0.439 . . . . 12.92 111.018 179.78 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 80' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -96.02 -3.94 44.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.164 0.507 . . . . 12.44 110.218 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 19.2 mt -71.19 129.37 38.74 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.026 -0.533 . . . . 10.15 110.911 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 82' ' ' LYS . . . . . . . . . . . . . 39.1 mmtm -84.95 59.02 5.35 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.591 -0.522 . . . . 12.59 109.591 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 12.0 m -94.37 141.56 14.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.797 -0.638 . . . . 11.5 111.576 -179.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 84' ' ' THR . . . . . . . . . . . . . 69.5 p -135.76 174.36 4.63 Favored Pre-proline 0 C--N 1.322 -0.628 0 N-CA-C 108.364 -0.976 . . . . 13.96 108.364 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 85' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_exo -60.03 -23.91 74.78 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.107 1.871 . . . . 14.91 110.594 178.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -83.26 -55.69 4.2 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.506 -0.77 . . . . 15.11 109.905 178.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 87' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -106.75 93.86 4.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.461 0.648 . . . . 12.37 111.834 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 88' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.66 8.07 8.24 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.678 -0.692 . . . . 10.56 109.702 179.298 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 89' ' ' THR . . . . . . . . . . . . . 5.4 m -100.36 128.02 46.53 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.486 -0.779 . . . . 9.87 111.411 -178.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 90' ' ' ILE . . . . . . . . . . . . . 39.2 mm -99.08 138.25 24.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.85 -0.613 . . . . 6.59 109.435 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 91' ' ' THR . . . . . . . . . . . . . 1.9 m -86.82 122.42 30.67 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.836 0.351 . . . . 8.75 110.096 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 92' ' ' VAL . . . . . . . . . . . . . 18.6 t -106.3 101.83 13.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.434 -0.348 . . . . 9.58 111.038 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 93' ' ' MET . . . . . . . . . . . . . 13.3 ttt -96.0 125.87 40.84 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.42 -0.956 . . . . 10.9 108.42 178.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 94' ' ' ILE . . . . . . . . . . . . . 66.9 mt -113.08 123.23 68.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 120.873 0.368 . . . . 13.44 111.124 -179.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 95' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -144.13 136.82 13.56 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-N 115.801 -0.636 . . . . 14.95 109.347 179.043 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 96' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -55.65 157.28 15.97 Favored 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 123.163 2.575 . . . . 17.56 112.862 -179.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 7.0 t30 77.03 -87.75 0.0 OUTLIER Pre-proline 0 C--O 1.25 1.109 0 CA-C-O 118.09 -0.957 . . . . 18.17 111.933 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 98' ' ' PRO . . . . . . . . . . . . . . . . . . . . 1 C--N 1.249 -4.694 0 O-C-N 122.992 0.996 . . . . 15.75 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.1 tmt? . . . . . 0 N--CA 1.48 1.048 0 CA-C-O 120.601 0.239 . . . . 10.47 110.464 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 18.0 mmt -70.51 -84.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.356 -0.384 . . . . 11.61 110.906 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.0 m -161.97 -11.27 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.363 -0.381 . . . . 10.77 112.008 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 60.8 74.3 0.45 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 121.462 0.649 . . . . 8.18 109.983 -178.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.5 m -72.38 159.1 34.56 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.299 -0.864 . . . . 10.11 111.7 -178.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.5 mtmm -54.33 -44.89 72.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.848 -0.615 . . . . 11.15 111.538 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -65.46 -34.53 78.5 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.351 -0.386 . . . . 11.43 111.468 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -68.54 -45.87 71.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.059 0.457 . . . . 8.91 110.062 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 75.9 mt -67.96 -43.75 85.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.62 -0.718 . . . . 6.78 110.603 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.85 -36.99 78.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 7.12 110.733 179.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.39 -40.17 89.94 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.994 -0.548 . . . . 7.6 110.499 179.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.2 mt -71.38 -36.57 71.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.938 0.399 . . . . 5.62 110.459 179.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 97.3 mt -61.71 -52.6 58.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.792 -0.64 . . . . 4.53 110.443 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 31.4 m -67.82 -29.64 45.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.443 -0.344 . . . . 6.96 110.791 179.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 45.6 t-20 -63.29 -46.82 85.01 Favored 'General case' 0 CA--C 1.519 -0.25 0 N-CA-C 108.717 -0.845 . . . . 7.61 108.717 178.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 19.1 t80 -60.28 -45.81 92.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.884 -0.598 . . . . 5.51 110.381 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.0 m-30 -58.93 -46.35 88.2 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.151 -0.477 . . . . 6.35 110.562 179.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.9 m -63.2 -42.62 99.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.922 -0.581 . . . . 8.01 110.356 179.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 49.0 m -60.64 -37.17 80.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.313 -0.403 . . . . 8.27 111.192 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 95.3 mt -64.71 -43.28 96.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.492 -0.322 . . . . 8.37 111.1 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 20.9 m -76.64 -23.71 15.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.723 0.296 . . . . 9.63 111.717 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -66.13 -40.83 90.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.217 0.532 . . . . 10.98 110.496 179.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 35.6 pttt -93.42 -4.89 50.54 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.768 -0.651 . . . . 11.09 110.125 179.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.492 ' HZ2' ' CD ' ' A' ' 41' ' ' GLU . 31.6 tttm 58.14 48.85 12.27 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.117 -0.947 . . . . 12.07 111.258 -179.211 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -98.12 27.78 4.4 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.898 -0.592 . . . . 9.58 110.816 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 17.8 tt -139.79 151.97 22.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.75 -0.659 . . . . 9.5 110.184 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.1 m -69.47 154.57 41.81 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.317 -0.402 . . . . 10.1 110.853 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.492 ' CD ' ' HZ2' ' A' ' 37' ' ' LYS . 0.2 OUTLIER -54.38 -41.34 69.09 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.045 -0.525 . . . . 11.9 111.658 -179.771 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -65.22 -43.44 91.48 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.13 -0.486 . . . . 10.3 111.091 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.76 -31.41 70.31 Favored Glycine 0 C--N 1.331 0.287 0 CA-C-N 116.009 -0.541 . . . . 8.75 112.318 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.6 -39.36 93.52 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.82 -0.437 . . . . 8.42 109.82 179.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -65.15 -35.62 81.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.819 -0.628 . . . . 9.73 110.031 179.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.2 m -65.57 -51.01 62.98 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 115.933 -0.576 . . . . 8.02 110.45 179.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 32.8 mt -63.27 -33.67 76.01 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.412 -0.358 . . . . 6.89 110.258 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -61.54 -43.39 98.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.634 -0.712 . . . . 9.79 111.11 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.2 p -81.87 -37.13 14.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 C-N-CA 121.01 -0.276 . . . . 9.6 111.616 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.32 -40.86 95.78 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.688 0.28 . . . . 7.62 110.933 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 44.4 ttm -58.82 -36.55 74.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 8.19 110.88 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -60.08 -54.8 41.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.854 -0.612 . . . . 11.12 110.745 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 4.9 m -63.4 -36.98 85.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.007 -0.542 . . . . 9.77 111.983 -179.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 86.9 mt -64.88 -43.64 96.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.819 0.342 . . . . 9.06 111.145 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 37.6 m -54.09 -58.72 6.28 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.0 -0.545 . . . . 10.96 112.442 -179.074 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -66.01 -29.57 69.97 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.788 0.662 . . . . 12.89 112.788 -178.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.4 -42.56 96.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.887 0.375 . . . . 11.68 111.372 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -91.26 -3.21 57.11 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.306 -0.407 . . . . 11.93 111.509 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 74.73 45.95 20.07 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.834 -0.698 . . . . 13.13 113.094 179.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -144.71 146.62 32.3 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.996 -0.372 . . . . 12.01 109.996 179.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -92.29 146.43 23.71 Favored 'General case' 0 C--N 1.317 -0.829 0 C-N-CA 120.865 -0.334 . . . . 14.85 110.378 179.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 45.1 ttp180 -55.6 -40.58 72.26 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.168 0.509 . . . . 12.02 110.36 179.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 54.6 mp0 -68.44 -12.99 61.98 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.636 -0.711 . . . . 13.0 112.335 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -97.01 -2.05 44.24 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.286 0.476 . . . . 12.82 112.286 -178.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.5 p -56.43 -39.96 64.46 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 N-CA-C 112.485 0.55 . . . . 10.88 112.485 -179.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.89 -44.04 97.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.332 -0.394 . . . . 12.18 111.123 -179.675 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.58 -43.69 75.49 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.913 -0.66 . . . . 12.77 111.53 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 97.3 mt -59.8 -50.32 80.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 120.422 0.153 . . . . 11.54 110.95 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 48.7 mt -57.66 -46.93 83.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.736 0.303 . . . . 10.42 111.195 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -61.52 -31.54 78.0 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 121.156 -0.545 . . . . 12.46 113.746 -179.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.51 6.11 48.6 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.514 0.561 . . . . 14.49 112.514 -179.402 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 50.4 m -110.11 -174.25 2.44 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.99 0.424 . . . . 10.83 111.825 -179.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -72.21 -40.35 67.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.666 -0.697 . . . . 10.68 111.061 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -89.01 92.77 9.36 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.898 -0.592 . . . . 8.55 111.216 -179.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -133.82 127.03 31.81 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.13 -0.486 . . . . 13.32 111.22 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 89.74 1.78 76.61 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.793 -0.718 . . . . 9.82 112.937 179.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -130.37 162.9 28.06 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.648 -0.501 . . . . 9.22 109.648 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -112.56 168.6 9.52 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.943 -0.392 . . . . 9.01 109.943 179.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 26.1 tp -62.95 -31.54 72.66 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.282 -0.417 . . . . 4.77 111.323 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.57 -59.93 3.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 5.96 112.099 -179.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -56.99 -43.24 81.52 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.614 0.598 . . . . 7.82 112.614 -179.228 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 83.5 mt -64.38 -50.93 74.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.718 0.294 . . . . 5.79 111.109 179.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.5 tp -60.96 -39.34 89.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 5.97 111.865 -179.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -71.26 -27.74 63.66 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.12 0.415 . . . . 9.81 112.12 -179.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 54.5 m -68.39 -26.39 65.54 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.1 0.476 . . . . 7.98 110.732 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -76.4 135.78 39.46 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.948 -0.569 . . . . 7.06 110.939 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 37.2 m -109.45 120.45 42.55 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.773 -0.649 . . . . 9.21 109.608 179.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -122.42 93.81 4.09 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.027 0.442 . . . . 9.55 110.825 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.5 t -85.72 129.71 53.67 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 115.806 -0.634 . . . . 12.15 109.956 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -78.68 105.79 2.01 Favored 'Trans proline' 0 N--CA 1.461 -0.428 0 C-N-CA 122.987 2.458 . . . . 12.82 111.922 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -89.52 43.72 1.16 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.503 0.668 . . . . 14.19 109.975 179.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 C--O 1.247 0.965 0 CA-C-N 115.284 -0.871 . . . . 15.67 110.038 -179.776 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 60.5 ttp . . . . . 0 N--CA 1.48 1.065 0 CA-C-O 120.816 0.341 . . . . 11.23 110.63 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 36.1 ttm -95.52 41.34 1.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.028 0.442 . . . . 13.11 110.992 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 6.9 m 63.52 86.68 0.12 Allowed 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 115.465 -0.789 . . . . 11.68 111.495 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.72 115.5 4.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.586 -0.734 . . . . 8.3 111.623 -179.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 3.2 m -82.27 170.33 15.51 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.899 -0.591 . . . . 9.28 110.537 179.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 49.7 mttp -54.34 -48.99 70.79 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.415 0.524 . . . . 8.73 112.415 -179.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 6.0 pm0 -64.28 -36.76 85.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.716 0.293 . . . . 9.58 111.724 -179.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -66.47 -41.76 88.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.002 0.43 . . . . 8.61 110.24 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 96.4 mt -70.12 -42.52 79.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.914 -0.584 . . . . 5.19 109.733 179.078 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.43 -32.19 72.14 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.883 -0.599 . . . . 4.42 110.717 179.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.09 -41.5 92.63 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.138 -0.483 . . . . 5.79 110.376 179.178 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 17.5 mt -72.15 -31.93 66.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.164 -0.471 . . . . 4.52 110.434 179.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 92.6 mt -65.98 -51.06 65.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.865 -0.607 . . . . 4.37 110.424 179.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 34.5 m -67.21 -32.79 59.18 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-N 116.409 -0.36 . . . . 6.25 110.554 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -65.36 -43.89 89.36 Favored 'General case' 0 CA--C 1.52 -0.181 0 N-CA-C 109.209 -0.663 . . . . 7.24 109.209 178.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -60.23 -47.63 85.14 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.471 -0.786 . . . . 7.41 110.586 179.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 18.6 m-30 -59.81 -42.99 94.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 8.36 110.603 179.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 28.9 m -64.07 -37.41 87.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.001 -0.545 . . . . 9.5 110.83 179.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 19.8 m -65.29 -20.03 66.23 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 121.198 0.523 . . . . 9.77 111.19 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 71.3 mt -86.51 -41.07 14.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.965 0.412 . . . . 11.09 110.402 179.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 31.9 m -77.03 -35.37 23.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 113.214 0.82 . . . . 12.38 113.214 -178.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -57.46 -40.49 78.63 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 112.609 0.596 . . . . 13.19 112.609 -179.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -101.24 6.08 42.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.602 0.239 . . . . 13.7 111.46 -179.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 21.3 ttmm 54.82 66.26 1.28 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.538 0.685 . . . . 16.11 111.734 -179.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -97.82 -0.75 44.6 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.577 -0.738 . . . . 12.56 109.732 179.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 20.7 tt -133.15 159.92 42.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.386 -0.824 . . . . 13.67 109.852 -179.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 29.8 p -67.76 160.62 27.81 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.781 0.324 . . . . 15.14 110.653 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 9.4 mp0 -58.49 -39.66 80.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.393 -0.367 . . . . 16.66 110.947 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.73 -42.78 99.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 15.52 110.192 179.455 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.77 -40.54 64.78 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.688 -0.768 . . . . 13.62 111.487 179.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.75 -43.82 98.1 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.784 0.326 . . . . 12.71 110.776 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.23 -42.3 98.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.086 -0.506 . . . . 13.38 110.274 179.321 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 9.1 m -66.25 -42.6 88.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.829 -0.623 . . . . 11.95 110.834 179.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 24.0 mt -65.27 -33.94 77.17 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.214 -0.448 . . . . 10.13 110.875 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -58.1 -50.91 71.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.931 -0.577 . . . . 11.27 110.353 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 40.8 t -67.07 -44.25 88.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.016 -0.538 . . . . 10.04 110.818 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.74 -44.15 93.93 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.101 -0.499 . . . . 8.58 111.346 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 30.4 ttm -60.64 -44.54 96.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 7.93 110.787 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.506 ' CG ' ' HZ3' ' C' ' 68' ' ' LYS . 1.0 OUTLIER -63.57 -42.86 98.31 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.65 -0.705 . . . . 9.48 110.279 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 3.8 t -62.05 -40.63 96.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.454 -0.794 . . . . 8.46 110.909 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.21 -35.71 70.55 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-O 121.13 0.491 . . . . 6.23 110.525 179.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 14.3 m -61.54 -50.13 73.89 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.64 -0.709 . . . . 7.39 111.38 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -74.55 -16.2 60.83 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.241 0.46 . . . . 8.81 112.241 -179.434 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.84 -45.23 59.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.332 -0.394 . . . . 7.38 111.215 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -88.28 -19.12 27.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 8.09 111.887 -179.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 93.46 43.83 3.88 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.884 -0.674 . . . . 9.43 113.631 178.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 40.0 p90 -136.37 150.13 48.67 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.661 0.267 . . . . 8.7 110.364 179.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.93 140.84 36.53 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.96 0.409 . . . . 11.16 110.771 -179.599 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 61.0 ttt180 -63.1 -45.59 91.35 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.39 -0.823 . . . . 11.12 111.204 -179.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -85.74 15.53 4.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.863 0.364 . . . . 11.8 111.86 -179.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -115.42 6.41 14.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.026 0.441 . . . . 10.53 110.48 179.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 11.3 p -59.51 -27.1 36.42 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 CA-C-N 115.711 -0.677 . . . . 9.19 111.545 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.05 -43.55 95.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 10.94 110.876 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -66.94 -25.08 73.21 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 121.049 -0.596 . . . . 11.05 112.013 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 57.2 mt -79.02 -53.84 12.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 110.007 -0.368 . . . . 9.74 110.007 179.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 74.7 mt -61.95 -36.76 82.38 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.255 -0.429 . . . . 9.17 111.663 -179.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -70.98 -27.12 72.71 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.808 -0.711 . . . . 11.56 112.244 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 3.0 ttmp? -85.16 -48.19 9.39 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.762 0.315 . . . . 12.67 110.463 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 49.0 m -68.58 169.21 11.44 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.028 -0.533 . . . . 9.82 111.253 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -68.27 -17.58 64.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.369 -0.378 . . . . 10.24 111.784 -179.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -79.3 48.45 0.89 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.015 0.436 . . . . 7.84 111.782 -179.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.65 124.03 38.44 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.919 0.39 . . . . 11.89 110.615 179.7 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 74.99 29.15 61.2 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.976 -0.63 . . . . 8.65 111.985 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 20.7 mm-40 -140.38 161.4 37.79 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.653 -0.499 . . . . 7.81 109.653 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 5.7 m80 -127.51 165.79 19.19 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.972 -0.381 . . . . 8.35 109.972 179.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 18.8 tp -62.5 -32.74 73.7 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.095 -0.502 . . . . 4.32 111.655 -179.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.17 -59.08 3.74 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.381 0.512 . . . . 5.79 112.381 -178.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -57.76 -47.1 83.44 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 112.678 0.621 . . . . 6.75 112.678 -179.317 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 82.0 mt -60.39 -46.85 94.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.649 -0.25 . . . . 4.76 111.333 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 1.4 tp -62.24 -40.33 95.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.707 0.289 . . . . 5.48 111.589 -179.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -67.74 -39.77 84.21 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.699 0.285 . . . . 8.15 111.441 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 91.8 p -68.24 -40.42 81.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.734 0.302 . . . . 6.84 111.764 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -86.23 77.44 9.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.199 0.523 . . . . 6.55 110.532 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 1.3 m -92.79 154.52 18.23 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.917 -0.583 . . . . 8.4 111.099 -179.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 15.5 mmm-85 -134.28 126.72 30.36 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.196 -0.456 . . . . 10.77 110.004 179.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 38.6 t -84.17 112.17 39.15 Favored Pre-proline 0 C--N 1.326 -0.416 0 N-CA-C 110.045 -0.354 . . . . 11.96 110.045 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -78.18 119.1 4.51 Favored 'Trans proline' 0 N--CA 1.46 -0.493 0 C-N-CA 122.553 2.169 . . . . 13.1 111.92 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -89.12 109.16 20.05 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.227 -0.442 . . . . 14.34 110.329 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 16.2 m . . . . . 0 C--O 1.251 1.141 0 CA-C-O 118.571 -0.728 . . . . 16.55 109.845 -179.863 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 17.6 t . . . . . 0 C--O 1.232 0.165 0 CA-C-O 121.173 0.511 . . . . 9.99 110.221 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 21' ' ' HIS . . . . . . . . . . . . . 17.6 t60 -87.9 102.81 15.07 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.015 -0.539 . . . . 9.56 110.395 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 22' ' ' LEU . . . . . . . . . . . . . 95.3 mt -111.44 144.99 39.76 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.425 -0.352 . . . . 6.88 111.049 -179.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 23' ' ' THR . . . . . . . . . . . . . 4.0 m -101.57 116.18 32.19 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.847 -0.615 . . . . 8.91 109.973 179.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 24' ' ' LEU . . . . . . . . . . . . . 50.4 mt -97.69 117.12 31.26 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 110.12 -0.326 . . . . 8.66 110.12 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 18.2 tptm -136.31 125.32 24.33 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.281 -0.418 . . . . 14.0 111.411 -179.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 8.5 ttpp -85.59 120.45 27.05 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.195 -0.668 . . . . 14.52 109.195 178.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 27' ' ' ILE . . . . . . . . . . . . . 42.2 pt -73.96 -10.63 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 113.11 0.781 . . . . 14.88 113.11 -178.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -125.72 149.94 48.1 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 121.287 -0.165 . . . . 15.23 110.741 -179.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.9 133.61 48.29 Favored Pre-proline 0 N--CA 1.466 0.369 0 N-CA-C 113.029 0.751 . . . . 18.5 113.029 -178.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 30' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -79.02 134.79 33.76 Favored 'Cis proline' 0 C--N 1.346 0.397 0 C-N-CA 123.451 -1.479 . . . . 17.48 111.35 -0.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -88.44 113.79 24.39 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.141 0.496 . . . . 17.92 111.3 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 50.9 p90 -127.77 149.91 50.04 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.913 -0.585 . . . . 13.5 110.632 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 33' ' ' SER . . . . . . . . . . . . . 73.6 m -124.69 113.24 17.73 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.636 -0.505 . . . . 12.59 109.636 179.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 45.9 pt -129.41 142.32 44.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.78 0.324 . . . . 10.72 110.822 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 35' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -121.12 139.02 53.9 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.319 -0.4 . . . . 10.54 110.62 179.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 36' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -152.85 141.62 21.04 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.254 -0.43 . . . . 10.1 110.247 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -88.85 111.39 22.0 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.004 -0.543 . . . . 9.77 110.404 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 38' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -100.99 172.95 6.71 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.589 -0.523 . . . . 9.82 109.589 179.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 59.7 p -97.64 153.9 38.12 Favored Pre-proline 0 C--N 1.321 -0.661 0 N-CA-C 109.389 -0.597 . . . . 11.97 109.389 179.401 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_endo -63.69 -22.07 69.9 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.026 1.817 . . . . 12.89 110.531 179.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.92 -6.55 59.2 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.095 -0.957 . . . . 14.73 111.133 179.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -75.3 156.48 35.55 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 116.301 -0.409 . . . . 11.77 110.415 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 40.3 p -114.76 169.63 8.93 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.247 -0.433 . . . . 11.41 109.908 179.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 45.7 mm -63.08 -30.08 48.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.337 -0.616 . . . . 8.13 109.337 178.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 36.3 tp -60.3 -45.27 93.98 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.692 -0.685 . . . . 12.88 110.085 178.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 46' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -61.49 -38.11 86.1 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.196 -0.456 . . . . 12.59 110.757 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 66.0 mt -62.03 -42.18 93.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 109.615 -0.513 . . . . 8.04 109.615 178.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -65.0 -44.45 89.2 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.648 -0.706 . . . . 10.51 109.882 179.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -59.4 -36.26 75.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.961 -0.563 . . . . 14.34 110.625 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -65.13 -31.54 72.78 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.853 -0.612 . . . . 11.16 111.274 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 94.5 mt -66.3 -28.52 68.75 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.192 0.52 . . . . 12.37 109.945 179.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 52' ' ' ILE . . . . . . . . . . . . . 72.5 mt -73.32 -41.52 57.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.499 -0.773 . . . . 15.35 109.59 178.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -63.74 -28.38 69.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.2 0.524 . . . . 15.02 110.689 179.499 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 54' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -85.7 -3.89 59.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.946 -0.57 . . . . 14.38 110.744 179.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 65.45 37.16 6.3 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.138 0.494 . . . . 18.85 111.294 -179.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 64.3 mmtt -106.67 -11.44 15.83 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.966 -0.561 . . . . 14.91 111.238 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.51 156.63 41.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 15.28 110.562 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 58' ' ' SER . . . . . . . . . . . . . 3.2 m -81.3 -81.13 0.14 Allowed 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.202 -0.454 . . . . 17.75 111.314 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 59' ' ' HIS . . . . . . . . . . . . . 43.8 m-70 -117.71 172.9 7.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.893 0.378 . . . . 19.98 111.347 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 45.6 mm -64.87 -34.33 69.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.798 -0.637 . . . . 14.55 111.497 -179.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.7 -31.64 68.43 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.715 0.635 . . . . 14.99 112.715 -178.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -89.84 -5.65 56.65 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.997 0.427 . . . . 16.71 112.148 -178.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 63' ' ' ILE . . . . . . . . . . . . . 51.6 mt -93.08 100.3 11.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 N-CA-C 112.734 0.642 . . . . 11.09 112.734 -178.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 64' ' ' LYS . . . . . . . . . . . . . 73.8 tttt -98.83 117.41 33.25 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.69 -0.855 . . . . 10.01 108.69 178.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 57.0 mt -112.02 144.14 41.86 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.769 0.319 . . . . 5.92 111.363 -179.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 5.2 mp -135.49 164.89 26.77 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.903 -0.589 . . . . 7.57 110.293 179.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 48.6 tp -136.89 89.94 2.49 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.47 -0.567 . . . . 7.44 109.47 178.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 68' ' ' LYS . . . . . 0.506 ' HZ3' ' CG ' ' B' ' 52' ' ' ASP . 4.8 mmmt 73.86 -50.32 0.69 Allowed 'General case' 0 N--CA 1.467 0.411 0 O-C-N 123.741 0.65 . . . . 13.3 112.277 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . -152.93 -41.49 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.991 -0.623 . . . . 8.93 112.406 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 70' ' ' LYS . . . . . . . . . . . . . 10.7 tptt -82.47 156.42 24.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.702 0.287 . . . . 9.68 110.927 -179.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 71' ' ' VAL . . . . . . . . . . . . . 9.0 m -86.29 148.85 4.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.142 -0.481 . . . . 7.05 110.975 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 83.3 mt -95.74 120.31 35.77 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.069 0.462 . . . . 5.9 110.685 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 73' ' ' HIS . . . . . . . . . . . . . 69.5 m-70 -88.42 138.02 31.8 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.927 -0.579 . . . . 9.1 110.075 -179.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -51.42 -41.05 60.51 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 113.183 0.809 . . . . 9.91 113.183 -178.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 75' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -76.26 5.54 6.83 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 113.443 0.905 . . . . 13.96 113.443 -178.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 76' ' ' LEU . . . . . . . . . . . . . 20.4 tp -86.52 134.65 33.65 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.925 0.393 . . . . 9.58 110.976 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -88.0 152.49 22.0 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.834 -0.621 . . . . 14.32 110.202 179.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 11.3 mt -64.85 -21.46 66.8 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.449 0.537 . . . . 9.58 112.449 -179.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 79' ' ' SER . . . . . . . . . . . . . 1.7 m -66.97 -19.7 65.76 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 112.037 0.384 . . . . 12.92 112.037 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 80' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -93.71 -18.43 22.12 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.007 0.373 . . . . 12.44 112.007 -179.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 26.3 mt -53.21 124.1 13.63 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.103 -0.498 . . . . 10.15 112.27 -178.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 82' ' ' LYS . . . . . . . . . . . . . 40.2 mmtm -82.02 62.13 5.64 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.799 -0.637 . . . . 12.59 110.049 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 8.8 m -104.6 126.68 59.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.464 0.65 . . . . 11.5 111.758 -179.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 84' ' ' THR . . . . . . . . . . . . . 30.5 p -116.21 175.31 1.99 Allowed Pre-proline 0 C--N 1.322 -0.628 0 N-CA-C 108.362 -0.977 . . . . 13.96 108.362 179.079 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 85' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -59.03 -18.02 41.01 Favored 'Trans proline' 0 CA--C 1.533 0.441 0 C-N-CA 122.161 1.908 . . . . 14.91 111.886 178.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -89.21 -27.51 20.59 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.156 -0.474 . . . . 15.11 111.549 179.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 87' ' ' ASN . . . . . . . . . . . . . 14.4 p-10 -131.3 96.4 4.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.541 0.686 . . . . 12.37 111.876 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 88' ' ' SER . . . . . . . . . . . . . 1.2 m -122.1 7.67 9.76 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.322 0.582 . . . . 10.56 109.986 179.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 89' ' ' THR . . . . . . . . . . . . . 2.8 m -93.74 130.05 39.86 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.422 -0.808 . . . . 9.87 111.312 -179.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 90' ' ' ILE . . . . . . . . . . . . . 49.4 mm -94.79 130.88 43.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 108.98 -0.748 . . . . 6.59 108.98 178.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 91' ' ' THR . . . . . . . . . . . . . 2.0 m -80.89 103.3 10.63 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.024 0.44 . . . . 8.75 111.097 -179.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 92' ' ' VAL . . . . . . . . . . . . . 42.2 t -93.37 117.42 36.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.167 -0.47 . . . . 9.58 109.925 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 93' ' ' MET . . . . . . . . . . . . . 6.3 ttt -126.5 58.97 1.37 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.389 -0.369 . . . . 10.9 110.828 -179.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 94' ' ' ILE . . . . . . . . . . . . . 92.8 mt -56.36 130.39 18.94 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 CA-C-N 116.112 -0.494 . . . . 13.44 111.012 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 95' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -115.49 139.78 25.09 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 115.9 -0.591 . . . . 14.95 110.698 -179.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 96' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -76.71 79.73 2.98 Favored 'Trans proline' 0 N--CA 1.46 -0.446 0 C-N-CA 122.218 1.945 . . . . 17.56 111.316 178.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 7.2 t30 81.86 -51.29 0.0 OUTLIER Pre-proline 0 C--O 1.25 1.103 0 CA-C-N 115.32 -0.854 . . . . 18.17 111.835 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 98' ' ' PRO . . . . . . . . . . . . . . . . . . . . 1 C--N 1.246 -4.822 0 O-C-N 122.964 0.981 . . . . 15.75 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.4 tmt? . . . . . 0 N--CA 1.483 1.204 0 CA-C-O 120.869 0.366 . . . . 10.47 110.267 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 9.7 mmt -81.37 -70.59 0.52 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.072 -0.513 . . . . 11.61 110.613 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.9 m -154.74 23.18 0.45 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.37 -0.377 . . . . 10.77 110.487 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 57.86 42.23 23.5 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.344 0.593 . . . . 8.18 109.689 -178.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.1 152.88 15.84 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.975 -1.012 . . . . 10.11 110.929 -179.254 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 40.3 mmtm -55.64 -47.01 77.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 11.15 111.332 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -75.79 -29.31 58.69 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.575 -0.284 . . . . 11.43 110.999 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 59.0 tt0 -58.48 -39.19 79.31 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 121.389 0.614 . . . . 8.91 109.656 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 52.2 mt -87.12 -43.48 15.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.503 -0.771 . . . . 6.78 110.895 179.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.91 -41.9 75.25 Favored 'General case' 0 C--O 1.234 0.239 0 N-CA-C 112.113 0.412 . . . . 7.12 112.113 -179.317 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.49 -40.57 87.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.883 0.373 . . . . 7.6 111.211 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 91.5 mt -70.48 -33.92 71.79 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.179 -0.464 . . . . 5.62 111.248 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 91.3 mt -65.74 -53.05 42.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.148 -0.478 . . . . 4.53 110.664 179.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 20.2 m -66.4 -32.6 58.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.481 -0.327 . . . . 6.96 111.16 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -64.08 -37.37 87.19 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.235 0.54 . . . . 7.61 109.56 178.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -64.73 -49.69 69.82 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.667 -0.697 . . . . 5.51 110.045 179.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.2 m-30 -60.76 -44.26 96.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.121 -0.49 . . . . 6.35 111.332 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.8 m -60.1 -39.72 87.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 8.01 111.298 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.6 m -68.35 -34.72 76.59 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.396 -0.366 . . . . 8.27 111.412 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 98.3 mt -61.03 -45.28 98.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.536 -0.302 . . . . 8.37 111.549 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.9 m -74.97 -28.24 20.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 C-N-CA 120.989 -0.284 . . . . 9.63 111.746 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -61.26 -43.58 98.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.958 0.409 . . . . 10.98 111.311 179.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.7 pttt -94.46 5.44 51.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.022 -0.535 . . . . 11.09 110.782 179.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.0 mttm 51.57 54.54 10.84 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.522 -0.763 . . . . 12.07 112.757 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -87.51 -29.06 21.63 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.16 -0.473 . . . . 9.58 110.968 179.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 12.9 tt -86.73 164.16 2.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.154 -0.476 . . . . 9.5 110.516 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.1 p -72.71 165.87 23.95 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.968 0.413 . . . . 10.1 111.477 -179.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -62.62 -35.97 81.29 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.782 -0.645 . . . . 11.9 110.531 179.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.62 -30.79 61.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.991 -0.55 . . . . 10.3 110.857 -179.711 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -75.41 -14.6 81.82 Favored Glycine 0 C--N 1.33 0.235 0 CA-C-N 115.955 -0.566 . . . . 8.75 112.981 -179.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.87 -41.58 99.44 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.895 0.379 . . . . 8.42 110.257 179.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -62.49 -40.53 96.99 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.759 -0.655 . . . . 9.73 110.049 179.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -63.06 -43.94 97.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.534 -0.757 . . . . 8.02 111.471 -179.443 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 23.0 mt -66.94 -35.46 80.02 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.993 -0.283 . . . . 6.89 111.002 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -59.8 -52.8 63.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.102 -0.499 . . . . 9.79 110.874 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.8 p -69.39 -40.01 79.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 112.425 0.528 . . . . 9.6 112.425 -179.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.76 -48.61 80.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.795 0.331 . . . . 7.62 110.336 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 36.3 ttm -63.25 -40.69 98.14 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.858 -0.61 . . . . 8.19 110.388 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -61.68 -50.56 72.01 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.568 -0.742 . . . . 11.12 110.941 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 91.7 m -64.91 -38.57 91.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.325 -0.398 . . . . 9.77 111.822 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 65.3 mt -61.85 -36.65 75.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-O 121.043 0.449 . . . . 9.06 110.365 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 32.9 m -59.92 -53.7 54.83 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.678 -0.692 . . . . 10.96 111.797 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -71.01 -26.39 63.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.854 0.359 . . . . 12.89 111.903 -179.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.08 -48.52 67.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.134 -0.485 . . . . 11.68 111.239 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -83.47 -13.82 53.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.47 -0.332 . . . . 11.93 111.685 -179.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.03 45.95 6.87 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.683 -0.77 . . . . 13.13 113.006 179.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 20.1 p90 -144.66 141.63 29.5 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.115 -0.328 . . . . 12.01 110.115 179.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -73.21 146.22 45.68 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.679 -0.489 . . . . 14.85 109.679 179.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 17.3 ttp180 -57.58 -43.49 84.64 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.082 0.468 . . . . 12.02 110.779 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 51.7 mp0 -76.08 -3.41 35.8 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.773 -0.649 . . . . 13.0 111.731 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.95 -1.0 57.89 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.866 0.365 . . . . 12.82 111.198 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 14.4 p -60.89 -33.38 55.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 10.88 110.983 179.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.5 m -64.15 -39.0 93.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.037 -0.528 . . . . 12.18 111.067 179.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.33 -40.96 69.21 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.949 -0.643 . . . . 12.77 111.675 179.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 64.4 mt -62.96 -45.1 99.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.952 0.406 . . . . 11.54 110.377 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 68.2 mt -69.98 -23.57 63.19 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.141 -0.481 . . . . 10.42 110.982 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -72.71 -34.43 59.64 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.952 -0.642 . . . . 12.46 112.875 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.2 ptpt -91.46 -27.57 18.18 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.211 0.448 . . . . 14.49 112.211 -179.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.8 m -87.64 147.58 25.21 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.614 -0.266 . . . . 10.83 110.696 -179.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -77.15 54.75 1.1 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.494 0.664 . . . . 10.68 111.525 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -139.77 11.7 2.47 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.428 -0.805 . . . . 8.55 109.246 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.2 ptmt -64.02 132.88 51.92 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.99 -1.005 . . . . 13.32 111.365 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 79.3 18.93 73.02 Favored Glycine 0 N--CA 1.449 -0.438 0 CA-C-N 115.747 -0.66 . . . . 9.82 112.732 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -133.11 149.36 52.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.827 0.346 . . . . 9.22 111.243 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 17.0 m80 -115.69 163.25 16.08 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.96 -0.756 . . . . 9.01 108.96 179.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 21.7 tp -56.14 -40.24 73.5 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.834 0.679 . . . . 4.77 112.834 -179.021 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.87 -44.78 84.34 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.363 0.505 . . . . 5.96 112.363 -179.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -58.66 -53.52 57.38 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.098 0.475 . . . . 7.82 110.912 -179.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 41.0 mt -61.69 -47.12 94.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.489 -0.778 . . . . 5.79 112.09 -178.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 14.5 tp -60.2 -43.68 95.75 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.528 0.566 . . . . 5.97 112.528 -178.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -71.49 -28.0 63.62 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.925 -0.31 . . . . 9.81 111.301 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.5 m -75.82 -43.92 43.63 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.414 -0.357 . . . . 7.98 110.909 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -103.61 92.18 4.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.103 0.478 . . . . 7.06 110.885 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.4 m -119.74 175.34 5.92 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.036 -0.529 . . . . 9.21 110.573 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -133.51 159.99 38.76 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.7 -0.227 . . . . 9.55 110.628 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 45.9 t -106.75 118.75 53.53 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 116.157 -0.474 . . . . 12.15 109.911 179.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -74.47 91.25 0.98 Allowed 'Trans proline' 0 N--CA 1.465 -0.196 0 C-N-CA 123.168 2.579 . . . . 12.82 112.324 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -86.25 115.74 23.99 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.334 -0.393 . . . . 14.19 111.08 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 36.7 m . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.143 -0.932 . . . . 15.67 110.475 179.201 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 46.4 ttp . . . . . 0 N--CA 1.482 1.147 0 CA-C-O 120.547 0.213 . . . . 11.23 111.343 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 16.5 mmt -99.42 43.5 1.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.808 -0.178 . . . . 13.11 111.224 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 1.4 m 63.01 90.73 0.08 Allowed 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.278 -0.419 . . . . 11.68 111.072 -179.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.89 109.64 0.99 Allowed 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.076 -0.511 . . . . 8.3 111.353 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 3.4 m -77.98 161.56 27.42 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.896 -0.593 . . . . 9.28 111.308 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp -53.24 -50.81 63.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.007 -0.542 . . . . 8.73 112.065 -179.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 8.1 pm0 -63.79 -34.79 78.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 9.58 111.846 -179.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -68.9 -40.29 79.24 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.101 -0.499 . . . . 8.61 110.331 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 82.1 mt -69.27 -42.19 81.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 109.317 -0.623 . . . . 5.19 109.317 178.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.03 -33.09 73.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.709 -0.678 . . . . 4.42 111.015 179.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.52 -39.58 88.32 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.277 -0.419 . . . . 5.79 110.474 179.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 70.5 mt -73.32 -31.81 64.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.186 -0.461 . . . . 4.52 110.364 179.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 94.8 mt -63.98 -51.79 64.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.818 -0.628 . . . . 4.37 110.007 179.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 18.8 m -67.48 -33.52 62.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.398 -0.364 . . . . 6.25 110.684 179.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -62.26 -39.42 92.84 Favored 'General case' 0 CA--C 1.52 -0.184 0 N-CA-C 109.457 -0.572 . . . . 7.24 109.457 178.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -62.3 -48.9 77.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.848 -0.614 . . . . 7.41 110.238 179.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -64.08 -40.65 96.7 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.284 -0.416 . . . . 8.36 110.827 179.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 50.6 m -62.69 -37.81 87.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 9.5 110.293 179.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 43.8 m -68.89 -20.64 64.25 Favored 'General case' 0 C--O 1.225 -0.204 0 CA-C-N 115.934 -0.576 . . . . 9.77 110.586 179.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 95.1 mt -84.3 -44.5 17.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.302 -0.408 . . . . 11.09 110.594 179.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 29.1 m -71.56 -33.18 48.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 113.262 0.838 . . . . 12.38 113.262 -178.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -61.2 -42.94 99.47 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 112.38 0.511 . . . . 13.19 112.38 -179.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.74 10.72 39.76 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.031 0.444 . . . . 13.7 110.925 179.332 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 17.6 ttmm 47.92 69.43 0.53 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.037 -0.983 . . . . 16.11 113.332 179.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -88.65 -11.3 45.74 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.486 0.66 . . . . 12.56 109.525 178.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 17.1 tt -120.92 163.3 18.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.348 -0.842 . . . . 13.67 110.014 -179.155 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.23 161.69 29.68 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.716 0.293 . . . . 15.14 110.996 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.8 -28.36 63.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.437 . . . . 16.66 112.177 -179.569 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.43 -62.15 1.87 Allowed 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 110.286 -0.264 . . . . 15.52 110.286 178.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.32 -30.76 74.96 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 121.198 -0.525 . . . . 13.62 112.127 179.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.08 -38.76 92.45 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.773 0.32 . . . . 12.71 110.464 179.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.48 -42.32 92.32 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.199 -0.667 . . . . 13.38 109.199 179.344 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -63.9 -47.77 79.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.595 -0.73 . . . . 11.95 110.793 179.327 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 86.6 mt -64.98 -31.73 73.11 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.295 -0.412 . . . . 10.13 111.352 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -54.95 -49.23 71.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.946 -0.57 . . . . 11.27 110.82 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 7.8 p -83.38 -35.71 12.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.268 -0.424 . . . . 10.04 111.209 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.11 -40.4 89.54 Favored 'General case' 0 N--CA 1.462 0.164 0 N-CA-C 112.061 0.393 . . . . 8.58 112.061 -179.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 46.6 mtm -61.79 -38.51 88.38 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-O 120.763 0.316 . . . . 7.93 111.295 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -66.99 -31.34 71.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.082 -0.508 . . . . 9.48 110.82 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 30.2 m -65.42 -34.34 78.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.953 -0.567 . . . . 8.46 110.584 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 71.4 mt -68.65 -44.56 82.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.936 -0.575 . . . . 6.23 111.307 -179.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.81 -50.82 72.0 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 112.55 0.574 . . . . 7.39 112.55 -179.126 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -68.31 -33.18 73.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.254 -0.43 . . . . 8.81 112.066 -178.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.68 -52.8 18.69 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.131 0.419 . . . . 7.38 112.131 -179.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -71.81 -38.33 70.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.574 -0.284 . . . . 8.09 111.664 -179.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 106.86 59.86 0.58 Allowed Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.297 -0.954 . . . . 9.43 112.839 179.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -156.81 152.29 26.71 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.863 -0.421 . . . . 8.7 109.863 179.051 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.78 132.68 39.38 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.969 0.414 . . . . 11.16 111.089 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 19.0 ttp-105 -70.64 -33.92 71.51 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.341 -0.845 . . . . 11.12 110.574 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -90.42 2.01 56.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.108 0.48 . . . . 11.8 111.546 -179.473 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -122.82 28.55 7.22 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.216 -0.447 . . . . 10.53 110.342 179.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 13.9 p -66.59 -29.49 46.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.774 -0.648 . . . . 9.19 110.929 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -35.72 80.26 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 116.081 -0.509 . . . . 10.94 110.523 179.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -69.72 -30.49 70.61 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.937 -0.649 . . . . 11.05 111.713 179.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 33.9 mt -71.2 -46.78 64.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 109.794 -0.447 . . . . 9.74 109.794 179.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 75.2 mt -63.85 -36.81 85.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.92 -0.582 . . . . 9.17 110.178 179.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -74.57 -18.3 79.96 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.905 -0.664 . . . . 11.56 112.029 179.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -89.85 -47.24 8.01 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.755 0.312 . . . . 12.67 110.487 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 66.8 m -73.62 177.51 5.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.057 -0.52 . . . . 9.82 112.347 -179.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -74.33 -26.17 59.99 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.631 -0.713 . . . . 10.24 111.249 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -87.46 97.58 10.91 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.046 -0.524 . . . . 7.84 111.303 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.68 139.82 46.66 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.929 -0.578 . . . . 11.89 109.954 179.133 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 79.62 -47.85 3.34 Favored Glycine 0 CA--C 1.517 0.205 0 C-N-CA 121.097 -0.573 . . . . 8.65 111.95 -179.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -70.77 128.35 35.77 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 110.027 -0.36 . . . . 7.81 110.027 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 38.7 m80 -87.01 162.78 17.43 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.286 -0.635 . . . . 8.35 109.286 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 39.8 tp -57.04 -39.84 75.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.856 0.36 . . . . 4.32 111.231 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.65 -41.07 92.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.061 -0.518 . . . . 5.79 111.542 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -59.85 -51.09 71.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 6.75 110.614 -179.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 55.7 mt -62.98 -48.56 87.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.733 -0.667 . . . . 4.76 111.082 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 5.3 mp -61.49 -30.03 70.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.085 -0.507 . . . . 5.48 111.854 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -77.65 -40.44 41.75 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.93 -0.308 . . . . 8.15 110.523 179.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 18.1 m -66.53 -38.45 87.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.943 -0.572 . . . . 6.84 110.492 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.42 111.9 2.51 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.629 -0.714 . . . . 6.55 110.879 179.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 6.5 m -100.53 100.41 11.14 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.916 -0.584 . . . . 8.4 110.886 -179.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 15.0 mmm180 -100.79 123.07 44.46 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.944 -0.571 . . . . 10.77 110.105 179.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 19.1 t -120.85 94.23 48.87 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-N 116.182 -0.463 . . . . 11.96 109.969 179.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_exo -70.8 113.19 3.46 Favored 'Trans proline' 0 N--CA 1.462 -0.345 0 C-N-CA 122.977 2.451 . . . . 13.1 111.124 179.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -64.06 107.46 1.27 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.069 -0.514 . . . . 14.34 110.122 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 8.5 m . . . . . 0 C--O 1.246 0.899 0 CA-C-O 118.572 -0.727 . . . . 16.55 110.452 -179.362 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 37.5 t . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.481 -0.563 . . . . 9.99 109.481 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 21' ' ' HIS . . . . . . . . . . . . . 66.7 t60 -75.13 113.66 12.73 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.042 -0.527 . . . . 9.56 110.97 -179.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 22' ' ' LEU . . . . . . . . . . . . . 94.7 mt -120.25 137.46 54.21 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.163 -0.472 . . . . 6.88 111.209 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 23' ' ' THR . . . . . . . . . . . . . 23.2 m -106.47 112.82 25.99 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.343 -0.614 . . . . 8.91 109.343 179.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 24' ' ' LEU . . . . . . . . . . . . . 33.5 mt -92.64 123.41 35.91 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.704 -0.225 . . . . 8.66 110.83 -179.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 16.2 tptm -139.04 124.68 19.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.419 . . . . 14.0 111.018 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 7.7 ttpp -91.11 118.92 30.82 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.468 -0.567 . . . . 14.52 109.468 178.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 27' ' ' ILE . . . . . . . . . . . . . 17.8 pt -69.62 -41.05 80.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.095 -0.502 . . . . 14.88 112.297 -178.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.15 154.39 20.77 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.537 -0.301 . . . . 15.23 111.031 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.66 141.56 92.99 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.378 -0.373 . . . . 18.5 111.126 -179.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 30' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -77.91 141.96 68.51 Favored 'Cis proline' 0 C--N 1.344 0.33 0 C-N-CA 123.218 -1.576 . . . . 17.48 111.549 -0.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -87.88 135.27 33.47 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.91 0.386 . . . . 17.92 111.554 -179.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 42.6 p90 -145.42 147.24 32.02 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.848 -0.615 . . . . 13.5 110.006 178.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 33' ' ' SER . . . . . . . . . . . . . 2.9 m -132.03 118.26 19.47 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.234 -0.439 . . . . 12.59 110.015 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 8.5 pt -137.01 146.55 28.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.371 -0.377 . . . . 10.72 109.998 179.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 35' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -123.56 143.73 50.02 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.762 0.315 . . . . 10.54 111.14 -179.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 36' ' ' HIS . . . . . . . . . . . . . 14.4 t60 -157.53 141.09 15.66 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.198 -0.455 . . . . 10.1 110.086 179.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -94.48 113.6 25.47 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.278 -0.638 . . . . 9.77 109.278 179.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 38' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -99.61 -178.81 4.0 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.739 0.304 . . . . 9.82 111.053 -179.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.22 148.59 34.84 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 116.731 -0.213 . . . . 11.97 110.7 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -65.43 -17.67 58.2 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.736 2.291 . . . . 12.89 111.789 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.99 2.16 54.41 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.69 -0.686 . . . . 14.73 111.014 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 58.5 m-20 -95.01 157.37 15.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.423 -0.353 . . . . 11.77 110.568 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 27.8 p -111.23 179.26 4.09 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.233 -0.44 . . . . 11.41 110.335 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 45.1 mm -64.52 -27.76 43.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.032 0.444 . . . . 8.13 110.447 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 53.2 tp -59.12 -39.09 81.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.78 -0.645 . . . . 12.88 110.967 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 46' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -62.93 -39.08 93.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.199 -0.455 . . . . 12.59 110.585 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 44.4 mt -65.53 -42.95 94.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.927 -0.579 . . . . 8.04 110.215 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 48' ' ' LYS . . . . . 0.46 ' HZ1' ' CG ' ' C' ' 74' ' ' ASP . 93.8 mttt -61.82 -46.4 89.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.861 -0.609 . . . . 10.51 110.684 179.605 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -62.92 -36.63 84.03 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.018 -0.537 . . . . 14.34 110.397 179.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 68.6 t60 -63.62 -37.15 86.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.981 -0.554 . . . . 11.16 110.611 179.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 61.3 mt -62.24 -32.08 72.72 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.437 -0.347 . . . . 12.37 111.283 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 52' ' ' ILE . . . . . . . . . . . . . 69.3 mt -66.89 -45.72 86.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.2 -0.454 . . . . 15.35 110.1 179.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.21 -30.21 71.28 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.196 -0.456 . . . . 15.02 111.097 179.47 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 54' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -78.43 0.43 25.86 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.289 -0.414 . . . . 14.38 110.597 179.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 62.69 42.07 8.59 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.849 -0.614 . . . . 18.85 111.281 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 35.0 mmtm -128.6 10.53 6.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.269 -0.423 . . . . 14.91 111.527 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -157.91 164.41 36.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.303 -0.408 . . . . 15.28 110.81 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 58' ' ' SER . . . . . . . . . . . . . 25.2 t -118.87 -75.7 0.58 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.474 -0.33 . . . . 17.75 111.099 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 59' ' ' HIS . . . . . . . . . . . . . 86.0 m-70 -100.86 153.28 19.62 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.676 0.274 . . . . 19.98 110.595 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 45.9 mm -65.86 -39.03 83.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.02 -0.536 . . . . 14.55 111.443 -179.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 3.4 p -68.12 -18.83 64.75 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.175 -0.466 . . . . 14.99 112.236 -179.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -83.46 -15.97 47.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.927 0.394 . . . . 16.71 110.771 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 63' ' ' ILE . . . . . . . . . . . . . 25.5 mt -89.69 104.53 15.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.035 -0.529 . . . . 11.09 111.68 -178.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 64' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -102.1 95.58 6.43 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.552 -0.749 . . . . 10.01 109.538 179.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 86.4 mt -93.24 146.44 23.69 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.121 -0.49 . . . . 5.92 110.594 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -154.76 160.92 41.63 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.434 -0.348 . . . . 7.57 110.701 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 43.3 tp -146.58 115.3 6.83 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.834 -0.621 . . . . 7.44 109.916 179.142 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 24.5 mmmt 62.42 29.97 17.25 Favored 'General case' 0 C--N 1.332 -0.16 0 O-C-N 123.621 0.576 . . . . 13.3 111.397 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 95.26 -31.57 6.94 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.954 -0.641 . . . . 8.93 111.877 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 70' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -70.63 114.18 8.47 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.97 -0.382 . . . . 9.68 109.97 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 71' ' ' VAL . . . . . . . . . . . . . 60.7 t -63.97 126.29 22.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.594 -0.521 . . . . 7.05 109.594 179.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 52.4 mt -80.78 91.39 5.92 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.306 0.574 . . . . 5.9 110.59 -179.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 73' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -69.43 144.72 53.24 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.27 -0.877 . . . . 9.1 109.584 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 74' ' ' ASP . . . . . 0.46 ' CG ' ' HZ1' ' C' ' 48' ' ' LYS . 36.0 m-20 -49.3 -45.43 45.22 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 113.077 0.769 . . . . 9.91 113.077 -178.476 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 75' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -80.56 55.6 2.37 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.241 -0.436 . . . . 13.96 112.094 -179.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 76' ' ' LEU . . . . . . . . . . . . . 32.7 tp -139.78 128.38 23.03 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.567 -0.531 . . . . 9.58 109.567 179.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -81.34 149.64 28.82 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.227 -0.442 . . . . 14.32 111.043 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 21.3 mt -64.05 -17.16 63.1 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.974 -0.557 . . . . 9.58 112.011 -179.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 79' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.53 -19.48 63.71 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.339 -0.391 . . . . 12.92 110.875 179.651 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 80' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -96.61 5.14 51.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.106 0.479 . . . . 12.44 111.058 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 30.1 mt -77.82 122.3 25.25 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.837 0.351 . . . . 10.15 110.396 179.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 82' ' ' LYS . . . . . . . . . . . . . 41.2 mmtt -82.26 47.1 1.1 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.157 0.503 . . . . 12.59 110.662 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -85.52 115.46 27.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.918 -0.583 . . . . 11.5 111.745 -179.35 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 84' ' ' THR . . . . . . . . . . . . . 2.3 p -111.85 162.98 18.78 Favored Pre-proline 0 C--N 1.319 -0.754 0 N-CA-C 108.358 -0.978 . . . . 13.96 108.358 179.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 85' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -54.84 -31.25 71.95 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.81 2.34 . . . . 14.91 112.545 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -72.76 -21.07 61.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.399 -0.364 . . . . 15.11 111.865 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 87' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -155.65 74.51 0.88 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.153 0.501 . . . . 12.37 111.912 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 88' ' ' SER . . . . . . . . . . . . . 1.1 m -96.65 11.57 34.9 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.264 0.554 . . . . 10.56 110.222 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 89' ' ' THR . . . . . . . . . . . . . 11.2 m -88.87 124.87 34.61 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.773 -0.648 . . . . 9.87 112.109 -179.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 90' ' ' ILE . . . . . . . . . . . . . 49.1 mm -92.56 125.92 45.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 108.469 -0.938 . . . . 6.59 108.469 178.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 91' ' ' THR . . . . . . . . . . . . . 2.0 m -74.39 111.64 9.77 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.123 -0.489 . . . . 8.75 110.958 -179.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 92' ' ' VAL . . . . . . . . . . . . . 42.4 t -98.22 129.07 49.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.948 -0.569 . . . . 9.58 110.157 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 93' ' ' MET . . . . . . . . . . . . . 7.9 mtm -135.82 143.04 44.94 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.514 -0.312 . . . . 10.9 110.223 179.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 94' ' ' ILE . . . . . . . . . . . . . 63.6 mt -116.9 116.96 53.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 109.794 -0.447 . . . . 13.44 109.794 179.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 95' ' ' LYS . . . . . . . . . . . . . 20.3 mmtp -127.6 118.2 21.32 Favored Pre-proline 0 C--N 1.321 -0.64 0 CA-C-N 115.877 -0.601 . . . . 14.95 110.234 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 96' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -61.86 129.73 28.58 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.898 2.399 . . . . 17.56 112.229 -179.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 17.2 t30 68.71 -81.49 0.0 OUTLIER Pre-proline 0 C--O 1.249 1.036 0 CA-C-O 118.038 -0.982 . . . . 18.17 112.487 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 98' ' ' PRO . . . . . . . . . . . . . . . . . . . . 1 C--N 1.248 -4.721 0 O-C-N 122.904 0.949 . . . . 15.75 . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.0 m . . . . . 0 N--CA 1.454 -0.247 0 N-CA-C 112.015 0.376 . . . . 10.77 112.015 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 60.48 46.86 9.23 Favored 'General case' 0 CA--C 1.521 -0.136 0 CA-C-O 121.327 0.584 . . . . 8.07 110.646 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.9 m -70.03 171.62 9.23 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.413 -0.812 . . . . 10.11 110.17 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.1 mtmm -54.56 -41.82 70.24 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.249 -0.432 . . . . 10.66 112.064 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.0 pm0 -69.34 -35.38 75.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.506 0.193 . . . . 11.43 111.314 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -64.73 -47.45 78.21 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 121.048 0.452 . . . . 8.91 110.273 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 65.6 mt -69.82 -43.58 79.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.672 -0.694 . . . . 6.35 111.163 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.69 -43.19 72.29 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 112.136 0.421 . . . . 7.12 112.136 -179.347 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.25 -42.97 92.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 7.6 110.935 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 74.7 mt -69.41 -34.9 75.16 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.162 -0.472 . . . . 5.59 111.34 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 91.8 mt -65.57 -52.12 54.73 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-N 116.267 -0.424 . . . . 4.33 110.516 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.4 m -65.99 -31.66 54.68 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 CA-C-N 116.393 -0.367 . . . . 6.96 110.924 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -66.92 -40.9 87.75 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.849 -0.426 . . . . 7.34 109.849 178.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.476 ' HB2' ' HB3' ' A' ' 79' ' ' LEU . 29.4 t80 -60.25 -46.84 88.41 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.904 -0.589 . . . . 5.51 109.874 178.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.2 m-30 -61.23 -39.82 91.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.073 -0.512 . . . . 6.35 110.427 179.19 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.403 ' O ' ' HB2' ' A' ' 35' ' ' GLU . 25.1 m -64.06 -36.46 84.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.838 -0.619 . . . . 8.01 110.329 179.135 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 17.3 m -67.96 -41.02 83.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.043 -0.526 . . . . 8.27 110.486 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.483 HG23 ' HB2' ' A' ' 38' ' ' GLU . 78.8 mt -60.4 -48.94 86.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 116.171 -0.468 . . . . 8.37 111.34 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.2 m -73.07 -26.02 22.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 112.42 0.526 . . . . 9.63 112.42 -179.334 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.403 ' HB2' ' O ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -63.81 -53.91 43.42 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.85 0.357 . . . . 10.98 111.171 -179.78 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.469 ' HG3' ' HG3' ' A' ' 38' ' ' GLU . 22.2 pttt -88.4 8.26 28.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.937 0.399 . . . . 11.09 111.031 179.661 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.484 ' HE2' ' O ' ' A' ' 39' ' ' ILE . 14.6 tptm 52.47 68.68 0.79 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.352 -0.84 . . . . 11.72 112.216 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.483 ' HB2' HG23 ' A' ' 33' ' ' ILE . 2.4 mt-10 -100.87 4.9 43.14 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.974 -0.557 . . . . 9.58 110.611 179.239 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.484 ' O ' ' HE2' ' A' ' 37' ' ' LYS . 20.1 tt -140.26 149.47 21.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.837 -0.62 . . . . 9.5 109.917 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.6 p -74.23 158.53 33.93 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.387 -0.37 . . . . 9.96 110.725 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -55.48 -24.98 34.31 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.999 -0.546 . . . . 11.9 112.23 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -59.62 -54.71 43.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.187 -0.46 . . . . 10.3 110.466 179.498 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.99 -16.96 62.12 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.864 -0.684 . . . . 8.47 112.273 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.08 -46.3 88.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.612 0.244 . . . . 8.42 111.557 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -69.19 -29.31 67.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.745 0.307 . . . . 9.73 110.984 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 13.9 m -64.06 -47.63 79.41 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.052 0.453 . . . . 7.86 109.88 178.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 92.1 mt -71.06 -30.01 66.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 6.77 110.0 179.034 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 18.8 t30 -58.5 -46.67 86.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.333 -0.849 . . . . 9.39 110.631 179.32 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.567 HG11 HD21 ' C' ' 66' ' ' LEU . 7.7 p -79.79 -37.28 17.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.484 -0.326 . . . . 9.6 111.081 179.631 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.16 -39.15 81.6 Favored 'General case' 0 C--N 1.334 -0.078 0 CA-C-O 120.806 0.336 . . . . 7.62 110.989 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 35.2 ttm -58.32 -40.66 82.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.991 -0.549 . . . . 8.19 110.618 179.57 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.477 ' OD2' ' HG3' ' C' ' 95' ' ' LYS . 21.6 t70 -69.9 -40.81 75.39 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.753 -0.658 . . . . 11.12 110.876 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 69.8 m -60.15 -41.39 92.64 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 121.06 0.457 . . . . 9.77 109.91 178.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 97.6 mt -64.27 -41.96 93.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.829 -0.623 . . . . 9.06 109.763 179.119 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.487 ' HA ' ' CZ ' ' A' ' 60' ' ' PHE . 19.6 m -60.34 -44.31 95.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.789 -0.642 . . . . 10.96 111.429 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.406 ' HB2' ' NZ ' ' C' ' 95' ' ' LYS . 82.0 tt0 -70.14 -37.8 75.36 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.35 -0.386 . . . . 12.89 111.741 -179.617 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.75 -42.57 97.66 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.677 0.621 . . . . 11.68 112.677 -179.201 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -88.59 -17.81 29.36 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 112.41 0.522 . . . . 11.93 112.41 -179.299 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.32 58.33 1.67 Allowed Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.795 -0.717 . . . . 13.13 114.02 178.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.487 ' CZ ' ' HA ' ' A' ' 55' ' ' SER . 51.6 p90 -151.94 155.47 38.12 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.285 -0.265 . . . . 12.01 110.285 178.248 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -80.66 143.04 33.37 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.919 0.39 . . . . 14.85 111.539 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 28.0 ttp180 -57.52 -42.29 82.54 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.648 -0.705 . . . . 11.66 111.566 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 22.8 mp0 -88.46 10.47 20.04 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.252 -0.431 . . . . 13.0 112.046 -179.231 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -100.24 6.1 44.69 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.917 0.389 . . . . 12.82 111.154 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.4 p -61.26 -32.22 52.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.829 -0.623 . . . . 10.88 111.078 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.55 -34.81 77.69 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.883 -0.599 . . . . 12.04 110.999 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -78.89 -38.03 24.34 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.756 -0.735 . . . . 12.77 111.679 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 53.7 mt -62.54 -43.04 98.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.723 0.296 . . . . 11.54 110.728 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 96.9 mt -68.06 -23.1 64.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 10.42 110.601 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -81.41 -50.61 4.98 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.979 -0.629 . . . . 12.46 112.212 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -66.58 -27.22 67.55 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 111.975 0.361 . . . . 14.12 111.975 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.8 m -95.08 162.01 13.89 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.214 -0.662 . . . . 10.83 109.214 178.766 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 54.7 mm-40 -89.2 56.63 3.73 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.033 0.445 . . . . 10.68 111.232 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -133.65 18.32 3.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.407 0.622 . . . . 8.37 110.052 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.659 ' HD2' ' H ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -68.81 129.82 41.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.615 -0.72 . . . . 12.83 110.634 179.834 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 80.76 15.81 76.8 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.613 -0.803 . . . . 9.82 111.894 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -132.28 131.57 42.16 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.825 0.345 . . . . 8.93 110.749 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 12.7 m80 -109.17 158.48 17.77 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.756 -0.831 . . . . 8.72 108.756 179.184 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.476 ' HB3' ' HB2' ' A' ' 29' ' ' TYR . 24.8 tp -54.48 -33.77 60.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.859 0.361 . . . . 4.7 111.032 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.83 -57.37 8.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.942 -0.572 . . . . 5.96 111.249 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -59.96 -35.65 75.44 Favored 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 111.873 0.323 . . . . 7.82 111.873 -179.526 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 85.5 mt -64.62 -50.77 74.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.685 -0.234 . . . . 5.79 110.682 179.397 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.9 mp -66.1 -31.51 72.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.304 0.573 . . . . 5.97 110.4 179.358 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -65.13 -23.71 67.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.456 -0.793 . . . . 9.2 110.995 179.173 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 12.8 m -93.75 0.74 56.5 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.309 -0.405 . . . . 7.98 111.245 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -93.55 98.82 11.42 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-O 121.213 0.53 . . . . 7.06 111.377 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.7 m -89.02 65.29 7.44 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.074 -0.512 . . . . 9.21 111.322 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -72.03 120.41 17.59 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.141 -0.481 . . . . 9.55 110.009 179.289 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.427 ' HA ' ' HD3' ' A' ' 90' ' ' PRO . 45.5 t -104.72 116.48 60.88 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 116.447 -0.342 . . . . 12.15 110.238 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 89' ' ' VAL . 7.1 Cg_exo -74.48 102.79 1.6 Allowed 'Trans proline' 0 N--CA 1.462 -0.334 0 C-N-CA 122.883 2.389 . . . . 12.82 111.516 179.613 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -93.66 54.78 2.07 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.107 0.48 . . . . 14.19 110.105 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.251 1.134 0 CA-C-O 118.46 -0.781 . . . . 15.67 111.196 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 44.8 ttp . . . . . 0 N--CA 1.479 0.991 0 N-CA-C 110.302 -0.259 . . . . 11.23 110.302 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 13.3 mmt -82.85 59.26 4.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.943 0.402 . . . . 13.11 110.402 178.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 11.6 m 65.94 -164.76 0.23 Allowed 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 115.38 -0.827 . . . . 11.45 110.951 -179.098 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.469 ' HB1' HD11 ' B' ' 22' ' ' ILE . . . -128.42 83.0 2.12 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.879 0.371 . . . . 8.27 110.455 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 18' ' ' SER . . . . . 0.757 ' HB2' ' HG3' ' B' ' 21' ' ' GLU . 1.4 m -69.17 141.0 54.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.094 -0.503 . . . . 9.28 110.689 179.671 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 19' ' ' LYS . . . . . 0.468 ' HB3' ' HE2' ' B' ' 58' ' ' PHE . 49.6 mttp -52.2 -45.84 65.35 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.978 0.733 . . . . 8.44 112.978 -178.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 3.6 pm0 -65.88 -34.17 77.52 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.721 0.296 . . . . 9.58 111.198 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.757 ' HG3' ' HB2' ' B' ' 18' ' ' SER . 29.0 mt-10 -69.58 -39.58 77.25 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.013 0.435 . . . . 8.61 110.233 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.469 HD11 ' HB1' ' B' ' 17' ' ' ALA . 72.4 mt -68.79 -45.2 81.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 109.375 -0.602 . . . . 4.87 109.375 178.794 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.72 -37.8 79.88 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.702 -0.681 . . . . 4.42 111.143 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.25 -40.02 92.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.113 -0.494 . . . . 5.79 110.522 179.423 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.4 HD21 ' HB3' ' B' ' 74' ' ' PHE . 38.3 mt -71.11 -34.16 70.83 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.28 -0.418 . . . . 4.52 110.894 179.342 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.405 HG13 ' O ' ' B' ' 22' ' ' ILE . 97.1 mt -64.19 -50.87 74.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 4.37 110.344 179.487 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 31.2 m -66.75 -35.1 73.95 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-O 120.917 0.389 . . . . 6.25 110.677 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -63.48 -39.99 95.9 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.12 -0.491 . . . . 6.91 109.777 178.705 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -59.21 -49.24 78.62 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.72 -0.673 . . . . 7.07 110.377 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -63.33 -38.83 92.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.357 -0.383 . . . . 8.36 110.581 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 42.0 m -63.61 -36.21 83.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.009 -0.541 . . . . 9.5 110.474 178.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' SER . . . . . 0.422 ' HA ' ' OE2' ' B' ' 35' ' ' GLU . 19.2 m -70.61 -14.95 62.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.293 0.568 . . . . 9.77 111.019 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.781 HG23 ' HB3' ' B' ' 38' ' ' GLU . 97.2 mt -89.27 -45.87 15.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.049 -0.523 . . . . 11.09 110.011 179.212 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 26.9 m -74.38 -24.0 18.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 112.736 0.643 . . . . 12.38 112.736 -179.144 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.422 ' OE2' ' HA ' ' B' ' 32' ' ' SER . 7.8 pt-20 -64.7 -24.32 67.53 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 111.93 0.344 . . . . 13.19 111.93 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 23.4 pttm -124.54 14.26 8.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.797 0.332 . . . . 13.7 111.258 -179.436 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 20.3 ttmm 51.46 55.15 9.86 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.724 -0.671 . . . . 15.86 112.016 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' GLU . . . . . 0.781 ' HB3' HG23 ' B' ' 33' ' ' ILE . 83.9 tt0 -83.87 -16.53 44.1 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.531 0.682 . . . . 12.56 109.575 179.231 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 39' ' ' ILE . . . . . 0.427 HG13 ' N ' ' B' ' 40' ' ' SER . 4.7 tp -110.2 160.53 9.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.25 -0.887 . . . . 13.67 109.308 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 40' ' ' SER . . . . . 0.427 ' N ' HG13 ' B' ' 39' ' ' ILE . 2.1 p -69.87 167.18 17.88 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.808 0.337 . . . . 15.14 111.6 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -55.08 -38.22 67.79 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.002 -0.545 . . . . 16.66 111.927 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' ASP . . . . . 0.71 ' HA ' ' HD3' ' C' ' 31' ' ' LYS . 0.3 OUTLIER -73.46 -45.29 55.05 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.104 -0.498 . . . . 15.52 110.179 179.346 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 43' ' ' GLY . . . . . 0.43 ' O ' ' HG ' ' B' ' 47' ' ' LEU . . . -59.77 -39.77 95.76 Favored Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 115.902 -0.59 . . . . 13.17 111.881 179.09 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.33 -45.51 91.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.839 0.352 . . . . 12.42 110.682 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 45' ' ' ASP . . . . . 0.402 ' HB3' ' HB ' ' C' ' 27' ' ' ILE . 0.2 OUTLIER -64.31 -43.13 95.66 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.782 -0.645 . . . . 13.38 109.757 179.556 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 19.1 m -62.99 -44.5 95.85 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.318 -0.856 . . . . 11.72 111.413 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 47' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' B' ' 43' ' ' GLY . 74.2 mt -65.83 -35.42 80.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.764 0.316 . . . . 9.64 111.051 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -58.98 -52.21 66.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.495 . . . . 11.12 110.954 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 49' ' ' VAL . . . . . 0.616 HG21 HG21 ' C' ' 91' ' ' THR . 14.4 p -70.14 -33.7 55.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.393 -0.367 . . . . 10.04 111.124 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.41 -42.9 96.93 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.829 0.347 . . . . 8.26 110.164 179.219 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 74.3 mtm -64.07 -36.47 84.12 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.928 -0.578 . . . . 7.93 110.355 179.086 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.16 -42.23 96.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.822 -0.626 . . . . 9.48 110.362 179.446 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 53' ' ' CYS . . . . . 0.464 ' SG ' ' HA2' ' C' ' 69' ' ' GLY . 35.9 m -62.3 -43.39 98.94 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.652 -0.704 . . . . 8.11 110.468 179.366 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 87.9 mt -62.81 -43.27 98.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 6.13 110.313 179.545 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 55' ' ' SER . . . . . 0.429 ' HA ' ' CE1' ' B' ' 60' ' ' PHE . 19.8 m -59.71 -52.07 67.08 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.732 -0.667 . . . . 7.39 112.326 -179.313 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -68.83 -29.63 68.0 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.781 0.66 . . . . 8.81 112.781 -178.735 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.26 -39.14 65.64 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.865 0.32 . . . . 7.38 111.865 -179.551 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 58' ' ' PHE . . . . . 0.468 ' HE2' ' HB3' ' B' ' 19' ' ' LYS . 48.2 m-85 -83.97 -29.35 27.1 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.136 0.421 . . . . 8.09 112.136 -179.643 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 104.01 48.05 1.19 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.675 -0.774 . . . . 9.43 112.994 179.498 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 60' ' ' PHE . . . . . 0.429 ' CE1' ' HA ' ' B' ' 55' ' ' SER . 36.4 p90 -154.11 177.64 10.86 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.829 -0.434 . . . . 8.7 109.829 179.202 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -118.44 146.77 44.21 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.707 0.289 . . . . 11.16 110.62 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 62' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' B' ' 62' ' ' ARG . 14.0 ttp-105 -64.84 -31.38 72.59 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.328 0.585 . . . . 10.74 109.923 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -77.69 0.16 24.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.836 -0.62 . . . . 11.8 111.053 179.344 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -116.29 12.92 15.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.159 -0.473 . . . . 10.53 110.879 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 14.1 p -63.12 -34.47 66.91 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-N 116.156 -0.474 . . . . 9.11 111.12 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.37 -35.36 80.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.112 -0.494 . . . . 10.71 110.539 179.555 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -71.26 -35.6 63.77 Favored Glycine 0 N--CA 1.446 -0.636 0 CA-C-N 115.675 -0.693 . . . . 11.05 112.065 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 56.6 mt -71.04 -51.08 37.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 109.66 -0.496 . . . . 9.74 109.66 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.474 ' O ' ' HB3' ' B' ' 75' ' ' LYS . 96.6 mt -62.24 -29.57 70.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.997 -0.547 . . . . 9.17 110.998 179.788 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -67.05 -26.52 73.31 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 121.175 -0.536 . . . . 11.56 112.381 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 53.8 mttp -92.49 -44.24 8.75 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.768 -0.456 . . . . 12.46 109.768 179.285 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 68.9 m -63.68 161.78 14.38 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.582 -0.735 . . . . 9.82 111.738 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -81.77 20.75 0.91 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.74 -0.664 . . . . 10.24 110.565 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.4 ' HB3' HD21 ' B' ' 25' ' ' LEU . 44.5 m-85 -110.48 11.83 23.03 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.983 -0.553 . . . . 7.68 110.589 -179.389 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 75' ' ' LYS . . . . . 0.474 ' HB3' ' O ' ' B' ' 69' ' ' LEU . 12.9 ptmt -64.87 119.81 11.36 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.823 -0.626 . . . . 11.56 110.421 179.488 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 90.24 9.41 65.33 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.718 -0.753 . . . . 8.65 111.756 -179.306 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 14.9 mm-40 -126.97 166.69 17.05 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.122 -0.325 . . . . 7.58 110.122 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 19.8 m80 -135.27 165.32 25.7 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.426 -0.583 . . . . 7.9 109.426 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 18.1 tp -62.48 -29.65 70.69 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.321 -0.399 . . . . 4.14 110.99 179.739 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.89 -57.48 6.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.033 -0.53 . . . . 5.79 112.289 -179.537 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.58 -39.17 90.23 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 112.748 0.647 . . . . 6.75 112.748 -179.094 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.38 -45.88 94.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 120.903 0.382 . . . . 4.76 111.026 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 5.5 mp -69.51 -28.33 65.95 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.191 0.519 . . . . 5.48 110.953 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -69.82 -45.63 67.44 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.069 -0.514 . . . . 7.63 110.415 179.2 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 3.8 p -70.43 -40.13 73.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 6.84 110.468 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.16 114.71 3.59 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 109.536 -0.542 . . . . 6.55 109.536 178.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 6.5 m -130.83 127.58 38.91 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.238 -0.437 . . . . 8.4 111.687 -178.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 34.9 mmm-85 -124.19 142.31 51.34 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.907 -1.146 . . . . 10.35 107.907 178.505 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 21.8 t -113.28 107.25 53.91 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-O 120.731 0.301 . . . . 11.96 110.768 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 90' ' ' PRO . . . . . 0.465 ' HG2' ' HD3' ' A' ' 75' ' ' LYS . 23.7 Cg_exo . . . . . 0 C--O 1.234 0.312 0 C-N-CA 123.062 2.508 . . . . 13.1 112.037 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 59.1 t . . . . . 0 C--O 1.231 0.116 0 N-CA-C 109.304 -0.628 . . . . 9.95 109.304 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 21' ' ' HIS . . . . . . . . . . . . . 38.2 t60 -81.74 117.12 21.8 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.315 -0.402 . . . . 9.34 111.07 -178.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 22' ' ' LEU . . . . . . . . . . . . . 97.4 mt -124.73 147.8 48.43 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.017 0.437 . . . . 6.88 111.581 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 23' ' ' THR . . . . . 0.569 ' HB ' ' HA ' ' C' ' 89' ' ' THR . 11.9 m -113.88 120.61 41.32 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.727 -0.67 . . . . 8.91 109.423 179.115 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 24' ' ' LEU . . . . . 0.466 ' HB2' HG13 ' C' ' 34' ' ' ILE . 39.8 mt -99.83 116.1 31.12 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.666 0.27 . . . . 8.66 110.299 -179.726 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -131.15 132.3 44.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.249 -0.432 . . . . 13.38 111.417 -179.141 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 26' ' ' LYS . . . . . 0.431 ' HD3' ' CE2' ' C' ' 32' ' ' PHE . 8.4 ttpp -96.26 127.84 42.62 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.432 -0.581 . . . . 14.09 109.432 178.832 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 27' ' ' ILE . . . . . 0.794 HD13 ' H ' ' C' ' 27' ' ' ILE . 0.2 OUTLIER -78.66 -28.51 14.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 112.675 0.62 . . . . 14.88 112.675 -179.194 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 28' ' ' GLN . . . . . 0.451 ' H ' ' HG3' ' C' ' 28' ' ' GLN . 0.0 OUTLIER -93.1 134.44 35.25 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 110.088 -0.338 . . . . 15.23 110.088 179.785 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.74 138.44 77.62 Favored Pre-proline 0 C--N 1.331 -0.238 0 O-C-N 123.316 0.385 . . . . 18.5 111.49 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 30' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -74.91 132.41 27.43 Favored 'Cis proline' 0 C--N 1.348 0.54 0 C-N-CA 123.177 -1.593 . . . . 17.48 112.012 -0.468 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 31' ' ' LYS . . . . . 0.71 ' HD3' ' HA ' ' B' ' 42' ' ' ASP . 45.1 mtmt -83.9 92.89 7.9 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.033 -0.531 . . . . 17.53 111.512 -179.502 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 32' ' ' PHE . . . . . 0.431 ' CE2' ' HD3' ' C' ' 26' ' ' LYS . 43.7 p90 -91.31 159.69 15.89 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 110.02 -0.363 . . . . 13.5 110.02 178.764 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 33' ' ' SER . . . . . . . . . . . . . 19.9 m -147.52 115.34 6.44 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.366 -0.379 . . . . 12.36 110.582 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 34' ' ' ILE . . . . . 0.466 HG13 ' HB2' ' C' ' 24' ' ' LEU . 6.0 pt -131.1 144.03 39.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.135 -0.484 . . . . 10.72 110.722 -179.732 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 35' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -117.71 138.81 51.76 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.223 -0.444 . . . . 10.54 110.411 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 36' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -153.25 163.86 39.14 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.376 -0.374 . . . . 9.85 110.809 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -106.75 127.6 53.52 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.93 -0.577 . . . . 9.77 109.792 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 38' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -114.18 -168.92 1.43 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.194 -0.457 . . . . 9.82 110.115 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 39' ' ' SER . . . . . 0.404 ' HA ' ' HD3' ' C' ' 40' ' ' PRO . 0.4 OUTLIER -118.76 152.81 51.96 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.448 -0.342 . . . . 11.97 110.217 179.776 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 40' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' C' ' 39' ' ' SER . 16.5 Cg_exo -69.04 -18.78 40.24 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.521 2.147 . . . . 12.89 111.478 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.34 -5.01 59.34 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.718 -0.674 . . . . 14.42 110.915 179.721 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 42' ' ' ASP . . . . . 0.468 ' O ' ' HG ' ' C' ' 78' ' ' LEU . 75.3 m-20 -86.59 154.86 20.73 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.191 -0.458 . . . . 11.77 110.261 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 21.8 p -109.9 175.68 5.35 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.277 -0.42 . . . . 11.4 109.952 179.439 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 44' ' ' ILE . . . . . 0.644 HG23 HD12 ' C' ' 65' ' ' LEU . 45.7 mm -60.5 -28.33 42.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.192 0.52 . . . . 7.86 109.867 178.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 47.8 tp -62.23 -35.6 79.43 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.616 -0.72 . . . . 12.88 110.787 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 46' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -63.54 -37.78 88.64 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-N 116.364 -0.38 . . . . 12.18 110.86 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 61.7 mt -65.04 -42.96 95.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 109.492 -0.558 . . . . 8.04 109.492 178.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -61.67 -44.7 96.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.689 -0.687 . . . . 10.51 110.091 179.26 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -61.32 -42.1 98.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.696 -0.684 . . . . 13.94 109.915 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 50' ' ' HIS . . . . . 0.59 ' O ' ' HG2' ' C' ' 54' ' ' GLU . 3.4 t60 -63.98 -41.28 97.57 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.68 -0.691 . . . . 11.16 110.521 179.504 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 19.5 mt -59.73 -39.84 86.04 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 120.873 0.368 . . . . 12.37 111.572 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 52' ' ' ILE . . . . . . . . . . . . . 61.1 mt -67.81 -37.79 79.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 109.575 -0.528 . . . . 15.35 109.575 178.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 4.8 m -63.94 -31.59 72.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.004 -0.543 . . . . 15.02 111.0 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 54' ' ' GLU . . . . . 0.59 ' HG2' ' O ' ' C' ' 50' ' ' HIS . 4.0 mm-40 -86.56 9.35 18.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.466 -0.334 . . . . 14.38 110.674 179.34 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 56.31 44.38 24.8 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.762 -0.654 . . . . 18.85 112.358 179.569 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 56' ' ' LYS . . . . . 0.419 ' HD3' ' HA ' ' C' ' 56' ' ' LYS . 32.7 mmtm -115.83 0.33 13.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.25 -0.432 . . . . 14.47 110.933 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -155.43 162.82 40.68 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.915 -0.584 . . . . 15.28 109.645 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 58' ' ' SER . . . . . . . . . . . . . 8.5 t -105.38 -58.82 1.85 Allowed 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.788 -0.365 . . . . 17.75 111.981 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 59' ' ' HIS . . . . . 0.495 ' HB2' ' HG3' ' C' ' 62' ' ' GLU . 98.1 m-70 -118.06 156.07 29.25 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.857 0.36 . . . . 19.22 111.944 -179.136 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 32.8 mm -65.0 -37.05 79.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.538 -0.755 . . . . 13.8 110.832 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.37 -14.55 63.02 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.751 -0.659 . . . . 14.67 112.755 -179.028 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 62' ' ' GLU . . . . . 0.538 ' O ' ' HA ' ' C' ' 94' ' ' ILE . 41.8 mt-10 -89.52 -19.89 24.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.806 0.336 . . . . 16.71 110.71 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 63' ' ' ILE . . . . . . . . . . . . . 11.4 mt -92.12 108.94 20.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 112.625 0.602 . . . . 10.79 112.625 -177.781 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 64' ' ' LYS . . . . . . . . . . . . . 70.0 tttt -118.54 109.0 15.67 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.825 -0.806 . . . . 9.73 108.825 177.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 65' ' ' LEU . . . . . 0.644 HD12 HG23 ' C' ' 44' ' ' ILE . 80.9 mt -91.86 148.84 21.92 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.215 -0.448 . . . . 5.89 111.708 -178.471 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 66' ' ' LEU . . . . . 0.567 HD21 HG11 ' A' ' 49' ' ' VAL . 3.3 mp -139.96 151.67 45.73 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.01 -0.541 . . . . 7.57 110.968 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 57.2 tp -139.77 110.97 6.98 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.999 -0.546 . . . . 7.44 109.79 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 59.96 27.84 17.28 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 116.148 -0.478 . . . . 12.88 111.497 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 69' ' ' GLY . . . . . 0.464 ' HA2' ' SG ' ' B' ' 53' ' ' CYS . . . 99.28 -22.54 40.26 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.885 -0.674 . . . . 8.93 112.562 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 70' ' ' LYS . . . . . 0.526 ' HE3' ' HA ' ' C' ' 70' ' ' LYS . 0.0 OUTLIER -82.03 122.63 28.06 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.671 0.272 . . . . 9.44 110.736 -179.728 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 71' ' ' VAL . . . . . 0.472 ' HA ' ' HG ' ' C' ' 66' ' ' LEU . 40.9 t -69.28 128.58 32.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.169 -0.469 . . . . 7.05 110.741 179.607 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 53.2 mt -90.17 108.73 19.92 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.053 -0.522 . . . . 5.9 110.272 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 73' ' ' HIS . . . . . . . . . . . . . 6.4 m170 -82.58 156.1 24.13 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.004 -0.544 . . . . 8.93 111.522 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -57.51 -32.36 66.95 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 113.049 0.759 . . . . 9.91 113.049 -178.38 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 75' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -77.72 -4.22 45.1 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.659 0.615 . . . . 13.36 112.659 -179.081 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 76' ' ' LEU . . . . . . . . . . . . . 28.0 tp -84.41 134.52 34.47 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.889 0.376 . . . . 9.58 110.737 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -89.44 152.36 21.52 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.784 -0.644 . . . . 14.32 110.313 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 78' ' ' LEU . . . . . 0.532 ' HA ' ' HG ' ' C' ' 81' ' ' LEU . 23.2 mt -68.16 -15.33 63.54 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.208 -0.451 . . . . 9.53 111.185 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.01 -19.49 60.05 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.967 -0.56 . . . . 12.75 110.944 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 80' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.76 0.96 47.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.287 -0.415 . . . . 12.44 111.132 -179.609 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 81' ' ' LEU . . . . . 0.532 ' HG ' ' HA ' ' C' ' 78' ' ' LEU . 33.8 mt -72.71 122.64 21.82 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.526 -0.306 . . . . 10.15 110.64 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 82' ' ' LYS . . . . . . . . . . . . . 27.6 mmtt -82.36 58.12 3.95 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.122 -0.49 . . . . 12.59 109.718 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 5.3 m -97.48 128.28 48.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.965 -0.561 . . . . 11.5 112.134 -179.05 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 84' ' ' THR . . . . . 0.555 ' HB ' ' HD2' ' C' ' 85' ' ' PRO . 58.5 p -125.26 175.11 3.28 Favored Pre-proline 0 C--N 1.319 -0.752 0 N-CA-C 107.845 -1.169 . . . . 13.96 107.845 179.098 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 85' ' ' PRO . . . . . 0.555 ' HD2' ' HB ' ' C' ' 84' ' ' THR . 54.1 Cg_exo -55.63 -19.44 23.84 Favored 'Trans proline' 0 CA--C 1.533 0.446 0 C-N-CA 122.635 2.223 . . . . 14.91 112.932 179.308 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -87.37 -44.32 11.46 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.145 0.424 . . . . 15.11 112.145 -179.515 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 87' ' ' ASN . . . . . . . . . . . . . 29.1 p-10 -111.98 46.74 1.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.14 0.495 . . . . 12.35 112.135 -178.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.66 6.14 13.58 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.035 0.445 . . . . 10.32 111.318 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 89' ' ' THR . . . . . 0.569 ' HA ' ' HB ' ' C' ' 23' ' ' THR . 6.3 m -101.33 123.45 45.45 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.121 -0.491 . . . . 9.82 111.249 -179.413 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 90' ' ' ILE . . . . . . . . . . . . . 45.8 mm -95.83 132.06 40.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.377 -0.601 . . . . 6.59 109.377 179.446 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 91' ' ' THR . . . . . 0.616 HG21 HG21 ' B' ' 49' ' ' VAL . 4.6 m -77.83 115.11 17.33 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.281 -0.418 . . . . 8.75 110.685 -179.772 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 92' ' ' VAL . . . . . . . . . . . . . 38.8 t -99.46 109.02 23.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.29 -0.414 . . . . 9.58 111.231 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 93' ' ' MET . . . . . 0.504 ' SD ' HD11 ' C' ' 27' ' ' ILE . 21.4 mmm -106.49 122.58 46.58 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.322 -0.622 . . . . 10.9 109.322 178.684 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 94' ' ' ILE . . . . . 0.538 ' HA ' ' O ' ' C' ' 62' ' ' GLU . 84.7 mt -120.41 118.45 56.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 120.83 0.348 . . . . 13.44 110.799 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 95' ' ' LYS . . . . . 0.477 ' HG3' ' OD2' ' A' ' 52' ' ' ASP . 3.4 mmtp . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.111 -0.495 . . . . 14.6 110.856 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.597 0.237 . . . . 10.77 110.45 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 59.64 38.56 21.97 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.552 0.691 . . . . 8.07 109.472 -178.544 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.4 m -61.93 157.13 19.2 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 114.603 -1.18 . . . . 10.11 111.179 -179.173 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.7 mtmm -55.88 -42.0 75.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.463 -0.335 . . . . 10.66 111.271 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -65.26 -36.22 83.44 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.261 -0.427 . . . . 11.43 111.531 179.568 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -59.97 -44.53 94.4 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-O 121.385 0.612 . . . . 8.91 110.017 179.275 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.4 ' O ' HG13 ' A' ' 26' ' ' ILE . 49.7 mt -76.92 -45.24 31.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.326 -0.852 . . . . 6.35 111.4 -179.336 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.72 -46.52 77.71 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.409 -0.359 . . . . 7.12 111.946 -179.339 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.72 -39.94 86.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.432 -0.349 . . . . 7.6 111.121 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.532 ' HB3' ' HB2' ' A' ' 79' ' ' LEU . 92.1 mt -69.07 -37.35 78.45 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.329 -0.396 . . . . 5.59 111.451 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 22' ' ' ILE . 92.9 mt -65.23 -54.56 27.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 CA-C-N 116.245 -0.434 . . . . 4.33 111.452 -179.733 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 20.8 m -64.43 -35.25 73.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.549 -0.296 . . . . 6.96 111.726 -179.526 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -66.02 -38.85 89.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.087 0.47 . . . . 7.34 110.068 179.272 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -62.52 -48.36 79.89 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.775 -0.648 . . . . 5.51 110.32 179.557 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -64.0 -38.06 89.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 6.35 110.878 179.531 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 49.3 m -64.18 -35.43 80.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 8.01 110.709 178.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.4 m -70.25 -31.7 69.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.122 0.487 . . . . 8.27 110.11 179.416 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.64 HG23 ' HB2' ' A' ' 38' ' ' GLU . 96.3 mt -65.35 -49.32 79.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.716 -0.674 . . . . 8.37 110.725 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 30.7 m -75.54 -20.05 15.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.581 -0.281 . . . . 9.63 111.577 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -63.8 -54.92 27.54 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.046 -0.525 . . . . 10.98 111.403 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.1 pttp -95.9 14.93 21.85 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.166 0.432 . . . . 11.09 112.166 -179.404 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.1 tttm 56.48 60.14 3.27 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.668 -0.696 . . . . 11.72 112.242 179.043 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.64 ' HB2' HG23 ' A' ' 33' ' ' ILE . 57.9 mm-40 -82.51 -24.97 33.85 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.017 -0.538 . . . . 9.58 110.971 179.396 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 15.3 tt -119.91 160.71 20.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.017 -0.538 . . . . 9.5 110.662 -179.603 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -74.18 163.31 28.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.718 -0.219 . . . . 9.96 110.661 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.425 ' CD ' ' H ' ' A' ' 41' ' ' GLU . 9.5 mp0 -55.86 -34.8 65.79 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.903 0.382 . . . . 11.9 111.239 -179.675 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -55.74 -37.96 69.16 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.618 -0.719 . . . . 10.3 111.174 179.555 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -88.51 -27.35 25.09 Favored Glycine 0 N--CA 1.447 -0.581 0 CA-C-N 115.783 -0.644 . . . . 8.47 111.618 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.48 -49.43 76.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.626 0.25 . . . . 8.42 111.268 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -62.65 -32.74 73.84 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.279 0.561 . . . . 9.73 110.484 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 13.3 m -68.27 -42.94 78.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.517 -0.765 . . . . 7.86 110.125 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 94.0 mt -69.9 -32.76 71.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.391 -0.368 . . . . 6.77 110.315 179.331 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 36.7 t30 -56.3 -50.07 72.46 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.61 -0.723 . . . . 9.39 111.154 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.435 ' HB ' ' HD3' ' C' ' 64' ' ' LYS . 6.6 p -75.46 -39.47 40.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.438 -0.346 . . . . 9.6 111.47 179.743 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.22 -47.32 86.64 Favored 'General case' 0 C--N 1.333 -0.123 0 N-CA-C 112.035 0.383 . . . . 7.62 112.035 -179.453 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 13.8 mtm -59.62 -36.67 76.79 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.956 0.354 . . . . 8.19 111.956 -179.378 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.15 -45.02 93.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.933 0.397 . . . . 11.12 110.406 179.433 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.63 ' HB3' ' HB3' ' B' ' 46' ' ' SER . 57.0 m -67.7 -32.51 73.2 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.015 -0.539 . . . . 9.77 111.077 179.342 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 96.6 mt -70.78 -39.06 75.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 121.194 0.521 . . . . 9.06 109.74 178.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.494 ' HB3' ' O ' ' A' ' 60' ' ' PHE . 25.2 m -62.95 -46.0 89.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.722 -0.672 . . . . 10.96 111.366 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -70.12 -24.32 63.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.936 0.398 . . . . 12.89 111.986 -179.377 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.3 -33.63 71.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 11.68 111.352 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.403 ' HB2' ' CE1' ' A' ' 60' ' ' PHE . 72.6 m-85 -94.77 -24.0 17.28 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.327 -0.397 . . . . 11.93 111.792 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 96.32 45.6 2.75 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.667 -0.778 . . . . 13.13 113.228 179.134 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.494 ' O ' ' HB3' ' A' ' 55' ' ' SER . 30.0 p90 -149.97 159.88 44.05 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.839 -0.43 . . . . 12.01 109.839 179.3 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -97.55 144.57 27.1 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.812 0.339 . . . . 14.85 110.724 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 22.6 ttp180 -60.66 -28.96 68.99 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.243 0.544 . . . . 11.66 110.32 179.22 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -82.53 1.04 39.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.031 -0.531 . . . . 13.0 111.452 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -111.75 11.17 20.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.851 0.358 . . . . 12.82 111.487 -179.311 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.4 p -59.99 -40.7 83.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.46 -0.336 . . . . 10.88 111.139 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.1 -32.39 73.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.314 -0.403 . . . . 12.04 110.879 179.519 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -71.33 -42.01 57.85 Favored Glycine 0 N--CA 1.448 -0.526 0 N-CA-C 111.53 -0.628 . . . . 12.77 111.53 179.62 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 59.1 mt -65.53 -41.91 91.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.015 0.436 . . . . 11.54 110.336 179.639 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 97.3 mt -67.1 -27.79 67.64 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.109 -0.496 . . . . 10.42 111.172 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -73.12 -26.59 70.37 Favored Glycine 0 C--N 1.33 0.234 0 C-N-CA 121.096 -0.573 . . . . 12.46 112.711 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -95.75 -16.23 22.07 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.081 0.467 . . . . 14.12 110.855 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.0 m -96.32 163.66 12.98 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.134 -0.484 . . . . 10.83 110.605 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -87.6 51.69 2.29 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.07 0.462 . . . . 10.68 110.611 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -133.32 35.94 3.43 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.798 -0.637 . . . . 8.37 109.605 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.428 ' H ' ' HG2' ' A' ' 75' ' ' LYS . 1.4 mmmm -57.84 107.38 0.45 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.306 -0.861 . . . . 12.83 112.055 -179.125 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 71.82 16.82 76.44 Favored Glycine 0 N--CA 1.453 -0.2 0 CA-C-N 115.703 -0.681 . . . . 9.82 113.406 179.059 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.447 ' HB3' HD11 ' A' ' 82' ' ' ILE . 26.7 mm-40 -104.15 144.5 31.49 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 122.687 -0.302 . . . . 8.93 110.679 -179.43 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 4.2 m80 -119.92 153.41 35.94 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.938 -0.393 . . . . 8.72 109.938 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.532 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 47.6 tp -53.13 -38.42 62.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.969 -0.56 . . . . 4.7 112.08 -179.623 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.87 -58.89 6.2 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.275 0.472 . . . . 5.96 112.275 -179.546 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -62.12 -38.83 90.43 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.424 0.527 . . . . 7.82 112.424 -179.328 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.447 HD11 ' HB3' ' A' ' 77' ' ' GLN . 96.6 mt -62.88 -50.25 80.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.519 0.199 . . . . 5.79 110.89 179.761 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 16.1 tp -63.28 -36.92 85.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.114 0.483 . . . . 5.97 110.728 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -67.35 -25.02 65.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.76 -0.654 . . . . 9.2 111.043 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.9 m -93.48 3.48 55.49 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.923 0.392 . . . . 7.98 111.467 -179.478 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -105.99 85.26 2.18 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.085 0.469 . . . . 7.06 110.504 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.53 128.78 37.6 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.883 -0.599 . . . . 9.21 111.176 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -129.53 96.85 4.37 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.885 -0.598 . . . . 9.55 109.667 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 1.6 m -87.96 121.23 70.8 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 116.266 -0.425 . . . . 12.15 111.394 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -76.91 109.59 2.88 Favored 'Trans proline' 0 N--CA 1.461 -0.427 0 C-N-CA 122.767 2.312 . . . . 12.82 111.97 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -94.6 93.03 7.34 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.117 -0.492 . . . . 14.19 110.228 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.656 -0.688 . . . . 15.67 110.554 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 59.6 ttp . . . . . 0 N--CA 1.482 1.16 0 N-CA-C 111.579 0.215 . . . . 11.23 111.579 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 23.4 mmt -75.52 82.07 2.55 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.728 -0.471 . . . . 13.11 109.728 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 72.3 m 67.56 99.18 0.05 Allowed 'General case' 0 C--N 1.332 -0.177 0 O-C-N 123.808 0.693 . . . . 11.45 110.219 -178.183 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.99 95.81 0.01 OUTLIER 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.81 -0.632 . . . . 8.27 111.938 -179.193 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 14.4 m -96.14 160.32 14.5 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.412 -0.813 . . . . 9.28 109.989 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -53.72 -41.64 67.23 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.197 0.444 . . . . 8.44 112.197 -179.13 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -61.37 -44.89 96.4 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 111.844 0.313 . . . . 9.58 111.844 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.684 ' HB3' ' HE2' ' B' ' 74' ' ' PHE . 16.7 mt-10 -62.74 -42.53 99.71 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 120.92 0.39 . . . . 8.61 110.779 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 46.3 mt -70.15 -46.37 72.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.977 -0.556 . . . . 4.87 111.138 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.38 -42.48 77.93 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.189 -0.459 . . . . 4.42 111.673 -179.579 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.2 -40.38 81.43 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.119 -0.491 . . . . 5.79 110.983 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 80.4 mt -73.38 -36.92 66.13 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.195 -0.457 . . . . 4.52 111.135 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 90.6 mt -62.82 -51.8 67.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.419 -0.355 . . . . 4.37 110.802 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 29.3 m -66.91 -33.05 60.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.78 0.324 . . . . 6.25 111.072 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -66.5 -44.0 83.78 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.27 -0.423 . . . . 6.91 110.163 179.09 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' TYR . . . . . 0.464 ' O ' HG13 ' B' ' 33' ' ' ILE . 39.7 t80 -57.0 -49.74 74.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.707 -0.679 . . . . 7.07 110.591 179.49 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -61.21 -40.04 92.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.239 -0.437 . . . . 8.36 110.803 179.498 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 39.0 m -64.15 -43.55 94.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.034 -0.53 . . . . 9.5 110.548 179.406 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' SER . . . . . 0.521 ' HA ' ' HG2' ' B' ' 35' ' ' GLU . 48.8 m -66.01 -19.68 65.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.352 -0.385 . . . . 9.77 111.351 179.407 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.607 HG23 ' HB3' ' B' ' 38' ' ' GLU . 79.6 mt -81.95 -48.43 18.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.312 -0.404 . . . . 11.09 110.036 178.776 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 34.7 m -74.44 -33.76 34.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 113.043 0.757 . . . . 12.38 113.043 -178.701 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.521 ' HG2' ' HA ' ' B' ' 32' ' ' SER . 9.5 pt-20 -65.4 -28.5 69.3 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 112.284 0.476 . . . . 13.19 112.284 -179.131 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 36' ' ' LYS . . . . . 0.41 ' HE2' ' HB2' ' B' ' 38' ' ' GLU . 24.3 pttm -103.43 7.95 37.98 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.951 0.405 . . . . 13.7 110.493 179.183 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 53.37 47.42 24.22 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.542 -0.754 . . . . 15.86 112.658 179.781 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 38' ' ' GLU . . . . . 0.607 ' HB3' HG23 ' B' ' 33' ' ' ILE . 82.2 tt0 -70.96 -48.99 50.28 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.938 -0.574 . . . . 12.56 109.84 179.503 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 18.2 tt -98.83 153.51 4.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.091 -0.504 . . . . 13.67 109.827 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.28 153.48 43.57 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.689 -0.232 . . . . 15.14 110.598 179.741 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 41' ' ' GLU . . . . . 0.408 ' HA ' ' HB3' ' B' ' 44' ' ' ALA . 38.6 mp0 -55.23 -30.95 61.04 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 122.874 0.47 . . . . 16.66 112.127 -179.564 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -58.92 -41.28 86.93 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.807 0.337 . . . . 15.52 110.618 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -92.07 -29.09 11.98 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.959 -0.639 . . . . 13.17 112.149 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 44' ' ' ALA . . . . . 0.408 ' HB3' ' HA ' ' B' ' 41' ' ' GLU . . . -62.47 -33.14 74.26 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.757 0.313 . . . . 12.42 110.623 179.74 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.39 -47.95 83.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.743 -0.662 . . . . 13.38 110.144 179.318 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 46' ' ' SER . . . . . 0.63 ' HB3' ' HB3' ' A' ' 53' ' ' CYS . 1.6 m -63.37 -39.96 95.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.682 -0.69 . . . . 11.72 110.802 179.701 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 89.8 mt -65.45 -37.12 85.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.887 0.375 . . . . 9.64 110.875 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -64.61 -48.57 74.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.975 -0.557 . . . . 11.12 111.426 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 27.3 m -69.16 -36.76 74.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 112.031 0.382 . . . . 10.04 112.031 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.44 -34.61 78.33 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.51 -0.552 . . . . 8.26 109.51 178.723 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 32.9 ttm -62.34 -35.95 80.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.366 -0.834 . . . . 7.93 110.002 178.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -64.07 -44.34 92.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.828 -0.624 . . . . 9.48 110.16 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 74.0 m -58.45 -43.67 88.91 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.773 -0.648 . . . . 8.11 110.628 179.162 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 88.6 mt -62.31 -46.43 96.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.888 -0.597 . . . . 6.13 110.056 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 55' ' ' SER . . . . . 0.575 ' HA ' ' CE1' ' B' ' 60' ' ' PHE . 13.7 m -62.14 -45.99 91.0 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.704 -0.68 . . . . 7.39 111.536 -179.784 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -66.62 -41.34 88.5 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.373 -0.376 . . . . 8.81 111.919 -179.438 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.13 -35.96 82.48 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.56 0.578 . . . . 7.38 112.56 -179.302 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -88.36 -17.49 30.46 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.19 0.441 . . . . 8.09 112.19 -179.432 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.47 53.59 3.04 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.877 -0.677 . . . . 9.43 113.561 179.061 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 60' ' ' PHE . . . . . 0.575 ' CE1' ' HA ' ' B' ' 55' ' ' SER . 14.8 p90 -160.14 164.29 33.07 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 110.026 -0.361 . . . . 8.7 110.026 179.273 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 61' ' ' GLU . . . . . 0.457 ' OE1' ' HD3' ' B' ' 62' ' ' ARG . 2.7 mm-40 -120.2 168.02 11.66 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.612 0.244 . . . . 11.16 110.893 179.207 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 62' ' ' ARG . . . . . 0.457 ' HD3' ' OE1' ' B' ' 61' ' ' GLU . 0.6 OUTLIER -62.54 -32.37 73.31 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.016 -0.538 . . . . 10.74 111.911 -179.078 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 63' ' ' GLU . . . . . 0.5 ' HA ' ' OE1' ' B' ' 63' ' ' GLU . 3.0 tp10 -72.13 -9.19 58.09 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.858 0.361 . . . . 11.8 111.898 -179.23 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -95.47 -10.03 30.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.367 -0.378 . . . . 10.53 111.385 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 5.5 p -60.27 -37.14 72.68 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 N-CA-C 112.181 0.437 . . . . 9.11 112.181 -178.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.21 -34.53 77.85 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.027 0.441 . . . . 10.71 110.876 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -82.02 -36.1 19.43 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.813 -0.708 . . . . 11.05 111.82 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 98.1 mt -65.76 -47.14 86.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 110.315 -0.254 . . . . 9.74 110.315 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 75.6 mt -60.54 -26.9 67.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.34 -0.391 . . . . 9.17 111.207 179.673 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -74.33 -41.2 38.51 Favored Glycine 0 N--CA 1.45 -0.429 0 N-CA-C 111.33 -0.708 . . . . 11.56 111.33 179.149 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 55.6 mttp -73.94 -45.72 48.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.098 0.475 . . . . 12.46 110.276 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 25.1 m -70.94 158.35 36.61 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.365 -0.834 . . . . 9.82 110.329 179.516 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -89.6 51.99 2.23 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.237 0.541 . . . . 10.24 111.524 -179.096 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.684 ' HE2' ' HB3' ' B' ' 21' ' ' GLU . 44.4 m-85 -134.0 15.07 3.9 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.646 -0.707 . . . . 7.68 109.865 179.37 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 6.5 pttm -65.99 128.0 34.31 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.327 -0.851 . . . . 11.56 111.046 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 85.03 8.15 82.62 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.869 -0.681 . . . . 8.65 111.567 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -132.18 150.6 52.12 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.734 0.302 . . . . 7.58 110.255 -179.59 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 26.5 m80 -116.02 165.01 13.6 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.953 -0.758 . . . . 7.9 108.953 178.722 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 45.7 tp -55.16 -42.12 72.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.986 0.422 . . . . 4.14 111.857 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.82 -40.23 96.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 5.79 111.737 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -60.59 -52.41 65.26 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.001 0.429 . . . . 6.75 111.118 -179.362 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 19.7 mt -60.34 -44.56 96.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.613 -0.721 . . . . 4.76 111.459 -179.211 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 86.1 mt -71.13 -18.26 62.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.363 -0.38 . . . . 5.48 111.656 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -77.51 -45.68 24.75 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.429 -0.582 . . . . 7.63 109.429 178.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.25 -28.09 67.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.847 -0.615 . . . . 6.84 110.884 179.18 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -73.4 90.32 1.68 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.112 -0.495 . . . . 6.55 110.643 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 1.4 m -112.99 54.23 0.73 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.924 -0.58 . . . . 8.4 110.859 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 33.4 ttt180 -76.24 134.72 39.75 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.255 -0.646 . . . . 10.35 109.255 179.078 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 4.9 t -96.34 109.75 49.1 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 116.577 -0.283 . . . . 11.96 110.969 -179.232 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo . . . . . 0 C--O 1.236 0.411 0 C-N-CA 122.611 2.207 . . . . 13.1 111.423 179.624 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 20' ' ' VAL . . . . . 0.471 HG12 ' HG ' ' C' ' 22' ' ' LEU . 17.8 t . . . . . 0 C--O 1.233 0.219 0 CA-C-O 121.014 0.435 . . . . 9.95 110.702 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 21' ' ' HIS . . . . . . . . . . . . . 40.6 t60 -80.51 105.53 11.83 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.791 -0.64 . . . . 9.34 110.118 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 22' ' ' LEU . . . . . 0.471 ' HG ' HG12 ' C' ' 20' ' ' VAL . 86.8 mt -114.88 146.98 40.53 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.955 0.407 . . . . 6.88 111.893 -179.409 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 23' ' ' THR . . . . . 0.465 HG23 ' HG2' ' C' ' 35' ' ' GLU . 3.2 m -107.98 116.11 31.36 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.367 -0.833 . . . . 8.91 109.303 178.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 24' ' ' LEU . . . . . . . . . . . . . 35.5 mt -99.97 115.95 30.89 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.688 0.28 . . . . 8.66 110.601 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 25' ' ' LYS . . . . . 0.617 ' HA ' ' O ' ' C' ' 32' ' ' PHE . 6.7 tttt -130.34 132.53 45.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.326 -0.397 . . . . 13.38 112.052 -179.707 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 26' ' ' LYS . . . . . 0.418 ' HA ' ' O ' ' C' ' 92' ' ' VAL . 24.9 ttpp -91.79 138.49 31.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 14.09 110.018 178.843 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 27' ' ' ILE . . . . . 0.486 HD11 ' HG2' ' C' ' 93' ' ' MET . 12.1 pt -78.03 -42.35 27.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 113.078 0.77 . . . . 14.88 113.078 -179.032 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 19.3 mp0 -83.21 137.82 33.88 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.994 -0.283 . . . . 15.23 111.395 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 29' ' ' ALA . . . . . 0.463 ' HA ' ' C ' ' C' ' 30' ' ' PRO . . . -66.65 145.44 98.94 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.044 -0.526 . . . . 18.5 111.342 179.656 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 30' ' ' PRO . . . . . 0.463 ' C ' ' HA ' ' C' ' 29' ' ' ALA . 51.6 Cg_endo -70.82 137.3 45.56 Favored 'Cis proline' 0 C--N 1.347 0.449 0 C-N-CA 123.254 -1.561 . . . . 17.48 111.563 0.301 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 24.3 mttm -91.02 148.66 22.24 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.157 -0.474 . . . . 17.53 110.184 -179.451 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 32' ' ' PHE . . . . . 0.617 ' O ' ' HA ' ' C' ' 25' ' ' LYS . 43.3 p90 -147.31 150.16 34.23 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.685 -0.487 . . . . 13.5 109.685 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 33' ' ' SER . . . . . . . . . . . . . 42.5 m -133.38 90.29 2.71 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 120.931 0.396 . . . . 12.36 110.123 179.208 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 42.4 pt -103.71 144.24 14.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.192 -0.458 . . . . 10.72 110.446 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 35' ' ' GLU . . . . . 0.465 ' HG2' HG23 ' C' ' 23' ' ' THR . 26.3 mt-10 -119.91 156.42 30.79 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.634 0.254 . . . . 10.54 110.99 -179.436 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 36' ' ' HIS . . . . . . . . . . . . . 26.1 t60 -165.8 145.63 6.45 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.086 -0.506 . . . . 9.85 110.169 178.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -96.46 114.62 26.3 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.282 -0.417 . . . . 9.77 110.219 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 38' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -107.07 -173.95 2.42 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.397 -0.365 . . . . 9.82 110.973 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -110.31 150.2 41.24 Favored Pre-proline 0 C--N 1.328 -0.352 0 N-CA-C 109.837 -0.431 . . . . 11.97 109.837 179.699 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -65.61 -17.44 56.94 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 122.38 2.053 . . . . 12.89 112.213 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.91 -8.49 59.68 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.959 -0.564 . . . . 14.42 110.853 179.647 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -84.34 157.1 21.59 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.939 -0.573 . . . . 11.77 109.976 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 32.8 p -111.8 173.92 6.12 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.222 -0.445 . . . . 11.4 110.108 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 44' ' ' ILE . . . . . 0.721 HD11 HD21 ' C' ' 81' ' ' LEU . 46.3 mm -58.74 -27.08 33.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.176 0.512 . . . . 7.86 110.38 179.181 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 45' ' ' LEU . . . . . 0.784 ' HG ' ' HB3' ' C' ' 74' ' ' ASP . 0.7 OUTLIER -60.14 -37.16 79.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.865 -0.607 . . . . 12.88 110.635 179.239 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 46' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -65.08 -36.74 85.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.011 0.434 . . . . 12.18 110.534 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 61.1 mt -65.92 -43.53 92.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.94 -0.573 . . . . 8.04 109.536 179.133 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -61.98 -43.95 97.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.946 -0.57 . . . . 10.51 109.953 178.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -60.94 -41.46 96.32 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.874 -0.603 . . . . 13.94 109.841 178.82 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 50' ' ' HIS . . . . . 0.48 ' O ' ' HG2' ' C' ' 54' ' ' GLU . 77.3 t60 -60.43 -42.21 95.61 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.734 -0.666 . . . . 11.16 110.491 179.375 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 43.9 mt -62.31 -35.52 79.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 12.37 110.768 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 52' ' ' ILE . . . . . . . . . . . . . 81.5 mt -70.1 -42.62 79.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.176 -0.465 . . . . 15.35 110.566 179.455 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 1.6 p -67.19 -24.45 65.86 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.89 0.376 . . . . 15.02 111.228 179.509 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 54' ' ' GLU . . . . . 0.48 ' HG2' ' O ' ' C' ' 50' ' ' HIS . 17.6 mm-40 -87.74 8.8 23.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.304 -0.407 . . . . 14.38 110.393 179.14 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 59.14 39.87 22.51 Favored 'General case' 0 C--N 1.334 -0.085 0 CA-C-N 115.781 -0.645 . . . . 18.85 112.079 179.289 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 27.9 mmtm -108.1 -15.72 14.44 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.905 -0.589 . . . . 14.47 110.538 179.374 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -151.77 174.77 13.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.06 -0.518 . . . . 15.28 109.828 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 58' ' ' SER . . . . . . . . . . . . . 74.1 m -120.86 -55.01 2.01 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.303 0.483 . . . . 17.75 112.303 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 59' ' ' HIS . . . . . 0.496 ' HB2' ' HG3' ' C' ' 62' ' ' GLU . 90.9 m-70 -107.8 158.93 16.9 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.941 0.4 . . . . 19.22 111.604 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 31.8 mm -70.85 -40.41 76.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.78 -0.645 . . . . 13.8 111.667 -179.108 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 1.5 m -69.45 -18.07 63.69 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.671 0.619 . . . . 14.67 112.671 -178.471 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 62' ' ' GLU . . . . . 0.496 ' HG3' ' HB2' ' C' ' 59' ' ' HIS . 55.3 mt-10 -75.35 -25.19 57.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.859 0.362 . . . . 16.71 110.856 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 63' ' ' ILE . . . . . . . . . . . . . 5.8 mt -96.32 118.29 42.35 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 CA-C-N 115.765 -0.652 . . . . 10.79 112.171 -178.485 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 64' ' ' LYS . . . . . 0.435 ' HD3' ' HB ' ' A' ' 49' ' ' VAL . 64.1 tttt -120.35 106.55 11.97 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.164 -1.05 . . . . 9.73 108.164 177.315 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 65' ' ' LEU . . . . . 0.666 HD12 HG23 ' C' ' 44' ' ' ILE . 76.7 mt -85.51 147.03 26.64 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.38 -0.373 . . . . 5.89 111.761 -178.365 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 66' ' ' LEU . . . . . 0.554 ' HB2' ' HB ' ' C' ' 91' ' ' THR . 4.3 mp -136.46 144.58 44.46 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.043 -0.526 . . . . 7.57 110.252 179.558 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 67' ' ' LEU . . . . . 0.548 ' HB3' HD21 ' C' ' 72' ' ' LEU . 66.8 tp -141.28 113.79 8.21 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.427 -0.351 . . . . 7.44 110.182 179.197 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 68' ' ' LYS . . . . . 0.402 ' HB3' ' HE3' ' C' ' 68' ' ' LYS . 0.1 OUTLIER 57.3 38.63 28.65 Favored 'General case' 0 N--CA 1.465 0.283 0 O-C-N 123.646 0.591 . . . . 12.88 111.247 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 87.81 -24.9 9.37 Favored Glycine 0 N--CA 1.449 -0.469 0 CA-C-N 115.84 -0.618 . . . . 8.93 113.027 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 70' ' ' LYS . . . . . 0.436 ' HE3' ' HA ' ' C' ' 70' ' ' LYS . 0.1 OUTLIER -82.96 119.3 24.26 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.813 0.339 . . . . 9.44 111.149 -179.576 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 71' ' ' VAL . . . . . . . . . . . . . 44.2 t -67.75 130.04 32.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.042 -0.526 . . . . 7.05 109.947 178.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 72' ' ' LEU . . . . . 0.548 HD21 ' HB3' ' C' ' 67' ' ' LEU . 46.9 mt -91.05 126.02 36.02 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.069 -0.514 . . . . 5.9 110.14 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 73' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -101.99 157.29 16.97 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.034 -0.53 . . . . 8.93 111.145 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 74' ' ' ASP . . . . . 0.784 ' HB3' ' HG ' ' C' ' 45' ' ' LEU . 0.9 OUTLIER -56.55 -31.75 64.48 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.009 -0.541 . . . . 9.91 112.269 -178.917 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 75' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -85.96 30.83 0.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.493 0.553 . . . . 13.36 112.493 -178.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 76' ' ' LEU . . . . . . . . . . . . . 20.6 tp -119.98 134.84 55.12 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.812 -0.44 . . . . 9.58 109.812 179.302 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -85.72 154.81 21.38 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.231 -0.44 . . . . 14.32 110.521 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 78' ' ' LEU . . . . . 0.433 ' HA ' ' HG ' ' C' ' 81' ' ' LEU . 14.8 mt -65.32 -25.45 67.62 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.079 0.4 . . . . 9.53 112.079 -179.058 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 79' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.73 -17.54 63.46 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.996 0.427 . . . . 12.75 111.2 179.527 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 80' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -87.78 -12.18 45.87 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 116.13 -0.486 . . . . 12.44 110.83 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 81' ' ' LEU . . . . . 0.721 HD21 HD11 ' C' ' 44' ' ' ILE . 63.9 mt -69.53 126.33 29.43 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.075 -0.511 . . . . 10.15 110.868 -179.611 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 82' ' ' LYS . . . . . . . . . . . . . 67.9 mmtt -81.97 66.43 7.54 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.111 -0.495 . . . . 12.59 109.871 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 7.6 m -101.78 124.95 55.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 121.454 0.645 . . . . 11.5 111.874 -179.505 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 84' ' ' THR . . . . . 0.493 ' HB ' ' HD2' ' C' ' 85' ' ' PRO . 71.2 p -119.48 173.29 3.64 Favored Pre-proline 0 C--N 1.319 -0.728 0 N-CA-C 108.478 -0.934 . . . . 13.96 108.478 179.661 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 85' ' ' PRO . . . . . 0.493 ' HD2' ' HB ' ' C' ' 84' ' ' THR . 51.5 Cg_exo -58.32 -22.79 59.64 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 121.981 1.787 . . . . 14.91 110.751 178.291 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -85.49 -57.22 3.15 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 115.534 -0.757 . . . . 15.11 110.933 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 87' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -109.38 86.03 2.21 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.582 0.586 . . . . 12.35 112.582 -179.38 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 88' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -115.25 9.49 15.76 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.45 0.643 . . . . 10.32 110.275 178.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 89' ' ' THR . . . . . 0.426 ' HA ' ' HB ' ' C' ' 23' ' ' THR . 3.6 m -93.29 132.72 37.23 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.594 -0.73 . . . . 9.82 111.264 -179.313 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 90' ' ' ILE . . . . . 0.515 HD13 HD13 ' C' ' 67' ' ' LEU . 39.5 mm -104.48 132.66 50.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 109.301 -0.629 . . . . 6.59 109.301 179.608 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 91' ' ' THR . . . . . 0.554 ' HB ' ' HB2' ' C' ' 66' ' ' LEU . 18.9 m -78.6 117.77 20.08 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.502 -0.317 . . . . 8.75 110.56 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 92' ' ' VAL . . . . . 0.418 ' O ' ' HA ' ' C' ' 26' ' ' LYS . 52.7 t -101.19 104.69 16.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.241 -0.436 . . . . 9.58 110.674 179.629 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 93' ' ' MET . . . . . 0.486 ' HG2' HD11 ' C' ' 27' ' ' ILE . 4.8 tmm? -107.0 118.04 35.64 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.734 -0.839 . . . . 10.9 108.734 178.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 94' ' ' ILE . . . . . 0.412 ' HA ' ' O ' ' C' ' 62' ' ' GLU . 76.8 mt -118.79 126.99 75.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.874 0.368 . . . . 13.44 111.34 -179.297 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 95' ' ' LYS . . . . . . . . . . . . . 21.6 mmtp . . . . . 0 C--N 1.324 -0.511 0 CA-C-N 115.916 -0.584 . . . . 14.6 109.705 179.208 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.8 m . . . . . 0 C--O 1.234 0.246 0 N-CA-C 111.962 0.356 . . . . 10.77 111.962 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 56.93 64.49 1.63 Allowed 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.304 0.573 . . . . 8.07 110.318 -179.35 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 m -64.55 169.98 4.39 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.321 -0.854 . . . . 10.11 112.575 -178.518 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 39.0 mmtm -53.77 -46.88 71.1 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.706 -0.679 . . . . 10.66 111.96 -179.212 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.4 pm0 -67.12 -35.34 79.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.354 -0.385 . . . . 11.43 111.917 -179.257 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -65.11 -43.11 93.07 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.138 0.494 . . . . 8.91 110.325 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.619 HG12 HD23 ' B' ' 83' ' ' LEU . 63.9 mt -69.31 -43.99 80.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.834 -0.621 . . . . 6.35 109.966 179.042 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.455 ' HA ' HD12 ' A' ' 26' ' ' ILE . . . -61.47 -35.57 78.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.895 -0.593 . . . . 7.12 111.133 179.698 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.0 -41.6 92.43 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.877 -0.601 . . . . 7.6 110.451 179.474 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.629 HD12 HD21 ' B' ' 83' ' ' LEU . 25.3 mt -70.94 -32.6 69.56 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.298 -0.41 . . . . 5.59 111.05 179.572 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.455 HD12 ' HA ' ' A' ' 23' ' ' ALA . 91.4 mt -64.5 -52.18 58.46 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-N 116.069 -0.514 . . . . 4.33 110.111 179.537 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.2 m -67.09 -33.91 66.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.973 0.416 . . . . 6.96 110.715 179.603 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -63.94 -38.98 93.06 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.937 -0.574 . . . . 7.34 109.521 178.692 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.529 ' O ' HG13 ' A' ' 33' ' ' ILE . 37.0 t80 -62.34 -52.14 64.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.802 -0.636 . . . . 5.51 110.03 179.112 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -57.01 -42.92 81.2 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.092 -0.504 . . . . 6.35 110.728 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.503 ' O ' ' HG2' ' A' ' 35' ' ' GLU . 20.4 m -62.6 -44.21 96.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.944 -0.571 . . . . 8.01 110.821 179.656 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 17.3 m -63.01 -34.95 78.65 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.338 -0.392 . . . . 8.27 111.239 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.529 HG13 ' O ' ' A' ' 29' ' ' TYR . 84.2 mt -63.28 -46.42 95.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.498 -0.319 . . . . 8.37 110.66 179.506 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.419 HG22 ' O ' ' A' ' 31' ' ' SER . 5.3 m -72.09 -18.43 19.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 112.149 0.425 . . . . 9.63 112.149 -179.321 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.503 ' HG2' ' O ' ' A' ' 31' ' ' SER . 34.4 mm-40 -71.43 -35.95 71.11 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.109 0.481 . . . . 10.98 110.476 179.383 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.8 pttt -105.55 6.91 32.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.953 -0.567 . . . . 11.09 111.119 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 52.4 45.88 27.7 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 115.795 -0.639 . . . . 11.72 111.45 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -80.21 9.32 5.82 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.994 -0.548 . . . . 9.58 111.706 -179.39 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 9.5 tp -147.87 157.67 8.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.217 -0.66 . . . . 9.5 109.217 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.56 151.16 45.32 Favored 'General case' 0 N--CA 1.451 -0.405 0 O-C-N 123.117 0.26 . . . . 9.96 110.434 179.73 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -52.93 -42.52 65.49 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.435 -0.348 . . . . 11.9 111.55 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.59 -39.01 86.52 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.157 -0.474 . . . . 10.3 111.192 179.648 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.12 -43.0 49.54 Favored Glycine 0 N--CA 1.447 -0.584 0 N-CA-C 110.932 -0.867 . . . . 8.47 110.932 179.289 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.6 -37.16 80.48 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.115 0.483 . . . . 8.42 109.996 179.044 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.637 ' OD2' ' HA ' ' C' ' 70' ' ' LYS . 22.8 t70 -59.66 -48.73 80.53 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.327 -0.851 . . . . 9.73 109.92 178.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 50.8 m -65.92 -37.45 86.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.88 -0.6 . . . . 7.86 111.281 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 63.6 mt -65.38 -36.68 84.72 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.811 0.339 . . . . 6.77 111.003 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 -68.69 -43.6 75.73 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.053 -0.521 . . . . 9.39 111.811 -179.472 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.881 HG21 ' HA2' ' C' ' 69' ' ' GLY . 9.6 m -65.69 -36.71 78.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 120.895 0.378 . . . . 9.6 111.062 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.455 ' O ' HG13 ' A' ' 54' ' ' ILE . . . -70.59 -38.85 74.06 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.99 -0.55 . . . . 7.62 109.64 179.278 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 30.5 ttm -58.49 -43.03 88.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.506 -0.77 . . . . 8.19 110.403 179.319 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -61.54 -39.83 92.49 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.96 -0.564 . . . . 11.12 110.751 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 34.9 m -67.61 -32.55 73.35 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.122 -0.49 . . . . 9.77 111.425 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.455 HG13 ' O ' ' A' ' 50' ' ' ALA . 97.3 mt -62.87 -43.11 98.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 9.06 110.491 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.33 -45.01 88.92 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.858 -0.61 . . . . 10.96 111.053 179.682 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.424 ' H ' ' HG2' ' A' ' 56' ' ' GLU . 2.9 mm-40 -65.89 -36.66 84.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.912 -0.585 . . . . 12.89 111.108 -179.679 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.76 -49.86 69.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 11.68 112.222 -179.233 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.41 ' HB2' ' CD1' ' A' ' 60' ' ' PHE . 91.5 m-85 -81.21 -12.86 59.05 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.274 0.472 . . . . 11.93 112.274 -179.008 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 77.11 49.83 7.25 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.696 -0.764 . . . . 13.13 113.175 179.023 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.41 ' CD1' ' HB2' ' A' ' 58' ' ' PHE . 24.4 p90 -146.6 152.11 38.39 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.663 -0.495 . . . . 12.01 109.663 179.206 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -74.92 135.28 41.45 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.875 0.369 . . . . 14.85 110.982 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.413 ' HE ' ' HB3' ' A' ' 62' ' ' ARG . 10.4 ttp180 -58.64 -42.42 88.26 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.875 -0.602 . . . . 11.66 110.926 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 29.0 mp0 -81.38 3.92 22.64 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.042 -0.527 . . . . 13.0 111.746 -179.47 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -102.26 8.51 40.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.173 0.511 . . . . 12.82 110.606 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.3 p -58.99 -39.8 79.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.497 -0.774 . . . . 10.88 111.606 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -64.77 -36.93 85.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.817 0.342 . . . . 12.04 110.997 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -64.0 -42.17 98.32 Favored Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 111.642 -0.583 . . . . 12.77 111.642 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 60.4 mt -70.11 -52.52 29.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 110.046 -0.353 . . . . 11.54 110.046 179.517 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.437 ' O ' ' HB3' ' A' ' 75' ' ' LYS . 27.2 mt -57.0 -35.12 68.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 10.42 112.114 -179.61 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -58.66 -28.5 62.83 Favored Glycine 0 CA--C 1.519 0.331 0 C-N-CA 121.283 -0.484 . . . . 12.46 113.326 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -108.99 13.26 24.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.029 0.443 . . . . 14.12 110.812 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 46.6 m -103.57 166.43 10.43 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.096 -0.502 . . . . 10.83 110.71 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.432 ' H ' ' HG2' ' A' ' 73' ' ' GLU . 6.6 pt-20 -74.31 -21.92 59.5 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.152 -0.476 . . . . 10.68 110.876 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -93.62 34.64 1.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.994 -0.548 . . . . 8.37 111.34 -179.341 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.437 ' HB2' ' HE3' ' A' ' 75' ' ' LYS . 17.1 ptmt -79.12 135.37 36.82 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.345 -0.389 . . . . 12.83 111.258 -179.713 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 75.0 17.5 80.26 Favored Glycine 0 N--CA 1.449 -0.472 0 CA-C-N 115.752 -0.658 . . . . 9.82 112.465 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.414 ' HB2' HD11 ' A' ' 82' ' ' ILE . 26.7 mm-40 -125.07 170.59 11.03 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 110.147 -0.316 . . . . 8.93 110.147 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 24.8 m80 -130.61 154.34 47.96 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.028 -0.73 . . . . 8.72 109.028 179.249 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 20.4 tp -59.46 -27.93 66.53 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.963 0.411 . . . . 4.7 111.11 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.09 -59.43 3.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.082 -0.508 . . . . 5.96 111.905 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.81 -40.86 94.31 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 112.898 0.703 . . . . 7.82 112.898 -179.114 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.414 HD11 ' HB2' ' A' ' 77' ' ' GLN . 86.8 mt -61.25 -48.26 89.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 120.745 0.307 . . . . 5.79 111.344 179.647 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.9 mp -71.07 -27.77 63.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.284 -0.416 . . . . 5.97 111.738 -179.341 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -73.56 -33.02 64.47 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.154 0.502 . . . . 9.2 110.462 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.8 m -82.12 -10.79 59.06 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.921 -0.582 . . . . 7.98 110.918 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -77.66 93.61 4.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.911 -0.586 . . . . 7.06 110.411 179.588 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.504 ' HA ' ' SD ' ' B' ' 14' ' ' MET . 0.9 OUTLIER -69.77 113.71 7.28 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.68 -0.691 . . . . 9.21 111.006 -179.819 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -125.56 112.85 16.67 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.116 -0.493 . . . . 9.55 109.917 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 16.0 t -101.6 120.95 52.97 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 116.19 -0.459 . . . . 12.15 110.379 -179.371 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.566 ' HD3' ' HB3' ' B' ' 73' ' ' GLU . 46.8 Cg_endo -70.09 87.59 0.59 Allowed 'Trans proline' 0 C--O 1.234 0.318 0 C-N-CA 122.554 2.169 . . . . 12.82 111.968 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -80.41 73.26 7.3 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.924 -0.58 . . . . 14.19 110.725 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.252 1.194 0 CA-C-O 118.58 -0.724 . . . . 15.67 110.124 179.906 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 14' ' ' MET . . . . . 0.504 ' SD ' ' HA ' ' A' ' 87' ' ' SER . 34.6 ttp . . . . . 0 N--CA 1.484 1.234 0 CA-C-O 120.309 0.1 . . . . 11.23 110.938 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 22.7 mmt -61.79 94.03 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.549 -0.296 . . . . 13.11 110.388 179.068 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 15.2 m 61.35 75.61 0.4 Allowed 'General case' 0 C--O 1.232 0.142 0 O-C-N 123.653 0.596 . . . . 11.45 109.861 -178.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -41.66 100.34 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.406 0 O-C-N 123.984 0.803 . . . . 8.27 112.643 -179.022 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 1.3 m -84.77 166.53 16.88 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.175 -0.92 . . . . 9.28 111.2 -179.616 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 1.1 mppt? -59.05 -42.17 89.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.075 -0.512 . . . . 8.44 111.376 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 7.4 pm0 -65.55 -36.64 84.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.478 -0.328 . . . . 9.58 111.595 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -61.88 -49.54 75.82 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 120.997 0.427 . . . . 8.61 110.114 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 67.8 mt -68.55 -40.98 82.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.509 -0.769 . . . . 4.87 111.0 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.95 -41.96 88.69 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.266 -0.424 . . . . 4.42 111.126 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.4 -40.21 93.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.05 -0.523 . . . . 5.79 110.557 179.583 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 87.5 mt -70.04 -34.16 72.88 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.198 -0.455 . . . . 4.52 110.696 179.686 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 96.0 mt -64.63 -52.42 54.97 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 CA-C-N 116.031 -0.531 . . . . 4.37 110.58 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 16.9 m -66.35 -32.95 60.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.447 -0.342 . . . . 6.25 110.893 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -64.94 -40.97 95.85 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.413 -0.588 . . . . 6.91 109.413 178.662 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -61.44 -49.97 74.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.574 -0.739 . . . . 7.07 110.306 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -62.79 -40.5 97.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 8.36 110.919 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 50.4 m -62.98 -36.1 82.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.401 -0.363 . . . . 9.5 110.681 179.199 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' SER . . . . . 0.525 ' HA ' ' HG2' ' B' ' 35' ' ' GLU . 44.7 m -69.84 -25.66 63.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 9.77 110.754 179.674 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.839 HG23 ' HB2' ' B' ' 38' ' ' GLU . 95.5 mt -78.99 -44.59 24.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.304 -0.407 . . . . 11.09 110.771 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 34.1 m -74.45 -31.31 27.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 113.229 0.826 . . . . 12.38 113.229 -178.699 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.525 ' HG2' ' HA ' ' B' ' 32' ' ' SER . 5.3 pt-20 -58.78 -39.73 81.92 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.448 0.536 . . . . 13.19 112.448 -179.384 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 36' ' ' LYS . . . . . 0.442 ' N ' ' HG3' ' B' ' 35' ' ' GLU . 14.2 pttm -111.1 19.16 18.69 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.9 0.381 . . . . 13.7 111.34 -179.659 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 78.0 tttt 43.7 70.35 0.32 Allowed 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 113.929 1.085 . . . . 15.86 113.929 179.221 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' GLU . . . . . 0.839 ' HB2' HG23 ' B' ' 33' ' ' ILE . 45.0 mt-10 -86.42 -10.11 54.94 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.298 0.57 . . . . 12.56 109.938 178.673 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 39' ' ' ILE . . . . . 0.419 HG23 ' HB2' ' B' ' 44' ' ' ALA . 20.1 tt -137.27 152.32 27.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.481 -0.781 . . . . 13.67 109.978 -179.395 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.41 163.8 20.06 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.649 -0.25 . . . . 15.14 111.309 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 41' ' ' GLU . . . . . 0.401 ' O ' ' HB3' ' B' ' 45' ' ' ASP . 49.7 mp0 -57.74 -29.66 64.95 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 116.501 -0.318 . . . . 16.66 111.779 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.36 -27.87 62.67 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.417 -0.356 . . . . 15.52 111.013 179.598 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -108.45 -39.53 1.76 Allowed Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.971 -0.633 . . . . 13.17 111.781 178.642 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' ALA . . . . . 0.419 ' HB2' HG23 ' B' ' 39' ' ' ILE . . . -60.82 -50.93 71.46 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.427 0.529 . . . . 12.42 112.427 -179.301 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 45' ' ' ASP . . . . . 0.401 ' HB3' ' O ' ' B' ' 41' ' ' GLU . 1.1 t70 -60.78 -30.97 70.36 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.445 0.641 . . . . 13.38 111.264 -179.464 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 1.5 m -73.82 -21.83 60.0 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.774 -0.648 . . . . 11.72 110.85 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 95.3 mt -80.47 -27.7 37.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.097 -0.502 . . . . 9.64 110.893 179.552 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -57.86 -43.95 86.26 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.161 -0.472 . . . . 11.12 111.004 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 13.6 p -79.43 -30.28 13.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.998 0.428 . . . . 10.04 110.717 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.19 -47.74 78.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.164 -0.471 . . . . 8.26 110.883 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 68.1 mtm -61.56 -36.17 79.86 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.14 -0.482 . . . . 7.93 110.774 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -60.54 -48.59 81.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.853 -0.612 . . . . 9.48 109.894 179.156 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 36.7 m -62.38 -39.82 94.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.58 -0.736 . . . . 8.11 110.97 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 97.8 mt -63.43 -39.49 85.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.3 -0.409 . . . . 6.13 110.458 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 55' ' ' SER . . . . . 0.515 ' HA ' ' CE1' ' B' ' 60' ' ' PHE . 19.4 m -59.23 -48.14 82.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.847 -0.615 . . . . 7.39 111.194 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -73.56 -25.89 60.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.281 -0.418 . . . . 8.81 111.462 -179.614 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.1 -43.51 87.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.267 -0.424 . . . . 7.38 111.935 -179.611 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -91.66 -11.82 35.93 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.966 0.412 . . . . 8.09 111.415 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.09 51.39 5.05 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.776 -0.726 . . . . 9.43 112.808 179.446 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 60' ' ' PHE . . . . . 0.515 ' CE1' ' HA ' ' B' ' 55' ' ' SER . 36.9 p90 -139.54 147.33 41.06 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.83 0.348 . . . . 8.7 110.775 179.122 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -73.25 136.46 44.62 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.986 -0.552 . . . . 11.16 110.846 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 18.5 ttp180 -66.73 -27.77 67.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.204 0.526 . . . . 10.74 110.098 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -89.73 6.94 39.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.795 -0.639 . . . . 11.8 110.838 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -111.73 17.23 20.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.415 -0.357 . . . . 10.53 111.093 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 3.2 p -58.94 -46.45 91.44 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-N 116.247 -0.433 . . . . 9.11 111.844 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 1.2 m -69.25 -24.34 63.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.058 0.456 . . . . 10.71 110.603 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -69.0 -41.16 82.99 Favored Glycine 0 N--CA 1.446 -0.64 0 N-CA-C 111.332 -0.707 . . . . 11.05 111.332 179.151 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 56.1 mt -69.95 -45.17 77.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 109.766 -0.457 . . . . 9.74 109.766 179.183 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 96.9 mt -62.91 -31.18 72.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.948 -0.569 . . . . 9.17 110.627 179.392 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -77.66 -21.04 72.96 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.83 -0.7 . . . . 11.56 111.652 179.428 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 17.0 tttp -85.33 -59.88 2.19 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.792 0.33 . . . . 12.46 110.218 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 1.2 m -71.0 166.85 20.46 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.074 -0.512 . . . . 9.82 110.549 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.566 ' HB3' ' HD3' ' A' ' 90' ' ' PRO . 1.0 OUTLIER -80.65 44.61 0.73 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.019 0.438 . . . . 10.24 111.253 179.887 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -121.09 14.61 11.45 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.078 0.466 . . . . 7.68 110.889 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 75' ' ' LYS . . . . . 0.533 ' H ' ' HD2' ' B' ' 75' ' ' LYS . 0.0 OUTLIER -67.64 130.35 42.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.984 -0.553 . . . . 11.56 110.669 179.788 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 76.0 20.63 77.48 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.927 -0.654 . . . . 8.65 112.494 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 -132.19 130.7 41.38 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.765 0.317 . . . . 7.58 110.851 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 30.5 m80 -104.91 159.12 16.05 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.031 -0.729 . . . . 7.9 109.031 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 35.1 tp -55.62 -40.81 72.62 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.477 -0.329 . . . . 4.14 111.827 -179.533 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.5 -45.17 94.24 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.343 -0.39 . . . . 5.79 111.503 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -59.9 -56.18 24.88 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 116.163 -0.471 . . . . 6.75 110.596 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 80.2 mt -56.08 -50.82 67.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.174 -0.921 . . . . 4.76 112.3 -179.055 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 83' ' ' LEU . . . . . 0.629 HD21 HD12 ' A' ' 25' ' ' LEU . 10.9 tp -59.15 -41.35 88.12 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.779 0.659 . . . . 5.48 112.779 -178.46 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -72.48 -30.72 64.79 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 111.857 0.317 . . . . 7.63 111.857 -179.097 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 27.1 p -80.83 -39.34 26.74 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.866 0.321 . . . . 6.84 111.866 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -98.35 68.72 1.91 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.158 0.504 . . . . 6.55 111.457 -179.281 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 1.4 m -108.6 144.22 36.6 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.158 -0.474 . . . . 8.4 110.259 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 53.1 mtp180 -106.31 157.34 17.67 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.571 0.225 . . . . 10.35 110.773 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 42.7 t -91.42 120.12 68.41 Favored Pre-proline 0 C--N 1.325 -0.497 0 N-CA-C 109.563 -0.532 . . . . 11.96 109.563 179.256 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo . . . . . 0 C--O 1.234 0.285 0 C-N-CA 122.948 2.432 . . . . 13.1 112.437 -179.659 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 56.9 t . . . . . 0 C--O 1.231 0.113 0 N-CA-C 109.814 -0.439 . . . . 9.95 109.814 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 21' ' ' HIS . . . . . . . . . . . . . 67.6 t60 -89.54 114.83 26.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.331 -0.395 . . . . 9.34 110.956 -179.398 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 22' ' ' LEU . . . . . . . . . . . . . 95.9 mt -118.56 153.94 33.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.317 -0.401 . . . . 6.88 111.514 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 23' ' ' THR . . . . . . . . . . . . . 23.1 m -115.71 123.07 47.37 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.262 -0.644 . . . . 8.91 109.262 179.4 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 24' ' ' LEU . . . . . 0.68 HD13 HD21 ' C' ' 51' ' ' LEU . 25.1 mt -101.87 121.89 42.97 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.826 0.346 . . . . 8.66 111.55 -179.057 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 19.5 tptm -127.98 117.61 22.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.047 -0.524 . . . . 13.38 110.529 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 26' ' ' LYS . . . . . 0.617 ' HE3' ' HD1' ' C' ' 32' ' ' PHE . 25.5 ttpp -90.91 140.69 29.58 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.425 -0.352 . . . . 14.09 111.522 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 27' ' ' ILE . . . . . 0.531 ' O ' ' HE2' ' C' ' 31' ' ' LYS . 62.9 mt -86.24 -47.61 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.024 -0.534 . . . . 14.88 111.152 179.558 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 23.6 mp0 -65.15 133.89 52.56 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.792 0.329 . . . . 15.23 110.897 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.29 142.39 94.67 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 116.002 -0.544 . . . . 18.5 111.019 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 30' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -76.46 135.86 41.81 Favored 'Cis proline' 0 C--O 1.234 0.324 0 C-N-CA 123.454 -1.478 . . . . 17.48 111.51 -0.256 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 31' ' ' LYS . . . . . 0.531 ' HE2' ' O ' ' C' ' 27' ' ' ILE . 90.6 mttt -76.17 127.6 33.25 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.145 -0.479 . . . . 17.53 110.712 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 32' ' ' PHE . . . . . 0.634 ' HE2' HG12 ' C' ' 34' ' ' ILE . 9.7 p90 -122.34 154.68 37.33 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.173 -0.467 . . . . 13.5 110.168 179.257 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 33' ' ' SER . . . . . 0.51 ' HA ' ' O ' ' C' ' 24' ' ' LEU . 2.2 m -140.87 103.57 4.52 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.125 -0.489 . . . . 12.36 109.978 179.31 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 34' ' ' ILE . . . . . 0.634 HG12 ' HE2' ' C' ' 32' ' ' PHE . 46.9 pt -123.26 153.59 28.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.407 -0.36 . . . . 10.72 110.84 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 35' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -121.02 138.14 54.31 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.243 -0.435 . . . . 10.54 110.355 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 36' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -153.4 151.18 29.62 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.879 0.371 . . . . 9.85 111.062 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -98.03 134.06 41.65 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.597 -0.729 . . . . 9.77 110.353 179.733 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 38' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -127.31 -179.02 4.67 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.001 -0.74 . . . . 9.82 109.001 179.031 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 2.5 m -108.38 150.73 40.96 Favored Pre-proline 0 C--N 1.325 -0.494 0 C-N-CA 121.178 -0.209 . . . . 11.97 110.512 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_exo -66.53 -17.81 53.6 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.718 2.279 . . . . 12.89 110.907 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.38 -15.66 54.57 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.393 -0.821 . . . . 14.42 111.083 179.69 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -80.99 163.76 23.03 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.311 -0.404 . . . . 11.77 110.611 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 77.2 p -111.33 173.85 6.15 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.268 -0.423 . . . . 11.4 110.555 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 44' ' ' ILE . . . . . 0.668 HD11 HD21 ' C' ' 81' ' ' LEU . 42.6 mm -63.27 -27.67 43.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.257 0.551 . . . . 7.86 109.865 178.83 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 53.8 tp -59.8 -38.97 83.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.504 -0.771 . . . . 12.88 110.72 179.524 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 46' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -61.61 -38.41 87.51 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.213 -0.448 . . . . 12.18 111.459 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 53.8 mt -63.92 -43.12 97.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 109.694 -0.484 . . . . 8.04 109.694 179.254 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -63.39 -44.25 95.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.587 -0.733 . . . . 10.51 110.082 179.192 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -62.25 -35.35 78.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.798 -0.637 . . . . 13.94 110.666 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 50' ' ' HIS . . . . . 0.543 ' O ' ' HG2' ' C' ' 54' ' ' GLU . 3.4 t60 -72.69 -29.35 63.33 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.826 -0.624 . . . . 11.16 111.435 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 51' ' ' LEU . . . . . 0.68 HD21 HD13 ' C' ' 24' ' ' LEU . 65.7 mt -65.07 -34.36 78.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.934 0.397 . . . . 12.37 110.996 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 52' ' ' ILE . . . . . . . . . . . . . 40.8 mt -69.52 -38.23 76.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.012 -0.54 . . . . 15.35 110.529 179.394 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 1.4 p -70.66 -19.45 62.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.834 0.35 . . . . 15.02 111.341 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 54' ' ' GLU . . . . . 0.543 ' HG2' ' O ' ' C' ' 50' ' ' HIS . 30.5 mm-40 -93.81 7.44 44.88 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.464 -0.334 . . . . 14.38 110.374 179.205 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 61.39 38.06 16.41 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.693 -0.685 . . . . 18.85 111.859 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -118.08 7.32 12.18 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.92 -0.582 . . . . 14.47 111.148 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -162.47 171.49 16.99 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.161 -0.472 . . . . 15.28 110.483 -179.498 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 58' ' ' SER . . . . . . . . . . . . . 1.1 t -122.52 -63.99 1.23 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.512 -0.313 . . . . 17.75 110.807 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 59' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 -113.02 149.69 32.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.852 0.358 . . . . 19.22 111.048 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 39.4 mm -63.79 -33.8 64.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.945 -0.57 . . . . 13.8 111.661 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.55 -13.08 62.14 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.575 0.584 . . . . 14.67 112.575 -178.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 62' ' ' GLU . . . . . 0.459 ' O ' ' HA ' ' C' ' 94' ' ' ILE . 33.4 mt-10 -94.92 -11.06 29.33 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.98 0.419 . . . . 16.71 111.316 -178.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 63' ' ' ILE . . . . . . . . . . . . . 19.7 mt -94.17 105.12 16.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 112.666 0.617 . . . . 10.79 112.666 -178.117 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 64' ' ' LYS . . . . . . . . . . . . . 31.9 mtmt -102.45 108.44 19.75 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.932 -0.766 . . . . 9.73 108.932 178.342 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 65' ' ' LEU . . . . . 0.518 ' HB3' HD12 ' C' ' 72' ' ' LEU . 61.6 mt -97.68 135.62 39.22 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.628 0.251 . . . . 5.89 110.717 -179.394 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 66' ' ' LEU . . . . . 0.605 HD13 ' HB ' ' A' ' 49' ' ' VAL . 5.6 mt -132.4 152.8 51.33 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.217 -0.447 . . . . 7.57 110.678 -179.611 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 67' ' ' LEU . . . . . 0.407 HD13 HD13 ' C' ' 90' ' ' ILE . 55.0 tp -139.23 106.17 5.43 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.705 -0.48 . . . . 7.44 109.705 178.753 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 58.0 32.31 21.8 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.236 0.541 . . . . 12.88 110.997 -179.52 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 69' ' ' GLY . . . . . 0.881 ' HA2' HG21 ' A' ' 49' ' ' VAL . . . 95.8 -8.85 68.4 Favored Glycine 0 N--CA 1.446 -0.68 0 CA-C-N 115.725 -0.671 . . . . 8.93 112.966 179.642 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 70' ' ' LYS . . . . . 0.637 ' HA ' ' OD2' ' A' ' 45' ' ' ASP . 0.3 OUTLIER -87.62 126.23 34.83 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.63 0.215 . . . . 9.44 111.389 -179.605 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 71' ' ' VAL . . . . . . . . . . . . . 70.5 t -72.33 112.44 8.03 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 N-CA-C 109.238 -0.653 . . . . 7.05 109.238 178.123 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 72' ' ' LEU . . . . . 0.518 HD12 ' HB3' ' C' ' 65' ' ' LEU . 81.4 mt -72.52 108.61 5.67 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.979 -0.555 . . . . 5.9 111.078 -179.373 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 73' ' ' HIS . . . . . 0.42 ' HB2' ' HB2' ' C' ' 76' ' ' LEU . 96.2 m-70 -68.5 141.97 55.42 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.194 -0.912 . . . . 8.93 110.462 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -56.68 -38.28 72.04 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 112.516 0.562 . . . . 9.91 112.516 -178.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 75' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -91.09 13.15 17.69 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.955 0.354 . . . . 13.36 111.955 -179.367 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 76' ' ' LEU . . . . . 0.42 ' HB2' ' HB2' ' C' ' 73' ' ' HIS . 40.9 tp -83.05 133.77 35.06 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.725 -0.472 . . . . 9.58 109.725 179.367 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -84.15 148.37 26.8 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.093 -0.503 . . . . 14.32 110.874 -179.525 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 78' ' ' LEU . . . . . 0.594 ' HA ' ' HG ' ' C' ' 81' ' ' LEU . 26.5 mt -68.84 -14.81 63.26 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.992 -0.549 . . . . 9.53 111.623 -179.488 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.08 -7.32 55.51 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.306 -0.406 . . . . 12.75 111.482 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 80' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -109.15 -0.3 19.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.022 0.439 . . . . 12.44 110.897 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 81' ' ' LEU . . . . . 0.668 HD21 HD11 ' C' ' 44' ' ' ILE . 37.1 mt -66.17 126.61 29.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.472 . . . . 10.15 111.28 -179.563 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 82' ' ' LYS . . . . . . . . . . . . . 41.3 mmtm -82.47 65.19 7.48 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.015 -0.538 . . . . 12.59 109.93 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 14.5 m -104.93 144.63 14.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.169 -0.469 . . . . 11.5 111.215 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 84' ' ' THR . . . . . . . . . . . . . 32.6 p -132.48 167.46 22.46 Favored Pre-proline 0 C--N 1.32 -0.678 0 N-CA-C 108.662 -0.866 . . . . 13.96 108.662 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 85' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -58.49 -23.73 65.76 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.594 2.196 . . . . 14.91 111.704 179.355 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -81.45 -40.02 23.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.242 -0.435 . . . . 15.11 111.3 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 87' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -131.38 101.74 5.67 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.631 0.604 . . . . 12.35 112.631 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 88' ' ' SER . . . . . . . . . . . . . 18.9 m -123.02 17.18 10.05 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.988 -0.745 . . . . 10.32 108.988 178.591 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 89' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.95 125.83 34.73 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.147 -0.933 . . . . 9.82 111.448 -179.259 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 90' ' ' ILE . . . . . 0.407 HD13 HD13 ' C' ' 67' ' ' LEU . 46.9 mm -98.4 129.43 48.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 109.117 -0.697 . . . . 6.59 109.117 179.118 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 91' ' ' THR . . . . . 0.59 ' HB ' ' HB2' ' C' ' 66' ' ' LEU . 1.0 OUTLIER -80.52 112.09 17.55 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.098 -0.501 . . . . 8.75 110.399 -179.7 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 92' ' ' VAL . . . . . 0.543 ' O ' ' HA ' ' C' ' 26' ' ' LYS . 31.6 t -102.51 114.89 43.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 116.107 -0.497 . . . . 9.58 111.015 -179.697 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 93' ' ' MET . . . . . . . . . . . . . 2.6 mtm -120.16 120.84 37.34 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.613 -0.514 . . . . 10.9 109.613 178.789 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 94' ' ' ILE . . . . . 0.459 ' HA ' ' O ' ' C' ' 62' ' ' GLU . 80.7 mt -119.57 119.06 59.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.151 0.501 . . . . 13.44 111.929 -178.785 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 95' ' ' LYS . . . . . . . . . . . . . 70.8 mttt . . . . . 0 C--N 1.324 -0.501 0 CA-C-N 115.344 -0.844 . . . . 14.6 109.324 179.361 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.5 m . . . . . 0 C--O 1.233 0.22 0 CA-C-O 120.803 0.335 . . . . 10.77 110.686 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 63.4 44.51 5.39 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 109.035 -0.728 . . . . 8.07 109.035 -178.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.428 ' HB2' ' OE1' ' A' ' 20' ' ' GLU . 0.3 OUTLIER -71.67 176.91 4.44 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 114.624 -1.171 . . . . 10.11 110.503 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.404 ' HD3' ' HG3' ' B' ' 38' ' ' GLU . 13.0 mtmt -53.11 -40.8 64.43 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.199 0.444 . . . . 10.66 112.199 -179.412 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.428 ' OE1' ' HB2' ' A' ' 18' ' ' SER . 2.9 pm0 -71.17 -36.56 72.05 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.164 0.431 . . . . 11.43 112.164 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -64.94 -35.21 80.43 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.164 0.507 . . . . 8.91 110.862 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 49.4 mt -85.55 -44.39 17.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.885 -0.598 . . . . 6.35 112.163 -179.055 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.37 -43.21 64.55 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 112.368 0.507 . . . . 7.12 112.368 -178.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.83 -41.98 88.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.138 -0.483 . . . . 7.6 111.406 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 86.7 mt -73.86 -34.1 64.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.335 -0.393 . . . . 5.59 111.736 -179.355 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 84.1 mt -61.44 -53.66 45.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.954 0.407 . . . . 4.33 111.011 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 30.1 m -67.17 -34.19 67.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.384 -0.371 . . . . 6.96 111.362 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -66.71 -35.3 79.79 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.036 0.446 . . . . 7.34 109.93 179.143 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -60.48 -51.37 69.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.862 -0.608 . . . . 5.51 110.039 179.163 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -62.52 -38.8 91.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.046 -0.524 . . . . 6.35 110.458 179.636 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.1 m -62.06 -41.72 98.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.043 -0.526 . . . . 8.01 110.579 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.484 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 18.2 m -62.63 -36.48 82.93 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.083 -0.508 . . . . 8.27 110.842 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.557 HG23 ' HB3' ' A' ' 38' ' ' GLU . 69.6 mt -69.85 -47.55 69.1 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 CA-C-N 115.987 -0.551 . . . . 8.37 111.402 -179.765 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 34.6 m -69.74 -31.73 49.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 113.166 0.802 . . . . 9.63 113.166 -179.022 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -61.5 -40.65 95.36 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.867 0.321 . . . . 10.98 111.867 -179.676 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.484 ' HG2' ' O ' ' A' ' 32' ' ' SER . 32.7 pttt -96.85 6.13 49.25 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.595 -0.275 . . . . 11.09 111.303 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 39.5 tttm 54.2 47.38 23.27 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 115.905 -0.588 . . . . 11.72 111.125 -179.268 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.557 ' HB3' HG23 ' A' ' 33' ' ' ILE . 18.2 tt0 -82.79 -4.76 58.4 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.492 0.663 . . . . 9.58 109.73 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 17.8 tt -121.96 156.38 26.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.252 -0.885 . . . . 9.5 109.085 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.2 m -76.33 156.14 33.58 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 110.418 -0.216 . . . . 9.96 110.418 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -54.29 -32.49 56.52 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 116.65 -0.25 . . . . 11.9 111.645 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -63.43 -43.55 97.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.377 -0.374 . . . . 10.3 110.772 179.586 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.04 -39.74 53.07 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.97 -0.633 . . . . 8.47 111.58 179.322 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.96 -33.83 76.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.16 0.505 . . . . 8.42 110.105 179.304 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -58.77 -49.0 79.28 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.346 -0.843 . . . . 9.73 110.083 179.038 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.5 m -69.51 -27.77 65.47 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.838 -0.619 . . . . 7.86 111.162 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 45.5 mt -67.84 -28.99 68.03 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.23 0.456 . . . . 6.77 112.23 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -58.88 -40.26 83.85 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.982 0.42 . . . . 9.39 110.918 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.905 HG11 HD21 ' C' ' 66' ' ' LEU . 14.7 p -87.82 -31.83 5.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.302 -0.408 . . . . 9.6 110.852 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.04 -48.83 78.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 7.62 110.755 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 43.1 ttm -63.46 -37.05 85.8 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.133 0.492 . . . . 8.19 110.242 179.675 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -64.67 -43.5 93.37 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.557 -0.747 . . . . 11.12 110.42 179.614 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.523 ' HA ' ' HG2' ' A' ' 56' ' ' GLU . 12.7 m -68.61 -33.07 73.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.035 -0.53 . . . . 9.77 111.872 179.568 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 96.6 mt -67.13 -39.31 82.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 108.484 -0.932 . . . . 9.06 108.484 178.467 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.55 ' HA ' ' CE1' ' A' ' 60' ' ' PHE . 19.3 m -66.05 -44.0 85.89 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.295 -0.866 . . . . 10.96 111.347 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.523 ' HG2' ' HA ' ' A' ' 53' ' ' CYS . 12.0 pt-20 -67.65 -35.37 78.77 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-O 120.798 0.332 . . . . 12.89 111.595 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.57 -48.23 67.5 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.243 -0.435 . . . . 11.68 111.86 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -81.07 -6.57 58.96 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.8 0.333 . . . . 11.93 111.796 -179.503 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.13 52.95 24.8 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 121.238 -0.506 . . . . 13.13 113.289 179.181 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.55 ' CE1' ' HA ' ' A' ' 55' ' ' SER . 15.2 p90 -148.04 156.45 42.65 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 110.244 -0.28 . . . . 12.01 110.244 179.303 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 46.3 mp0 -96.64 147.11 24.22 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.751 0.31 . . . . 14.85 110.665 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 11.4 ttp180 -63.04 -31.39 72.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.297 0.57 . . . . 11.66 110.062 179.449 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -75.06 7.38 3.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.435 -0.802 . . . . 13.0 111.472 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.451 ' O ' HG13 ' A' ' 68' ' ' ILE . . . -118.2 0.46 11.75 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.578 0.214 . . . . 12.82 111.578 -179.769 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 14.3 p -60.39 -34.47 57.88 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 CA-C-O 120.968 0.413 . . . . 10.88 111.175 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -36.87 85.09 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.706 -0.679 . . . . 12.04 110.602 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -73.38 -42.87 40.18 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.942 -0.647 . . . . 12.77 111.923 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 64' ' ' ALA . 34.2 mt -60.28 -41.46 87.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.765 0.317 . . . . 11.54 110.797 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 95.0 mt -68.31 -30.97 70.07 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.886 0.374 . . . . 10.42 110.587 179.25 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -74.83 -32.02 57.51 Favored Glycine 0 N--CA 1.448 -0.554 0 CA-C-N 115.96 -0.564 . . . . 12.46 112.936 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -84.74 -29.27 25.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.89 0.376 . . . . 14.12 111.593 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.9 m -86.87 165.05 16.24 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.269 -0.423 . . . . 10.83 110.314 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -88.46 44.22 1.19 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.297 0.57 . . . . 10.68 110.648 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -132.26 19.81 4.42 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.645 -0.707 . . . . 8.37 110.331 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.9 ptmt -66.67 120.3 13.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.641 -0.709 . . . . 12.83 110.736 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 85.79 12.72 71.2 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.555 -0.831 . . . . 9.82 111.859 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -115.06 143.23 45.52 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.815 0.341 . . . . 8.93 110.811 179.509 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 22.8 m80 -116.39 151.1 36.65 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.248 -0.433 . . . . 8.72 109.946 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.469 HD11 HD11 ' B' ' 79' ' ' LEU . 16.3 tp -55.23 -38.7 68.8 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 123.21 0.319 . . . . 4.7 111.43 -179.625 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.8 -43.42 93.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.24 -0.437 . . . . 5.96 110.909 179.602 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -63.1 -43.8 97.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.001 -0.545 . . . . 7.82 111.096 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 71.4 mt -62.51 -48.69 87.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.694 -0.685 . . . . 5.79 110.762 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.466 HD21 HD12 ' B' ' 25' ' ' LEU . 8.6 mp -67.41 -28.22 67.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.85 0.357 . . . . 5.97 111.611 -179.579 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.545 ' O ' ' HA ' ' B' ' 14' ' ' MET . 60.1 t30 -71.93 -45.47 61.03 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.933 0.397 . . . . 9.2 110.082 179.103 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.5 m -69.61 -35.8 75.6 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.94 -0.573 . . . . 7.98 110.487 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.65 119.2 9.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.958 -0.564 . . . . 7.06 109.947 179.167 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.799 ' HA ' ' HB2' ' B' ' 14' ' ' MET . 2.9 m -108.86 114.99 29.23 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.188 -0.46 . . . . 9.21 110.702 -179.307 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -116.08 110.21 18.57 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.226 -0.443 . . . . 9.55 110.431 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 41.9 t -98.06 111.07 58.43 Favored Pre-proline 0 C--N 1.324 -0.539 0 N-CA-C 109.796 -0.446 . . . . 12.15 109.796 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.875 ' HB3' ' HD3' ' B' ' 75' ' ' LYS . 58.6 Cg_endo -72.94 76.68 2.47 Favored 'Trans proline' 0 N--CA 1.462 -0.336 0 C-N-CA 122.738 2.292 . . . . 12.82 112.537 -179.336 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -77.31 72.56 3.86 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.093 0.473 . . . . 14.19 110.251 179.103 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.474 -0.774 . . . . 15.67 110.334 -179.632 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' MET . . . . . 0.799 ' HB2' ' HA ' ' A' ' 87' ' ' SER . 48.4 ttp . . . . . 0 N--CA 1.485 1.308 0 N-CA-C 111.882 0.327 . . . . 11.23 111.882 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 55.4 ttm -90.42 70.85 7.0 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.512 0.56 . . . . 13.11 112.512 -178.211 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 7.9 m 50.92 89.94 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 112.866 0.691 . . . . 11.45 112.866 179.158 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.98 115.78 7.87 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.881 0.372 . . . . 8.27 110.949 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -77.72 164.05 25.61 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.035 -0.53 . . . . 9.28 110.644 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 5.6 mmpp? -57.13 -47.73 80.42 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.798 0.332 . . . . 8.44 111.141 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -60.85 -37.2 81.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.892 -0.595 . . . . 9.58 111.804 -179.621 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -71.33 -42.04 69.08 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.169 -0.469 . . . . 8.61 111.159 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 66.4 mt -68.44 -40.65 82.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.297 -0.411 . . . . 4.87 110.126 179.384 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.429 ' HA ' HD12 ' B' ' 26' ' ' ILE . . . -61.15 -34.37 74.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.943 -0.571 . . . . 4.42 110.621 179.5 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.65 -38.92 89.51 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.937 -0.574 . . . . 5.79 110.345 179.322 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.466 HD12 HD21 ' A' ' 83' ' ' LEU . 72.0 mt -73.45 -32.3 64.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.355 -0.384 . . . . 4.52 110.354 179.327 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.429 HD12 ' HA ' ' B' ' 23' ' ' ALA . 99.6 mt -65.03 -50.34 75.16 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 CA-C-N 115.895 -0.593 . . . . 4.37 109.694 178.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 29.0 m -68.83 -30.03 45.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.367 -0.378 . . . . 6.25 110.29 179.175 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -63.12 -41.3 99.3 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 109.187 -0.671 . . . . 6.91 109.187 178.026 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 30.2 t80 -63.18 -44.99 93.86 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.385 -0.825 . . . . 7.07 109.773 178.734 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' PHE . . . . . 0.447 ' O ' ' HB ' ' B' ' 33' ' ' ILE . 15.6 m-85 -62.37 -37.96 87.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.067 0.461 . . . . 8.36 110.247 178.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 23.2 m -65.85 -39.4 90.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.006 -0.543 . . . . 9.5 109.663 178.605 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' SER . . . . . 0.446 ' HA ' ' HG2' ' B' ' 35' ' ' GLU . 16.8 m -70.62 -7.68 46.06 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.766 -0.652 . . . . 9.77 110.471 179.344 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.851 HG23 ' HB3' ' B' ' 38' ' ' GLU . 52.6 mt -91.19 -50.02 13.0 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 CA-C-N 115.653 -0.703 . . . . 11.09 110.072 179.032 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 31.5 m -74.4 -23.11 18.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 113.014 0.746 . . . . 12.38 113.014 -178.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.446 ' HG2' ' HA ' ' B' ' 32' ' ' SER . 11.0 pt-20 -72.76 -24.92 61.02 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.608 0.596 . . . . 13.19 112.608 -179.515 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 10.4 pttm -129.27 23.45 5.57 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.317 0.488 . . . . 13.7 112.317 -179.35 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 16.8 ttmm 48.92 56.87 7.08 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.408 0.623 . . . . 15.86 112.091 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' GLU . . . . . 0.851 ' HB3' HG23 ' B' ' 33' ' ' ILE . 19.8 tp10 -74.6 -26.34 59.85 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.551 -0.749 . . . . 12.56 109.067 179.247 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 6.4 tp -126.08 163.08 28.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.036 -0.984 . . . . 13.67 108.835 179.52 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.8 164.5 23.48 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.657 0.265 . . . . 15.14 111.239 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.18 -34.39 72.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.78 0.324 . . . . 16.66 111.167 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.43 -43.78 98.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 15.52 110.945 178.837 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.36 -35.04 81.37 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.924 -0.655 . . . . 13.17 111.588 179.3 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.27 -30.34 70.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.944 0.402 . . . . 12.42 110.641 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -62.65 -49.33 75.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.904 -0.589 . . . . 13.38 109.887 179.477 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 1.4 m -70.06 -38.26 75.74 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.033 -0.531 . . . . 11.72 111.298 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 41.0 mt -61.36 -25.74 67.36 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.698 0.629 . . . . 9.64 112.698 -179.434 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -58.0 -59.36 5.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.577 -0.283 . . . . 11.12 111.428 -179.493 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 8.6 p -71.49 -30.19 38.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.632 -0.258 . . . . 10.04 111.072 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.81 -44.36 96.98 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.934 0.397 . . . . 8.26 110.563 179.32 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 46.2 ttm -63.06 -35.83 81.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.98 -0.555 . . . . 7.93 110.073 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -64.88 -48.39 74.41 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.851 -0.613 . . . . 9.48 109.983 179.42 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 77.9 m -57.63 -44.39 85.52 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.515 -0.766 . . . . 8.11 111.156 179.441 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 98.1 mt -62.51 -42.26 95.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.261 -0.427 . . . . 6.13 110.754 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 55' ' ' SER . . . . . 0.519 ' HA ' ' CE1' ' B' ' 60' ' ' PHE . 19.9 m -60.59 -51.26 70.16 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.009 -0.541 . . . . 7.39 111.794 -179.546 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -68.61 -28.83 67.26 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.343 0.498 . . . . 8.81 112.343 -179.519 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.2 -41.71 99.2 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.497 -0.319 . . . . 7.38 111.368 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 58' ' ' PHE . . . . . 0.419 ' HB2' ' HD1' ' B' ' 60' ' ' PHE . 91.5 m-85 -90.26 -6.63 54.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.235 0.541 . . . . 8.09 110.817 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 73.77 42.22 39.59 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.794 -0.639 . . . . 9.43 113.379 179.39 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 60' ' ' PHE . . . . . 0.519 ' CE1' ' HA ' ' B' ' 55' ' ' SER . 16.4 p90 -135.74 153.8 51.45 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.776 0.288 . . . . 8.7 110.391 179.276 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -88.27 135.72 33.31 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.983 0.421 . . . . 11.16 111.019 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 62' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' B' ' 62' ' ' ARG . 21.3 ttp180 -59.35 -37.78 78.72 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.813 -0.63 . . . . 10.74 111.116 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.82 0.64 12.58 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 112.234 0.457 . . . . 11.8 112.234 -179.443 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -112.56 17.56 19.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.853 0.358 . . . . 10.53 111.058 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 5.4 p -57.19 -44.86 84.29 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 N-CA-C 112.517 0.562 . . . . 9.11 112.517 -179.52 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 1.2 m -68.1 -25.19 65.19 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.596 0.221 . . . . 10.71 111.596 -179.41 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -65.24 -36.06 92.36 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.645 -0.788 . . . . 11.05 111.424 179.463 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 48.1 mt -74.89 -47.36 37.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 109.901 -0.407 . . . . 9.74 109.901 179.431 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 71.4 mt -61.45 -38.79 88.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.75 -0.659 . . . . 9.17 111.394 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -70.14 -25.85 75.06 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 121.009 -0.615 . . . . 11.56 112.729 -179.653 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 13.5 ttmt -84.37 -45.22 12.98 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.225 0.536 . . . . 12.46 110.084 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 18.5 m -77.33 -177.13 4.47 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.708 -0.678 . . . . 9.82 111.96 -179.496 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -82.36 -21.47 35.91 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.611 -0.722 . . . . 10.24 110.818 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -79.3 74.22 5.9 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.769 -0.65 . . . . 7.68 111.448 -179.343 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 75' ' ' LYS . . . . . 0.875 ' HD3' ' HB3' ' A' ' 90' ' ' PRO . 0.7 OUTLIER -124.81 133.9 52.95 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.269 -0.423 . . . . 11.56 110.287 179.265 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 72.32 21.29 79.41 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.693 -0.765 . . . . 8.65 111.633 -179.57 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 21.8 mm-40 -136.28 120.13 17.43 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.046 -0.724 . . . . 7.58 109.046 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 45.0 m80 -84.51 161.43 20.25 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.171 -0.677 . . . . 7.9 109.171 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.469 HD11 HD11 ' A' ' 79' ' ' LEU . 23.1 tp -59.94 -34.06 72.74 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.35 0.595 . . . . 4.14 110.211 179.451 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.67 -29.95 68.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.455 -0.793 . . . . 5.79 111.023 179.642 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -75.12 -49.23 20.26 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 116.13 -0.486 . . . . 6.75 110.352 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 82.0 mt -60.3 -45.28 96.58 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 CA-C-N 115.846 -0.615 . . . . 4.76 110.895 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 6.9 mp -67.8 -20.28 65.18 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.078 -0.51 . . . . 5.48 111.644 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -78.74 -43.0 26.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.916 0.388 . . . . 7.63 110.253 179.368 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.02 -31.71 70.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.79 -0.641 . . . . 6.84 110.842 179.555 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.12 97.13 0.17 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.02 -0.537 . . . . 6.55 110.372 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 2.0 m -107.41 102.15 11.45 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.959 -0.564 . . . . 8.4 110.579 -179.466 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 28.2 mmm-85 -119.63 127.14 52.65 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.76 -0.655 . . . . 10.35 109.945 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 61.2 t -101.82 118.48 59.41 Favored Pre-proline 0 C--N 1.319 -0.732 0 CA-C-N 116.221 -0.445 . . . . 11.96 109.809 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_exo . . . . . 0 C--O 1.236 0.394 0 C-N-CA 122.582 2.188 . . . . 13.1 111.21 179.311 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 21.4 t . . . . . 0 N--CA 1.455 -0.202 0 CA-C-O 121.077 0.465 . . . . 9.95 109.973 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 21' ' ' HIS . . . . . . . . . . . . . 17.7 t60 -82.41 109.2 16.44 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.745 -0.662 . . . . 9.34 110.813 -179.421 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 22' ' ' LEU . . . . . . . . . . . . . 63.5 mt -107.64 144.62 34.43 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.415 -0.357 . . . . 6.88 111.105 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 23' ' ' THR . . . . . 0.512 ' HB ' ' HA ' ' C' ' 89' ' ' THR . 2.5 m -108.54 117.87 35.31 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.89 -0.595 . . . . 8.91 109.815 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 24' ' ' LEU . . . . . 0.481 HD13 HD21 ' C' ' 51' ' ' LEU . 60.7 mt -101.68 118.21 36.47 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.592 0.234 . . . . 8.66 110.7 -179.685 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 17.9 tptm -130.65 124.21 31.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.92 0.391 . . . . 13.38 111.565 -179.355 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 26' ' ' LYS . . . . . 0.65 ' HD3' ' CE2' ' C' ' 32' ' ' PHE . 16.7 tttp -101.21 116.7 33.42 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.957 -0.757 . . . . 14.09 108.957 178.758 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 27' ' ' ILE . . . . . . . . . . . . . 44.3 pt -82.08 -8.36 11.29 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 N-CA-C 113.106 0.78 . . . . 14.88 113.106 -178.614 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 28' ' ' GLN . . . . . 0.671 HE22 ' HA ' ' C' ' 93' ' ' MET . 0.9 OUTLIER -107.9 153.0 23.67 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.349 -0.611 . . . . 15.23 109.349 179.139 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.88 132.92 92.05 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-O 120.865 0.364 . . . . 18.5 111.934 -179.433 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 30' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -83.84 131.39 17.11 Favored 'Cis proline' 0 CA--C 1.531 0.345 0 C-N-CA 123.084 -1.632 . . . . 17.48 111.406 -1.113 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 51.8 mttt -75.69 110.38 10.06 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.056 0.455 . . . . 17.53 111.082 -179.619 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 32' ' ' PHE . . . . . 0.65 ' CE2' ' HD3' ' C' ' 26' ' ' LYS . 40.1 p90 -124.47 163.37 21.98 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.04 -0.527 . . . . 13.5 110.673 179.238 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 33' ' ' SER . . . . . . . . . . . . . 15.6 m -148.1 119.4 7.83 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.395 -0.366 . . . . 12.36 110.38 179.376 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 9.4 pt -137.45 158.51 34.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.266 -0.425 . . . . 10.72 110.692 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 35' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -129.48 147.32 51.28 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.299 -0.409 . . . . 10.54 110.07 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 36' ' ' HIS . . . . . . . . . . . . . 76.4 t60 -158.1 150.71 22.42 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.304 -0.407 . . . . 9.85 110.757 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -94.48 124.96 38.83 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.078 -0.51 . . . . 9.77 109.998 179.247 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 38' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -113.64 -179.29 3.6 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 116.264 -0.425 . . . . 9.82 110.346 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.46 152.91 44.27 Favored Pre-proline 0 C--N 1.326 -0.43 0 N-CA-C 109.355 -0.609 . . . . 11.97 109.355 179.32 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -63.35 -17.21 58.99 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.402 2.068 . . . . 12.89 112.186 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.4 -14.56 45.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.96 -0.564 . . . . 14.42 110.446 179.268 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -79.08 130.72 35.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.975 -0.557 . . . . 11.77 109.635 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 18.7 p -92.4 178.45 5.83 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.434 -0.348 . . . . 11.4 110.283 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 44' ' ' ILE . . . . . 0.724 ' HB ' ' HA ' ' C' ' 74' ' ' ASP . 48.2 mm -60.5 -28.27 42.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.279 0.561 . . . . 7.86 110.004 179.486 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 43.9 tp -62.69 -37.48 86.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.516 -0.766 . . . . 12.88 110.524 179.347 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 46' ' ' GLN . . . . . 0.503 ' HA ' ' OE1' ' C' ' 49' ' ' GLN . 1.5 mp0 -63.13 -37.56 87.69 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.292 -0.413 . . . . 12.18 110.998 -179.762 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 55.2 mt -63.19 -42.19 95.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 109.46 -0.57 . . . . 8.04 109.46 179.152 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -64.95 -44.45 89.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.47 -0.786 . . . . 10.51 110.419 179.427 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 49' ' ' GLN . . . . . 0.503 ' OE1' ' HA ' ' C' ' 46' ' ' GLN . 85.6 mt-30 -59.52 -36.15 75.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.937 -0.574 . . . . 13.94 110.533 179.67 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 50' ' ' HIS . . . . . 0.451 ' O ' ' HG2' ' C' ' 54' ' ' GLU . 1.8 t60 -69.2 -38.24 78.52 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.731 -0.668 . . . . 11.16 111.225 -179.69 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 51' ' ' LEU . . . . . 0.481 HD21 HD13 ' C' ' 24' ' ' LEU . 65.9 mt -62.45 -32.34 73.19 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.279 -0.419 . . . . 12.37 111.757 -179.737 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 52' ' ' ILE . . . . . . . . . . . . . 60.7 mt -65.69 -42.43 92.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 120.948 0.404 . . . . 15.35 110.488 179.273 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.89 -16.18 62.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.062 -0.517 . . . . 15.02 111.167 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 54' ' ' GLU . . . . . 0.451 ' HG2' ' O ' ' C' ' 50' ' ' HIS . 72.3 mm-40 -95.02 10.06 37.11 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.061 -0.518 . . . . 14.38 110.126 179.28 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 56.17 43.63 26.42 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.634 -0.712 . . . . 18.85 111.349 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 33.4 mmtm -107.44 -28.23 9.95 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.184 -0.462 . . . . 14.47 111.667 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 57' ' ' ALA . . . . . 0.464 ' HB2' HD13 ' C' ' 94' ' ' ILE . . . -141.4 166.95 23.34 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.226 -0.443 . . . . 15.28 110.247 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 58' ' ' SER . . . . . . . . . . . . . 2.5 t -103.64 -39.78 6.57 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.4 -0.364 . . . . 17.75 110.544 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 59' ' ' HIS . . . . . . . . . . . . . 86.5 m-70 -132.58 163.93 27.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.911 0.386 . . . . 19.22 111.957 -179.57 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 39.4 mm -69.23 -36.88 74.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.644 -0.707 . . . . 13.8 111.477 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 1.7 m -65.28 -23.49 67.05 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 113.053 0.761 . . . . 14.67 113.053 -178.783 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -77.76 -22.27 50.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.299 0.571 . . . . 16.71 111.188 -179.367 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 63' ' ' ILE . . . . . . . . . . . . . 33.4 mt -87.23 99.36 8.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 112.866 0.691 . . . . 10.79 112.866 -178.221 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 64' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -103.79 108.09 19.25 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.749 -0.834 . . . . 9.73 108.749 178.356 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 65' ' ' LEU . . . . . 0.583 HD12 HG23 ' C' ' 44' ' ' ILE . 76.1 mt -93.17 142.7 27.01 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.675 0.274 . . . . 5.89 111.626 -179.016 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 66' ' ' LEU . . . . . 0.905 HD21 HG11 ' A' ' 49' ' ' VAL . 1.7 mp -133.93 166.03 23.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.142 -0.481 . . . . 7.57 110.819 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 22.5 tp -140.68 66.35 1.38 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.798 -0.637 . . . . 7.44 109.351 179.113 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.29 87.4 0.1 Allowed 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.489 -0.778 . . . . 12.88 112.032 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 84.56 -58.18 5.0 Favored Glycine 0 CA--C 1.519 0.302 0 C-N-CA 120.629 -0.796 . . . . 8.93 113.109 179.526 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 70' ' ' LYS . . . . . 0.708 ' HE3' ' HA ' ' C' ' 70' ' ' LYS . 0.1 OUTLIER -80.52 142.24 34.36 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.822 0.344 . . . . 9.44 111.467 -179.523 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 71' ' ' VAL . . . . . 0.66 ' HA ' ' HG ' ' C' ' 66' ' ' LEU . 40.1 t -90.7 143.57 10.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.057 -0.52 . . . . 7.05 110.175 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 86.7 mt -94.51 125.45 39.16 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.956 0.407 . . . . 5.9 110.434 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 73' ' ' HIS . . . . . . . . . . . . . 21.7 m-70 -94.57 147.45 23.27 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.151 -0.477 . . . . 8.93 111.058 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 74' ' ' ASP . . . . . 0.724 ' HA ' ' HB ' ' C' ' 44' ' ' ILE . 3.3 m-20 -52.13 -44.62 64.6 Favored 'General case' 0 C--O 1.236 0.366 0 O-C-N 123.721 0.638 . . . . 9.91 112.597 -179.094 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 75' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -78.22 67.89 4.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.118 0.485 . . . . 13.36 111.619 -179.393 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 76' ' ' LEU . . . . . . . . . . . . . 21.4 tp -155.56 148.57 24.48 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.839 -0.619 . . . . 9.58 109.493 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -103.61 156.06 18.07 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.733 0.301 . . . . 14.32 110.566 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 39.6 mt -62.96 -28.16 69.89 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.122 -0.49 . . . . 9.53 112.299 -179.346 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 79' ' ' SER . . . . . . . . . . . . . 12.3 m -67.99 -20.69 65.05 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.946 0.403 . . . . 12.75 111.797 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 80' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -87.31 -8.05 57.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.127 0.489 . . . . 12.44 110.862 -179.262 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 82.4 mt -81.06 128.88 34.21 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.05 -0.523 . . . . 10.15 109.919 179.443 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 82' ' ' LYS . . . . . . . . . . . . . 42.7 mmtm -81.45 45.26 0.85 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.335 0.588 . . . . 12.59 110.538 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 2.6 m -67.83 118.71 12.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.603 -0.726 . . . . 11.5 110.834 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 84' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -118.82 162.28 31.88 Favored Pre-proline 0 C--N 1.319 -0.758 0 CA-C-N 115.656 -0.702 . . . . 13.96 109.956 -179.455 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 85' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_exo -54.86 -27.14 51.75 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.987 2.458 . . . . 14.91 112.965 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -77.33 -23.72 50.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.702 0.287 . . . . 15.11 111.546 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 87' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -148.05 90.48 1.83 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.25 0.548 . . . . 12.35 111.758 -179.619 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 88' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -114.78 23.97 12.19 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.489 0.661 . . . . 10.32 109.854 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 89' ' ' THR . . . . . 0.512 ' HA ' ' HB ' ' C' ' 23' ' ' THR . 0.2 OUTLIER -104.84 132.64 50.84 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.458 -0.792 . . . . 9.82 110.962 -179.276 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 90' ' ' ILE . . . . . . . . . . . . . 42.2 mm -99.93 128.03 52.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 109.07 -0.715 . . . . 6.59 109.07 179.325 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 91' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.72 106.17 9.37 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.943 0.401 . . . . 8.75 110.628 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 92' ' ' VAL . . . . . 0.516 HG12 HG13 ' C' ' 94' ' ' ILE . 48.8 t -92.63 110.33 22.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 121.102 0.477 . . . . 9.58 110.601 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 93' ' ' MET . . . . . 0.671 ' HA ' HE22 ' C' ' 28' ' ' GLN . 50.7 mmm -109.54 68.2 0.67 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.301 -0.409 . . . . 10.9 110.772 -179.608 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 94' ' ' ILE . . . . . 0.516 ' HB ' ' HD2' ' C' ' 26' ' ' LYS . 81.9 mt -73.53 104.93 2.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 109.755 -0.461 . . . . 13.44 109.755 179.261 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 95' ' ' LYS . . . . . . . . . . . . . 12.2 mmtp . . . . . 0 C--N 1.323 -0.574 0 CA-C-N 115.494 -0.775 . . . . 14.6 109.431 -179.026 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.8 m . . . . . 0 C--O 1.238 0.467 0 N-CA-C 111.673 0.249 . . . . 10.77 111.673 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 60.44 59.74 2.17 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.666 0.746 . . . . 8.07 110.257 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 m -74.88 174.2 9.57 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.796 -1.093 . . . . 10.11 110.683 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.47 ' HB3' ' CE1' ' A' ' 58' ' ' PHE . 4.7 mttm -54.74 -43.82 73.02 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.041 -0.527 . . . . 10.66 112.025 -179.073 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -68.54 -39.05 81.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.614 -0.267 . . . . 11.43 111.617 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -61.16 -45.2 95.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.206 0.527 . . . . 8.91 109.912 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 71.5 mt -70.19 -45.6 75.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.547 -0.751 . . . . 6.35 111.195 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.46 -41.54 73.05 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.446 -0.343 . . . . 7.12 111.873 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.87 -41.01 95.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 7.6 110.934 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.1 mt -69.94 -32.97 71.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.169 -0.469 . . . . 5.59 111.155 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 93.7 mt -68.39 -51.36 48.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.063 -0.517 . . . . 4.33 110.977 179.699 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 31.5 m -64.76 -37.77 81.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.448 -0.342 . . . . 6.96 111.751 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -62.7 -36.99 84.73 Favored 'General case' 0 C--N 1.334 -0.091 0 CA-C-O 121.016 0.436 . . . . 7.34 110.324 179.543 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.401 ' O ' HG13 ' A' ' 33' ' ' ILE . 42.3 t80 -61.87 -43.8 98.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.054 -0.521 . . . . 5.51 110.101 179.312 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -63.96 -41.11 97.67 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.078 -0.51 . . . . 6.35 110.092 179.431 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.9 m -59.17 -45.8 90.05 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.929 -0.578 . . . . 8.01 110.373 179.037 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.629 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 24.1 m -58.03 -45.23 87.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.464 -0.335 . . . . 8.27 110.962 179.523 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 29' ' ' TYR . 70.6 mt -61.12 -48.15 90.32 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 CA-C-N 116.323 -0.399 . . . . 8.37 111.763 -179.513 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 31.5 m -72.02 -27.61 27.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 112.771 0.656 . . . . 9.63 112.771 -179.015 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -76.11 -41.02 51.57 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.753 0.311 . . . . 10.98 111.696 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.629 ' HG2' ' O ' ' A' ' 32' ' ' SER . 26.5 pttt -87.85 6.42 35.5 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.792 0.33 . . . . 11.09 110.6 179.375 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.2 mtpt 49.98 58.28 5.63 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.353 -0.839 . . . . 11.72 112.823 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -104.52 18.73 21.65 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.438 0.637 . . . . 9.58 109.671 179.228 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 11.2 tp -148.06 149.65 15.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.353 -0.839 . . . . 9.5 109.632 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.44 151.69 43.78 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.357 -0.383 . . . . 9.96 110.686 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -58.26 -27.27 63.85 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 112.225 0.454 . . . . 11.9 112.225 -179.658 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -63.91 -21.87 66.66 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.506 -0.315 . . . . 10.3 111.236 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -111.11 -8.38 23.79 Favored Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.858 -0.687 . . . . 8.47 111.387 179.172 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.76 -49.82 69.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.53 0.205 . . . . 8.42 111.299 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -66.93 -31.89 72.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.857 0.361 . . . . 9.73 110.064 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.1 m -65.31 -46.23 81.14 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.963 -0.562 . . . . 7.86 109.951 179.021 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 58.4 mt -68.49 -35.25 77.26 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.691 -0.485 . . . . 6.77 109.691 179.058 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -63.4 -48.41 77.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.594 -0.73 . . . . 9.39 111.054 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.458 HG11 HD21 ' C' ' 66' ' ' LEU . 13.7 p -68.52 -38.58 79.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.497 -0.32 . . . . 9.6 110.855 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.6 -45.63 92.01 Favored 'General case' 0 N--CA 1.457 -0.121 0 N-CA-C 109.924 -0.398 . . . . 7.62 109.924 178.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 30.1 ttm -58.36 -41.42 84.66 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.827 -0.624 . . . . 8.19 109.998 179.322 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -65.43 -45.09 85.23 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.736 -0.666 . . . . 11.12 110.6 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 90.3 m -63.91 -38.79 92.39 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.074 -0.512 . . . . 9.77 111.093 179.196 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 94.2 mt -62.07 -41.39 90.98 Favored 'Isoleucine or valine' 0 C--O 1.232 0.156 0 N-CA-C 109.651 -0.499 . . . . 9.06 109.651 178.792 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.559 ' HA ' ' CE1' ' A' ' 60' ' ' PHE . 19.4 m -58.71 -55.9 29.12 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.498 -0.773 . . . . 10.96 111.563 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -63.61 -29.72 70.93 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.355 0.502 . . . . 12.89 112.355 -179.025 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.31 -42.66 92.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.826 0.346 . . . . 11.68 111.227 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.47 ' CE1' ' HB3' ' A' ' 19' ' ' LYS . 79.5 m-85 -84.21 -10.54 57.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.314 -0.403 . . . . 11.93 111.53 179.76 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 86.87 21.29 50.94 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 121.016 -0.611 . . . . 13.13 113.7 178.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.559 ' CE1' ' HA ' ' A' ' 55' ' ' SER . 18.9 p90 -122.11 159.14 27.75 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 117.06 0.43 . . . . 12.01 110.693 179.746 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -92.41 141.28 28.7 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.547 -0.297 . . . . 14.85 110.295 179.533 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 62' ' ' ARG . 14.4 ttp180 -55.63 -40.93 72.83 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.065 -0.516 . . . . 11.66 111.314 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -76.39 0.92 17.84 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.449 0.537 . . . . 13.0 112.449 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -100.07 2.03 42.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.732 0.301 . . . . 12.82 110.916 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 9.0 p -58.91 -35.62 57.38 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-O 121.071 0.463 . . . . 10.88 111.077 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.17 -40.57 96.4 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.731 -0.668 . . . . 12.04 110.738 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.56 -41.33 65.94 Favored Glycine 0 N--CA 1.449 -0.483 0 CA-C-N 115.793 -0.639 . . . . 12.77 111.82 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 90.7 mt -63.0 -51.54 70.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 120.68 0.276 . . . . 11.54 110.728 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 52.8 mt -62.38 -30.73 71.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.417 -0.356 . . . . 10.42 111.49 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -67.38 -27.64 73.55 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 121.052 -0.594 . . . . 12.46 113.0 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.413 ' HE2' ' HB3' ' A' ' 71' ' ' LYS . 7.1 ptpt -106.02 5.62 30.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 117.006 0.403 . . . . 14.12 111.491 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 67.3 m -100.21 168.12 10.01 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.003 -0.544 . . . . 10.83 111.81 -179.641 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -69.71 -39.79 76.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.296 -0.865 . . . . 10.68 110.777 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -78.96 41.05 0.42 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.612 -0.722 . . . . 8.37 112.047 -178.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.779 ' HD3' ' HB3' ' B' ' 90' ' ' PRO . 21.4 ptmt -72.23 132.31 43.92 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.363 -0.38 . . . . 12.83 110.104 179.375 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 71.41 26.9 72.41 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.921 -0.657 . . . . 9.82 112.602 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -130.16 154.73 47.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.913 0.387 . . . . 8.93 110.731 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 46.4 m80 -115.57 159.47 21.23 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.048 -0.723 . . . . 8.72 109.048 178.718 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 19.3 tp -59.28 -39.97 84.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.808 0.337 . . . . 4.7 111.265 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.46 -40.88 96.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 5.96 111.037 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -59.36 -48.07 83.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.08 0.467 . . . . 7.82 110.607 -179.704 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 70.2 mt -62.15 -48.53 88.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.632 -0.713 . . . . 5.79 111.383 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.578 HD22 HG12 ' B' ' 22' ' ' ILE . 8.3 mp -64.68 -28.71 69.79 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.085 0.402 . . . . 5.97 112.085 -179.441 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -78.17 -20.11 52.62 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.072 0.463 . . . . 9.2 110.532 179.39 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 9.8 m -94.27 -31.55 14.03 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.09 -0.505 . . . . 7.98 110.629 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.72 103.64 1.14 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.309 0.576 . . . . 7.06 110.961 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 15.3 m -87.05 118.92 26.75 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.733 -0.667 . . . . 9.21 110.181 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.519 ' HD3' ' OE1' ' B' ' 77' ' ' GLN . 1.9 mmp_? -131.52 99.23 4.74 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.281 -0.418 . . . . 9.55 110.623 -179.147 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 38.3 t -99.15 115.92 65.46 Favored Pre-proline 0 C--N 1.327 -0.373 0 N-CA-C 109.838 -0.43 . . . . 12.15 109.838 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_endo -78.14 80.22 3.05 Favored 'Trans proline' 0 C--O 1.235 0.36 0 C-N-CA 122.824 2.35 . . . . 12.82 112.714 -179.421 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -72.84 101.82 3.24 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.833 -0.621 . . . . 14.19 110.799 179.54 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 14.1 m . . . . . 0 C--O 1.25 1.095 0 CA-C-N 115.666 -0.697 . . . . 15.67 110.357 179.848 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 59.2 ttp . . . . . 0 N--CA 1.483 1.182 0 CA-C-O 120.578 0.227 . . . . 11.23 111.428 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 13.2 mmt -80.78 70.35 7.53 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 110.288 -0.264 . . . . 13.11 110.288 -179.621 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 27.2 m 64.76 99.81 0.04 OUTLIER 'General case' 0 CA--C 1.523 -0.092 0 O-C-N 123.801 0.688 . . . . 11.45 109.965 -178.544 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.459 ' HB1' HD11 ' B' ' 22' ' ' ILE . . . -42.98 97.3 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.302 0 O-C-N 123.696 0.623 . . . . 8.27 112.417 -178.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 8.6 m -101.12 173.55 6.41 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.638 -0.71 . . . . 9.28 110.133 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -56.25 -46.17 79.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.428 -0.351 . . . . 8.44 110.917 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -61.48 -50.56 72.26 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.292 0.478 . . . . 9.58 112.292 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.728 ' HG2' ' HB3' ' B' ' 72' ' ' SER . 11.7 mt-10 -57.27 -36.29 70.82 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 112.058 0.392 . . . . 8.61 112.058 -179.32 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.578 HG12 HD22 ' A' ' 83' ' ' LEU . 54.1 mt -85.53 -49.81 15.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 112.571 0.582 . . . . 4.87 112.571 -178.848 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.23 -38.25 73.5 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.182 0.438 . . . . 4.42 112.182 -178.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.75 -44.14 85.91 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 123.238 0.336 . . . . 5.79 110.946 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.554 HD12 HD21 ' A' ' 83' ' ' LEU . 91.6 mt -72.19 -35.16 68.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.233 -0.439 . . . . 4.52 111.274 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 90.3 mt -60.79 -54.17 39.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.438 . . . . 4.37 110.649 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 30.9 m -68.88 -32.73 55.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.358 -0.383 . . . . 6.25 111.055 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -62.13 -43.55 98.58 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 116.271 -0.422 . . . . 6.91 110.148 179.231 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' TYR . . . . . 0.452 ' O ' HG13 ' B' ' 33' ' ' ILE . 49.0 t80 -59.03 -50.08 75.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.745 -0.662 . . . . 7.07 110.477 179.764 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -62.68 -41.15 98.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 8.36 111.179 -179.66 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 35.1 m -63.74 -35.59 81.09 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.234 -0.439 . . . . 9.5 110.734 179.537 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' SER . . . . . 0.537 ' HA ' ' HG2' ' B' ' 35' ' ' GLU . 14.9 m -75.33 -14.81 60.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.221 0.534 . . . . 9.77 110.964 179.713 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.822 HG23 ' HB3' ' B' ' 38' ' ' GLU . 79.2 mt -82.91 -45.77 19.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.055 -0.521 . . . . 11.09 110.114 179.254 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 18.9 m -73.12 -36.08 49.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 113.022 0.749 . . . . 12.38 113.022 -179.149 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.537 ' HG2' ' HA ' ' B' ' 32' ' ' SER . 8.6 pt-20 -58.58 -36.13 73.5 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 112.656 0.613 . . . . 13.19 112.656 -178.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 25.8 pttm -106.95 13.14 27.98 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.766 0.284 . . . . 13.7 111.766 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 20.2 ttmm 50.77 64.12 1.95 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.555 0.693 . . . . 15.86 112.043 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' GLU . . . . . 0.822 ' HB3' HG23 ' B' ' 33' ' ' ILE . 85.2 tt0 -90.14 -23.75 21.26 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.709 -0.678 . . . . 12.56 110.129 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 15.1 tt -110.46 167.84 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.583 -0.735 . . . . 13.67 110.317 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -77.1 166.96 22.58 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.935 0.398 . . . . 15.14 111.413 -179.732 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -61.25 -27.62 68.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.882 -0.599 . . . . 16.66 112.501 -179.316 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.38 -59.18 2.86 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.395 -0.366 . . . . 15.52 110.956 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.27 -27.45 60.4 Favored Glycine 0 CA--C 1.518 0.269 0 CA-C-N 116.056 -0.52 . . . . 13.17 112.822 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.85 -36.46 83.33 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.978 0.418 . . . . 12.42 110.267 179.297 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.25 -40.8 77.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.826 -0.624 . . . . 13.38 109.863 179.621 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 46' ' ' SER . . . . . 0.479 ' HA ' HD12 ' C' ' 27' ' ' ILE . 0.8 OUTLIER -63.45 -47.38 82.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.693 -0.685 . . . . 11.72 110.253 179.612 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 33.1 mt -67.24 -29.29 68.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 9.64 111.14 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -55.72 -55.0 37.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.824 -0.625 . . . . 11.12 110.672 179.615 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 10.9 p -76.13 -30.48 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 10.04 111.437 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.37 -41.2 84.24 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.918 0.39 . . . . 8.26 110.441 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 61.7 mtm -62.78 -40.37 97.1 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.94 -0.573 . . . . 7.93 110.503 179.332 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.52 -42.65 91.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.913 -0.585 . . . . 9.48 110.412 179.612 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 92.9 m -59.95 -45.36 92.89 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.048 -0.524 . . . . 8.11 111.151 179.541 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 82.5 mt -63.05 -43.16 98.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.431 -0.35 . . . . 6.13 110.314 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 55' ' ' SER . . . . . 0.525 ' HA ' ' CE1' ' B' ' 60' ' ' PHE . 17.5 m -60.85 -52.8 63.52 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.004 -0.544 . . . . 7.39 111.999 -179.605 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.84 -31.66 72.42 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 112.422 0.527 . . . . 8.81 112.422 -179.06 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.12 -41.93 73.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.717 0.294 . . . . 7.38 110.93 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -76.25 -35.48 58.95 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.251 -0.431 . . . . 8.09 111.405 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 111.21 25.92 4.83 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.556 -0.83 . . . . 9.43 113.561 179.19 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 60' ' ' PHE . . . . . 0.525 ' CE1' ' HA ' ' B' ' 55' ' ' SER . 23.1 p90 -131.9 178.59 6.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 122.716 -0.285 . . . . 8.7 110.692 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 61' ' ' GLU . . . . . 0.474 ' HG3' ' H ' ' B' ' 63' ' ' GLU . 8.1 tp10 -122.66 150.41 42.72 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 110.088 -0.338 . . . . 11.16 110.088 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 24.5 ttp180 -63.65 -25.49 68.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.062 -0.517 . . . . 10.74 111.229 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 63' ' ' GLU . . . . . 0.474 ' H ' ' HG3' ' B' ' 61' ' ' GLU . 9.5 tp10 -79.79 -6.19 56.83 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.027 -0.533 . . . . 11.8 111.11 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -105.81 10.31 32.64 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.76 0.314 . . . . 10.53 111.351 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 12.7 p -61.66 -32.79 54.78 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 CA-C-O 120.789 0.328 . . . . 9.11 111.726 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.46 -35.13 75.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.007 0.432 . . . . 10.71 111.015 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -72.2 -29.85 65.92 Favored Glycine 0 N--CA 1.451 -0.341 0 CA-C-N 115.91 -0.586 . . . . 11.05 111.873 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 58.2 mt -79.36 -52.25 15.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 120.51 0.195 . . . . 9.74 110.721 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 32.0 mt -57.51 -40.53 78.91 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 112.215 0.45 . . . . 9.17 112.215 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -72.93 -22.02 79.41 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.67 -0.776 . . . . 11.56 112.5 -179.685 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 2.8 ttmp? -87.29 -59.01 2.37 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.852 0.358 . . . . 12.46 110.627 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 72' ' ' SER . . . . . 0.728 ' HB3' ' HG2' ' B' ' 21' ' ' GLU . 14.4 m -62.09 165.37 5.73 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.73 -0.668 . . . . 9.82 111.282 -179.403 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -83.69 54.17 2.78 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.48 0.548 . . . . 10.24 112.48 -178.425 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.515 ' HE2' ' HB3' ' B' ' 21' ' ' GLU . 45.4 m-85 -145.12 22.84 1.54 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.744 -0.662 . . . . 7.68 109.812 178.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 75' ' ' LYS . . . . . 0.579 ' H ' ' HD2' ' B' ' 75' ' ' LYS . 0.0 OUTLIER -66.38 127.81 33.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.355 -0.839 . . . . 11.56 111.747 -179.381 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 74.71 16.69 80.15 Favored Glycine 0 N--CA 1.451 -0.337 0 CA-C-N 115.676 -0.693 . . . . 8.65 113.081 179.443 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 77' ' ' GLN . . . . . 0.519 ' OE1' ' HD3' ' A' ' 88' ' ' ARG . 14.0 mm-40 -120.84 160.38 23.53 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 122.694 -0.298 . . . . 7.58 110.478 -179.371 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 78' ' ' HIS . . . . . 0.681 ' HB2' ' OD1' ' B' ' 81' ' ' ASP . 44.8 m-70 -126.48 149.25 49.45 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.784 -0.45 . . . . 7.9 109.784 179.199 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 20.1 tp -56.55 -33.45 66.14 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.242 -0.435 . . . . 4.14 112.059 -179.373 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.73 -56.5 17.0 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.07 0.396 . . . . 5.79 112.07 -179.467 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 81' ' ' ASP . . . . . 0.681 ' OD1' ' HB2' ' B' ' 78' ' ' HIS . 0.3 OUTLIER -67.3 -41.87 84.69 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.718 0.636 . . . . 6.75 112.718 -179.277 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 93.9 mt -56.22 -46.91 81.5 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 CA-C-O 120.897 0.38 . . . . 4.76 111.502 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 5.1 mp -67.17 -34.41 77.48 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.142 -0.481 . . . . 5.48 111.308 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -70.64 -37.81 73.8 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.271 -0.422 . . . . 7.63 111.861 -179.53 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.4 p -66.18 -22.23 66.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.946 0.403 . . . . 6.84 111.525 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -75.88 128.82 35.92 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 109.445 -0.576 . . . . 6.55 109.445 179.219 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 3.4 m -101.95 101.45 11.86 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.006 0.431 . . . . 8.4 110.508 -179.65 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 9.8 mmm180 -96.24 119.13 34.17 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.084 0.468 . . . . 10.35 111.271 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 89' ' ' VAL . . . . . 0.426 ' HA ' ' HD3' ' B' ' 90' ' ' PRO . 3.2 t -94.52 120.95 64.36 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 115.737 -0.665 . . . . 11.96 109.612 179.8 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 90' ' ' PRO . . . . . 0.779 ' HB3' ' HD3' ' A' ' 75' ' ' LYS . 7.0 Cg_exo . . . . . 0 N--CA 1.46 -0.484 0 C-N-CA 122.747 2.298 . . . . 13.1 111.791 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 45.1 t . . . . . 0 CA--C 1.528 0.127 0 CA-C-O 121.358 0.599 . . . . 9.95 110.1 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 21' ' ' HIS . . . . . . . . . . . . . 17.7 t60 -78.03 111.57 14.05 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.574 -0.739 . . . . 9.34 110.543 -179.536 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 22' ' ' LEU . . . . . . . . . . . . . 95.8 mt -118.69 143.88 46.56 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.465 -0.334 . . . . 6.88 111.228 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 23' ' ' THR . . . . . 0.408 ' HA ' ' HG2' ' C' ' 35' ' ' GLU . 5.4 m -102.59 120.05 39.87 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.696 -0.684 . . . . 8.91 109.507 179.039 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 24' ' ' LEU . . . . . . . . . . . . . 35.7 mt -103.45 115.01 29.74 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 110.089 -0.337 . . . . 8.66 110.089 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 63.4 tttt -124.17 128.09 48.72 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.715 0.293 . . . . 13.38 111.024 -179.428 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 26' ' ' LYS . . . . . 0.629 ' HE3' ' CE2' ' C' ' 32' ' ' PHE . 5.4 ttpp -90.5 128.1 36.43 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.262 -0.426 . . . . 14.09 110.142 178.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 27' ' ' ILE . . . . . 0.479 HD12 ' HA ' ' B' ' 46' ' ' SER . 40.4 pt -80.71 -23.66 11.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 112.923 0.712 . . . . 14.88 112.923 -178.861 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 28' ' ' GLN . . . . . 0.569 ' O ' ' HG2' ' C' ' 26' ' ' LYS . 28.7 tt0 -104.56 143.12 33.49 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.653 0.263 . . . . 15.23 110.886 -179.605 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 29' ' ' ALA . . . . . 0.481 ' HA ' ' C ' ' C' ' 30' ' ' PRO . . . -64.38 140.63 98.01 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 116.132 -0.485 . . . . 18.5 110.871 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 30' ' ' PRO . . . . . 0.481 ' C ' ' HA ' ' C' ' 29' ' ' ALA . 52.1 Cg_endo -70.2 133.81 27.83 Favored 'Cis proline' 0 C--N 1.345 0.347 0 C-N-CA 123.173 -1.595 . . . . 17.48 112.1 -0.432 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 34.0 mtmt -91.13 137.9 32.01 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.326 -0.397 . . . . 17.53 110.613 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 32' ' ' PHE . . . . . 0.629 ' CE2' ' HE3' ' C' ' 26' ' ' LYS . 24.0 p90 -155.05 159.45 40.29 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.036 -0.529 . . . . 13.5 110.21 179.608 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 33' ' ' SER . . . . . . . . . . . . . 6.8 m -134.62 101.79 5.07 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.173 -0.467 . . . . 12.36 109.972 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 36.1 pt -110.95 156.67 12.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.455 -0.339 . . . . 10.72 110.477 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 35' ' ' GLU . . . . . 0.408 ' HG2' ' HA ' ' C' ' 23' ' ' THR . 45.7 mt-10 -130.59 149.85 52.06 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.824 0.345 . . . . 10.54 110.967 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 36' ' ' HIS . . . . . . . . . . . . . 31.1 t60 -157.88 141.04 15.16 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.782 -0.645 . . . . 9.85 110.0 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -86.14 99.25 11.38 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.088 -0.505 . . . . 9.77 109.868 179.331 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 38' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -88.09 -172.71 3.93 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.206 -0.452 . . . . 9.82 110.451 -179.446 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.46 147.19 41.35 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 116.236 -0.438 . . . . 11.97 110.168 179.745 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -68.38 -15.19 41.75 Favored 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 122.456 2.104 . . . . 12.89 112.486 -179.282 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 41' ' ' SER . . . . . . . . . . . . . 1.4 m -91.59 4.19 53.23 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.252 -0.431 . . . . 14.42 111.025 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 42' ' ' ASP . . . . . 0.4 ' O ' ' HG ' ' C' ' 78' ' ' LEU . 85.7 m-20 -93.23 157.87 16.04 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.037 0.446 . . . . 11.77 111.088 -179.637 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 43' ' ' THR . . . . . 0.463 ' HA ' ' HA ' ' C' ' 77' ' ' PHE . 0.3 OUTLIER -103.09 167.18 9.99 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.857 -0.61 . . . . 11.4 109.668 179.697 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 44' ' ' ILE . . . . . 0.742 HG23 HD12 ' C' ' 65' ' ' LEU . 11.6 mm -55.89 -31.88 31.35 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 CA-C-O 121.193 0.52 . . . . 7.86 110.497 179.312 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 59.9 tp -56.99 -31.99 65.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.551 -0.75 . . . . 12.88 111.593 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 46' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -64.12 -38.33 90.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.766 0.317 . . . . 12.18 111.182 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 64.9 mt -66.05 -41.85 90.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 108.967 -0.753 . . . . 8.04 108.967 178.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 48' ' ' LYS . . . . . 0.619 ' HD3' HG23 ' C' ' 60' ' ' ILE . 77.5 mttt -61.81 -44.46 96.81 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.358 -0.837 . . . . 10.51 110.088 178.825 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -61.45 -40.64 95.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.753 -0.658 . . . . 13.94 111.09 179.587 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 44.7 t60 -65.94 -34.87 79.11 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.367 -0.379 . . . . 11.16 110.935 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 89.4 mt -64.19 -36.4 83.95 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.333 -0.394 . . . . 12.37 110.663 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 52' ' ' ILE . . . . . . . . . . . . . 49.8 mt -74.61 -43.18 48.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.232 -0.44 . . . . 15.35 110.68 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 12.4 p -64.94 -28.46 69.54 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.908 0.385 . . . . 15.02 110.952 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 54' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -89.82 10.25 24.32 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.326 -0.397 . . . . 14.38 110.776 178.685 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 55.3 39.22 31.24 Favored 'General case' 0 C--O 1.233 0.215 0 N-CA-C 113.234 0.827 . . . . 18.85 113.234 179.441 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 56' ' ' LYS . . . . . 0.433 ' HB3' ' CZ ' ' C' ' 32' ' ' PHE . 48.2 mmtm -98.02 -23.81 15.62 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.169 0.509 . . . . 14.47 109.766 179.202 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -138.73 179.61 6.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.49 -0.777 . . . . 15.28 109.482 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 58' ' ' SER . . . . . . . . . . . . . 3.7 m -117.53 -49.74 2.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.831 0.348 . . . . 17.75 111.725 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 59' ' ' HIS . . . . . 0.589 ' HB2' ' HG3' ' C' ' 62' ' ' GLU . 97.9 m-70 -121.67 151.05 40.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.958 0.408 . . . . 19.22 111.609 -179.682 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 60' ' ' ILE . . . . . 0.619 HG23 ' HD3' ' C' ' 48' ' ' LYS . 18.1 mm -64.0 -33.16 60.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.614 -0.721 . . . . 13.8 111.265 -179.719 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.94 -29.28 67.5 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.741 0.645 . . . . 14.67 112.741 -178.748 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 62' ' ' GLU . . . . . 0.589 ' HG3' ' HB2' ' C' ' 59' ' ' HIS . 28.5 mt-10 -71.42 -27.62 63.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.034 0.445 . . . . 16.71 111.312 -179.193 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 63' ' ' ILE . . . . . . . . . . . . . 32.3 mt -76.84 115.5 18.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.521 -0.763 . . . . 10.79 112.211 -178.369 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 64' ' ' LYS . . . . . 0.616 ' HB3' ' HB3' ' C' ' 93' ' ' MET . 35.8 tptt -116.78 106.36 13.39 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.535 -0.913 . . . . 9.73 108.535 178.597 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 65' ' ' LEU . . . . . 0.742 HD12 HG23 ' C' ' 44' ' ' ILE . 77.6 mt -92.84 144.07 25.64 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.752 0.311 . . . . 5.89 111.222 -179.407 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 66' ' ' LEU . . . . . 0.752 ' HB2' ' HB ' ' C' ' 91' ' ' THR . 9.6 mt -139.32 146.12 39.92 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.138 -0.483 . . . . 7.57 111.279 -179.434 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 67' ' ' LEU . . . . . 0.489 ' HB3' HD21 ' C' ' 72' ' ' LEU . 55.1 tp -147.48 111.21 5.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.056 -0.52 . . . . 7.44 109.934 178.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 13.8 mmmt 59.15 33.59 22.86 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.05 -0.523 . . . . 12.88 111.124 -179.484 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 93.58 -35.26 4.21 Favored Glycine 0 N--CA 1.449 -0.453 0 CA-C-N 115.713 -0.676 . . . . 8.93 112.59 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 70' ' ' LYS . . . . . 0.414 ' HE3' ' HA ' ' C' ' 70' ' ' LYS . 0.0 OUTLIER -67.09 126.16 28.31 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.846 0.355 . . . . 9.44 110.613 -179.715 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 71' ' ' VAL . . . . . 0.627 ' HA ' HD23 ' C' ' 66' ' ' LEU . 15.9 t -75.59 125.08 34.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.919 -0.582 . . . . 7.05 109.806 179.28 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 72' ' ' LEU . . . . . 0.489 HD21 ' HB3' ' C' ' 67' ' ' LEU . 28.8 mt -88.4 103.09 15.52 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.156 -0.474 . . . . 5.9 109.86 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 73' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -84.79 162.1 19.71 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.951 -0.568 . . . . 8.93 111.952 -179.302 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -55.95 -30.08 61.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.59 -0.732 . . . . 9.91 112.949 -178.613 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 75' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -91.08 23.41 3.26 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 113.187 0.81 . . . . 13.36 113.187 -177.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 76' ' ' LEU . . . . . . . . . . . . . 48.3 tp -112.43 135.72 52.78 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 122.133 -0.354 . . . . 9.58 110.483 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 77' ' ' PHE . . . . . 0.463 ' HA ' ' HA ' ' C' ' 43' ' ' THR . 21.1 m-85 -86.22 153.63 21.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.931 0.396 . . . . 14.32 111.679 -179.776 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 78' ' ' LEU . . . . . 0.603 ' HA ' ' HG ' ' C' ' 81' ' ' LEU . 36.1 mt -70.3 -20.58 63.01 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.088 -0.506 . . . . 9.53 111.218 -179.733 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 79' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.21 -19.82 63.97 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.14 -0.482 . . . . 12.75 111.885 -179.501 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 80' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -93.08 -14.0 27.86 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.825 0.345 . . . . 12.44 111.063 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 81' ' ' LEU . . . . . 0.603 ' HG ' ' HA ' ' C' ' 78' ' ' LEU . 36.0 mt -57.86 127.34 31.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.108 0.48 . . . . 10.15 111.76 -179.182 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 82' ' ' LYS . . . . . 0.468 ' H ' ' HG2' ' C' ' 82' ' ' LYS . 3.8 mmtt -83.21 57.45 3.97 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.749 -0.66 . . . . 12.59 109.715 179.738 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 1.6 m -89.31 101.64 12.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.397 0.618 . . . . 11.5 112.105 -178.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 84' ' ' THR . . . . . . . . . . . . . 33.3 p -99.28 166.44 12.96 Favored Pre-proline 0 C--N 1.321 -0.639 0 N-CA-C 108.388 -0.967 . . . . 13.96 108.388 179.205 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 85' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_exo -58.99 -24.02 71.24 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.231 1.954 . . . . 14.91 111.132 178.664 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -78.67 -34.11 46.5 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.841 -0.618 . . . . 15.11 111.023 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 87' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -134.75 80.85 1.87 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.323 0.583 . . . . 12.35 112.179 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 88' ' ' SER . . . . . . . . . . . . . 3.6 m -105.69 13.45 29.76 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.888 -0.597 . . . . 10.32 110.85 179.597 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 89' ' ' THR . . . . . . . . . . . . . 3.9 m -99.28 119.02 37.23 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.059 0.457 . . . . 9.82 111.603 -179.222 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 90' ' ' ILE . . . . . . . . . . . . . 43.9 mm -88.52 130.11 38.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 108.93 -0.767 . . . . 6.59 108.93 179.084 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 91' ' ' THR . . . . . 0.752 ' HB ' ' HB2' ' C' ' 66' ' ' LEU . 10.5 m -77.97 117.41 19.28 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.401 -0.363 . . . . 8.75 110.874 -179.648 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 92' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' C' ' 26' ' ' LYS . 48.2 t -103.93 111.35 33.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.187 0.517 . . . . 9.58 110.615 179.519 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 93' ' ' MET . . . . . 0.616 ' HB3' ' HB3' ' C' ' 64' ' ' LYS . 4.5 ttt -114.9 141.19 48.27 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.234 -0.654 . . . . 10.9 109.234 179.369 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 94' ' ' ILE . . . . . 0.611 HD12 ' HE2' ' C' ' 26' ' ' LYS . 51.9 mt -130.6 122.17 52.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 120.912 0.386 . . . . 13.44 110.713 179.71 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 95' ' ' LYS . . . . . . . . . . . . . 18.2 mmtp . . . . . 0 C--N 1.324 -0.518 0 CA-C-N 115.907 -0.588 . . . . 14.6 109.925 179.685 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.234 0.244 0 CA-C-O 120.571 0.224 . . . . 10.77 110.994 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 58.0 61.72 2.28 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.349 0.595 . . . . 8.07 110.194 -179.286 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.41 ' HB2' ' HG3' ' A' ' 21' ' ' GLU . 1.0 OUTLIER -65.99 143.69 57.21 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.203 -0.908 . . . . 10.11 110.579 -179.415 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.528 ' HB3' ' HE2' ' A' ' 58' ' ' PHE . 61.8 mttm -57.6 -33.85 68.63 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.094 -0.503 . . . . 10.66 111.666 -179.257 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.4 pm0 -68.94 -35.86 77.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.479 -0.328 . . . . 11.43 111.01 179.146 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.41 ' HG3' ' HB2' ' A' ' 18' ' ' SER . 48.3 mt-10 -65.85 -46.23 79.26 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 109.441 -0.577 . . . . 8.91 109.441 179.422 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 40.6 mt -61.49 -47.21 94.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.325 -0.852 . . . . 6.35 110.078 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.57 -42.09 91.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.072 -0.513 . . . . 7.12 110.812 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.09 -43.38 98.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.991 -0.549 . . . . 7.6 110.591 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 39.5 mt -67.24 -35.48 79.65 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.385 -0.37 . . . . 5.59 110.927 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 92.9 mt -65.82 -51.5 60.89 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 CA-C-N 116.184 -0.462 . . . . 4.33 110.527 179.357 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.2 m -66.27 -33.13 61.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 C-N-CA 121.005 -0.278 . . . . 6.96 111.064 179.7 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -66.65 -36.89 83.64 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.292 -0.632 . . . . 7.34 109.292 178.519 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.45 ' O ' HG13 ' A' ' 33' ' ' ILE . 57.2 t80 -62.28 -49.92 73.74 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.656 -0.702 . . . . 5.51 110.01 178.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -60.53 -40.64 92.23 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.178 -0.465 . . . . 6.35 110.422 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.494 ' O ' ' HG2' ' A' ' 35' ' ' GLU . 43.3 m -63.52 -42.75 98.45 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.803 -0.635 . . . . 8.01 110.456 179.288 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 39.1 m -59.91 -34.35 73.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.099 0.476 . . . . 8.27 110.365 179.421 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.45 HG13 ' O ' ' A' ' 29' ' ' TYR . 79.5 mt -67.81 -48.04 77.19 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 CA-C-N 115.896 -0.593 . . . . 8.37 110.743 179.582 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 35.1 m -72.22 -22.42 20.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 N-CA-C 112.336 0.495 . . . . 9.63 112.336 -179.462 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.494 ' HG2' ' O ' ' A' ' 31' ' ' SER . 31.8 mm-40 -57.65 -52.69 64.38 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.397 0.617 . . . . 10.98 110.288 178.838 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 24.7 pttt -97.48 5.83 49.08 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.726 -0.67 . . . . 11.09 110.631 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 37.9 tttm 55.16 55.91 7.07 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.701 -0.681 . . . . 11.72 111.223 -179.255 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -92.1 36.03 0.98 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.595 -0.73 . . . . 9.58 109.738 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 16.4 tt -162.32 156.1 2.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.443 -0.799 . . . . 9.5 110.088 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.95 152.58 41.33 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.082 -0.508 . . . . 9.96 110.54 179.604 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -56.63 -35.77 68.7 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.185 -0.461 . . . . 11.9 111.845 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -61.52 -44.88 96.26 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 109.835 -0.432 . . . . 10.3 109.835 179.282 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.46 -37.72 58.38 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.85 -0.614 . . . . 8.47 111.65 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.28 -35.61 77.8 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 121.049 0.452 . . . . 8.42 110.213 179.357 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -60.47 -45.01 95.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.797 -0.638 . . . . 9.73 109.763 179.171 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.5 m -65.56 -31.12 72.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.75 -0.659 . . . . 7.86 110.634 178.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 78.3 mt -70.74 -33.45 70.85 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.87 0.367 . . . . 6.77 110.326 179.251 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.7 m-20 -60.17 -34.97 74.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.933 -0.576 . . . . 9.39 111.248 179.65 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.563 HG21 HD13 ' C' ' 66' ' ' LEU . 5.1 p -89.86 -38.73 11.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.403 -0.362 . . . . 9.6 111.119 179.414 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.63 -50.84 71.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.666 -0.243 . . . . 7.62 111.193 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 27.8 ttm -58.39 -37.0 74.4 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.412 0.625 . . . . 8.19 110.364 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -67.67 -42.52 82.02 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.154 -0.93 . . . . 11.12 110.522 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.463 ' HB2' ' HB2' ' B' ' 50' ' ' ALA . 79.4 m -65.52 -37.34 86.47 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.1 -0.5 . . . . 9.77 110.796 179.509 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 84.2 mt -63.05 -41.8 94.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.149 0.5 . . . . 9.06 109.785 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.537 ' HA ' ' CE1' ' A' ' 60' ' ' PHE . 16.6 m -59.2 -53.35 59.28 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.473 -0.785 . . . . 10.96 111.719 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -65.69 -35.95 82.23 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 112.101 0.408 . . . . 12.89 112.101 -179.083 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.52 -36.46 83.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.457 -0.338 . . . . 11.68 111.799 -179.605 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.528 ' HE2' ' HB3' ' A' ' 19' ' ' LYS . 57.8 m-85 -91.86 -2.88 56.65 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.803 0.335 . . . . 11.93 111.866 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.66 30.51 68.5 Favored Glycine 0 CA--C 1.519 0.3 0 C-N-CA 121.161 -0.543 . . . . 13.13 113.618 179.24 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.537 ' CE1' ' HA ' ' A' ' 55' ' ' SER . 7.5 p90 -128.99 145.32 51.27 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.875 0.337 . . . . 12.01 110.206 179.649 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.499 ' HG3' ' HB2' ' A' ' 64' ' ' ALA . 4.4 pt-20 -83.36 144.41 29.68 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.905 0.383 . . . . 14.85 111.412 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 27.0 ttp180 -58.03 -32.93 68.44 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.565 -0.743 . . . . 11.66 111.585 -179.543 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.72 2.21 23.63 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.713 0.634 . . . . 13.0 112.713 -179.239 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.499 ' HB2' ' HG3' ' A' ' 61' ' ' GLU . . . -105.0 3.09 30.23 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.809 0.338 . . . . 12.82 111.301 -179.722 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.3 p -58.53 -39.78 76.58 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 CA-C-N 116.262 -0.426 . . . . 10.88 111.331 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.38 -37.41 86.9 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.108 -0.497 . . . . 12.04 110.822 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -69.29 -45.44 61.04 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.928 -0.653 . . . . 12.77 111.758 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 87.3 mt -61.87 -47.53 92.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.745 0.307 . . . . 11.54 110.621 179.699 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 89.6 mt -63.58 -37.83 88.83 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.46 -0.337 . . . . 10.42 111.217 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -65.15 -31.56 81.12 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 121.092 -0.575 . . . . 12.46 113.261 -179.519 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -96.13 8.36 44.01 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.131 0.419 . . . . 14.12 112.131 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 19.4 m -118.03 170.2 9.04 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.587 -0.278 . . . . 10.83 110.436 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -71.95 -23.54 61.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.887 0.375 . . . . 10.68 111.422 -179.371 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -82.43 39.41 0.6 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.207 -0.451 . . . . 8.37 112.05 -178.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 12.2 ptmt -87.15 120.61 28.61 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.989 0.423 . . . . 12.83 111.009 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 90.17 12.78 61.26 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.971 -0.633 . . . . 9.82 112.168 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -125.71 159.01 33.38 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.852 0.358 . . . . 8.93 110.649 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 4.3 m80 -122.11 158.43 29.3 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.075 -0.713 . . . . 8.72 109.075 179.409 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 20.8 tp -58.19 -31.66 67.51 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.809 0.338 . . . . 4.7 111.518 -179.476 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.31 -58.7 5.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.089 -0.505 . . . . 5.96 111.549 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -60.87 -37.89 83.69 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 112.612 0.597 . . . . 7.82 112.612 -179.371 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.79 -47.86 89.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.887 0.375 . . . . 5.79 110.469 179.303 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.9 mp -72.31 -23.98 61.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 5.97 110.885 179.609 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.413 ' OD1' ' HA ' ' B' ' 16' ' ' SER . 25.4 t30 -71.61 -33.97 69.44 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.202 -0.454 . . . . 9.2 110.272 179.422 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 11.1 m -82.17 -9.19 59.6 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.645 -0.707 . . . . 7.98 110.744 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -69.03 96.8 0.81 Allowed 'General case' 0 C--O 1.237 0.426 0 CA-C-O 121.329 0.585 . . . . 7.06 111.091 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 12.8 m -86.78 108.39 18.69 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.578 -0.737 . . . . 9.21 109.87 179.417 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -125.4 127.35 46.42 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.081 -0.509 . . . . 9.55 109.98 -179.644 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 13.3 t -106.52 116.64 58.73 Favored Pre-proline 0 C--N 1.319 -0.738 0 N-CA-C 109.663 -0.495 . . . . 12.15 109.663 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_exo -71.61 73.48 2.3 Favored 'Trans proline' 0 C--O 1.233 0.256 0 C-N-CA 123.174 2.583 . . . . 12.82 112.195 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -80.07 90.7 5.43 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.026 -0.534 . . . . 14.19 110.929 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 40.4 m . . . . . 0 C--O 1.248 0.987 0 N-CA-C 109.208 -0.664 . . . . 15.67 109.208 179.766 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 14' ' ' MET . . . . . 0.545 ' HB3' ' OE2' ' B' ' 73' ' ' GLU . 50.0 ttp . . . . . 0 N--CA 1.48 1.061 0 CA-C-O 120.641 0.258 . . . . 11.23 110.855 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' MET . . . . . 0.44 ' HG2' ' OE2' ' B' ' 73' ' ' GLU . 94.3 mmm -80.97 53.83 2.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.713 -0.221 . . . . 13.11 110.968 179.666 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 16' ' ' SER . . . . . 0.413 ' HA ' ' OD1' ' A' ' 84' ' ' ASN . 14.7 m 62.95 101.12 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.066 -0.515 . . . . 11.45 111.214 -178.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.61 103.7 0.22 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.043 -0.526 . . . . 8.27 111.286 -179.28 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 1.4 m -78.41 163.52 25.56 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.692 -0.686 . . . . 9.28 110.684 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -59.67 -43.87 93.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.287 -0.415 . . . . 8.44 111.339 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 6.9 pm0 -63.76 -36.19 83.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.288 -0.414 . . . . 9.58 111.295 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -69.64 -44.35 70.8 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.109 -0.496 . . . . 8.61 110.707 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 90.3 mt -65.53 -43.58 94.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.144 -0.48 . . . . 4.87 110.129 179.389 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.0 -38.48 82.72 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.889 -0.596 . . . . 4.42 110.951 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.76 -39.58 89.29 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.346 -0.388 . . . . 5.79 110.678 179.706 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 77.7 mt -71.42 -34.94 70.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 4.52 110.403 179.356 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 97.9 mt -64.61 -51.13 71.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.934 -0.576 . . . . 4.37 110.526 179.411 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 30.6 m -66.78 -31.77 55.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.546 -0.297 . . . . 6.25 110.86 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -64.29 -42.49 96.38 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.56 -0.533 . . . . 6.91 109.56 178.429 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -61.34 -47.96 83.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.572 -0.74 . . . . 7.07 110.332 179.209 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 19.9 m-30 -62.18 -39.13 91.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.276 -0.42 . . . . 8.36 110.894 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 41.3 m -65.98 -33.87 76.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.077 -0.511 . . . . 9.5 110.515 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 33.6 m -70.05 -24.07 63.2 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.099 0.476 . . . . 9.77 110.919 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.753 HG23 ' HB2' ' B' ' 38' ' ' GLU . 91.3 mt -77.23 -46.85 27.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.969 -0.56 . . . . 11.09 110.03 179.528 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 35.5 m -80.33 -2.91 5.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.008 -0.542 . . . . 12.38 111.368 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.02 -41.83 34.46 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.738 -0.665 . . . . 13.19 110.789 179.508 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 10.3 pttm -115.01 8.44 15.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.482 -0.326 . . . . 13.7 111.528 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 21.1 ttmm 60.91 67.14 0.84 Allowed 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.513 -0.767 . . . . 15.86 112.006 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' GLU . . . . . 0.753 ' HB2' HG23 ' B' ' 33' ' ' ILE . 50.7 mt-10 -86.51 -20.74 27.59 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.999 -0.546 . . . . 12.56 110.348 179.203 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 39' ' ' ILE . . . . . 0.49 HG13 ' H ' ' B' ' 40' ' ' SER . 7.9 tp -116.01 169.89 6.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.144 -0.48 . . . . 13.67 110.744 -179.202 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 40' ' ' SER . . . . . 0.49 ' H ' HG13 ' B' ' 39' ' ' ILE . 5.6 p -72.29 168.16 18.91 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.878 0.37 . . . . 15.14 111.378 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.7 -32.14 73.17 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.855 0.687 . . . . 16.66 112.855 -179.271 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 42' ' ' ASP . . . . . 0.523 ' HB3' ' HB2' ' C' ' 29' ' ' ALA . 20.4 p-10 -74.64 -42.07 59.21 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.742 -0.383 . . . . 15.52 110.506 179.236 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.43 -35.6 91.57 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.792 -0.718 . . . . 13.17 111.416 178.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.06 -32.01 73.51 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.813 0.339 . . . . 12.42 110.798 179.45 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -67.5 -49.32 63.99 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.386 -0.598 . . . . 13.38 109.386 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 3.6 m -61.15 -40.56 94.3 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.81 -0.632 . . . . 11.72 110.655 179.111 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 47.1 mt -62.13 -37.33 84.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.247 -0.433 . . . . 9.64 110.758 179.169 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -65.32 -36.64 84.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.072 -0.513 . . . . 11.12 109.845 179.537 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 98.7 t -70.07 -48.63 61.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.048 -0.524 . . . . 10.04 109.719 179.084 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' ALA . . . . . 0.463 ' HB2' ' HB2' ' A' ' 53' ' ' CYS . . . -60.54 -36.23 77.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.993 -0.549 . . . . 8.26 110.923 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 51' ' ' MET . . . . . 0.613 ' SD ' ' HD3' ' B' ' 62' ' ' ARG . 43.9 ttm -55.62 -41.18 73.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.101 -0.5 . . . . 7.93 110.931 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -72.73 -46.04 55.59 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.834 -0.621 . . . . 9.48 110.554 179.481 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 53' ' ' CYS . . . . . 0.427 ' SG ' ' HA2' ' C' ' 69' ' ' GLY . 27.6 m -57.1 -42.74 81.36 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.703 -0.68 . . . . 8.11 111.66 -179.705 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 95.2 mt -66.7 -43.77 89.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.84 0.352 . . . . 6.13 110.668 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 55' ' ' SER . . . . . 0.418 ' HB3' ' O ' ' B' ' 60' ' ' PHE . 49.2 m -58.22 -52.3 66.17 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.989 -0.55 . . . . 7.39 112.167 -179.35 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -67.99 -31.52 71.28 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.237 0.458 . . . . 8.81 112.237 -179.059 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.54 -46.45 85.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.846 0.355 . . . . 7.38 111.422 -179.62 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -81.86 -22.02 37.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 8.09 111.848 -179.552 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.83 56.39 1.52 Allowed Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.704 -0.76 . . . . 9.43 113.141 179.024 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 60' ' ' PHE . . . . . 0.418 ' O ' ' HB3' ' B' ' 55' ' ' SER . 21.3 p90 -161.68 170.29 19.98 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.825 -0.435 . . . . 8.7 109.825 179.074 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -119.39 147.12 44.72 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.766 0.317 . . . . 11.16 110.783 179.139 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 62' ' ' ARG . . . . . 0.613 ' HD3' ' SD ' ' B' ' 51' ' ' MET . 49.8 ttp180 -57.06 -34.95 68.78 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.667 -0.697 . . . . 10.74 111.554 -179.478 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 18.9 mp0 -69.22 -5.14 20.85 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.53 0.567 . . . . 11.8 112.53 -179.143 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -116.0 13.86 15.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.756 0.312 . . . . 10.53 111.204 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 8.1 p -64.93 -31.42 53.82 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 CA-C-N 116.446 -0.343 . . . . 9.11 111.852 -179.551 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 1.7 m -67.19 -32.37 73.4 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 121.032 0.444 . . . . 10.71 110.989 -179.663 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -71.96 -28.28 68.94 Favored Glycine 0 N--CA 1.451 -0.351 0 N-CA-C 111.729 -0.548 . . . . 11.05 111.729 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 59.4 mt -81.27 -53.22 12.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.949 0.404 . . . . 9.74 109.996 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 78.4 mt -61.31 -33.15 73.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.067 -0.515 . . . . 9.17 111.675 -179.604 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -79.05 -10.9 85.72 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.987 -0.625 . . . . 11.56 112.271 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -98.14 -39.21 9.0 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.233 0.54 . . . . 12.46 110.048 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 68.9 m -79.05 168.79 19.17 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.625 -0.716 . . . . 9.82 110.938 179.255 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.545 ' OE2' ' HB3' ' B' ' 14' ' ' MET . 1.3 mt-10 -80.8 14.59 2.1 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.033 -0.531 . . . . 10.24 111.219 -179.769 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -97.71 7.38 46.53 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.938 0.399 . . . . 7.68 110.946 -179.672 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 11.3 ptmt -65.19 122.69 17.68 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.953 -0.567 . . . . 11.56 110.992 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 89.0 10.45 66.44 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.706 -0.759 . . . . 8.65 111.567 -179.5 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -125.31 159.38 31.86 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.939 0.399 . . . . 7.58 110.267 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 36.2 m80 -125.63 156.92 38.45 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.038 -0.727 . . . . 7.9 109.038 179.318 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 27.0 tp -57.34 -45.17 84.56 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.844 0.354 . . . . 4.14 111.274 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.52 -35.72 79.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 5.79 111.079 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -63.12 -40.78 98.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.918 -0.583 . . . . 6.75 111.373 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 82.6 mt -70.43 -42.68 78.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.969 -0.56 . . . . 4.76 111.26 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 6.9 mp -64.95 -24.44 67.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.019 0.437 . . . . 5.48 111.66 -179.511 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 28.2 t30 -75.27 -42.6 54.64 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.068 -0.514 . . . . 7.63 110.943 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.85 -48.72 10.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.027 -0.533 . . . . 6.84 112.06 -178.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -76.33 93.06 3.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.194 0.521 . . . . 6.55 110.941 -179.291 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 22.0 m -129.85 160.4 33.63 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.011 -0.541 . . . . 8.4 110.931 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 55.8 mtp180 -136.59 156.2 48.89 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.337 -0.392 . . . . 10.35 109.971 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 46.9 t -85.7 118.21 70.18 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 116.282 -0.417 . . . . 11.96 110.147 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo . . . . . 0 C--N 1.343 0.27 0 C-N-CA 123.034 2.49 . . . . 13.1 112.556 -179.815 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 24.6 t . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.446 -0.576 . . . . 9.95 109.446 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 21' ' ' HIS . . . . . . . . . . . . . 50.1 t60 -76.33 123.86 26.6 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.884 -0.598 . . . . 9.34 110.923 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 22' ' ' LEU . . . . . . . . . . . . . 92.7 mt -133.92 139.67 46.3 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.123 -0.489 . . . . 6.88 110.8 179.735 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 23' ' ' THR . . . . . 0.714 HG23 ' HG2' ' C' ' 35' ' ' GLU . 5.7 m -105.13 117.56 34.31 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.077 -0.712 . . . . 8.91 109.077 179.281 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 24' ' ' LEU . . . . . 0.48 HD23 ' HB ' ' C' ' 90' ' ' ILE . 31.3 mt -97.14 119.29 35.35 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.832 -0.167 . . . . 8.66 110.929 -179.028 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 25' ' ' LYS . . . . . 0.479 ' HA ' ' O ' ' C' ' 32' ' ' PHE . 29.1 tttt -129.36 130.47 46.09 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 123.266 0.354 . . . . 13.38 111.395 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 26' ' ' LYS . . . . . 0.4 ' HA ' ' O ' ' C' ' 92' ' ' VAL . 26.8 ttpp -94.54 136.9 34.32 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.999 -0.371 . . . . 14.09 109.999 179.28 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 27' ' ' ILE . . . . . . . . . . . . . 9.1 pt -83.31 -38.63 14.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 112.165 0.432 . . . . 14.88 112.165 -179.624 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 15.0 mp0 -69.46 133.85 48.23 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.776 -0.193 . . . . 15.23 110.673 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 29' ' ' ALA . . . . . 0.523 ' HB2' ' HB3' ' B' ' 42' ' ' ASP . . . -69.18 142.45 92.78 Favored Pre-proline 0 C--N 1.33 -0.28 0 O-C-N 123.157 0.286 . . . . 18.5 110.445 179.342 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 30' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -75.03 140.8 69.31 Favored 'Cis proline' 0 C--N 1.343 0.243 0 C-N-CA 123.341 -1.525 . . . . 17.48 112.017 -0.348 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 31' ' ' LYS . . . . . 0.41 ' CE ' ' HA ' ' B' ' 42' ' ' ASP . 89.2 mttt -83.44 150.63 25.91 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.503 -0.317 . . . . 17.53 111.218 -179.405 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 32' ' ' PHE . . . . . 0.479 ' O ' ' HA ' ' C' ' 25' ' ' LYS . 17.8 p90 -150.21 147.76 28.09 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.896 -0.593 . . . . 13.5 109.812 178.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 33' ' ' SER . . . . . . . . . . . . . 15.0 m -131.93 101.16 5.32 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.427 -0.351 . . . . 12.36 110.281 179.174 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 34' ' ' ILE . . . . . 0.421 HG12 ' HE1' ' C' ' 32' ' ' PHE . 42.7 pt -108.03 149.23 11.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.477 -0.329 . . . . 10.72 110.114 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 35' ' ' GLU . . . . . 0.714 ' HG2' HG23 ' C' ' 23' ' ' THR . 6.3 mt-10 -121.31 144.45 48.63 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.113 0.482 . . . . 10.54 111.343 -179.398 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 36' ' ' HIS . . . . . . . . . . . . . 16.2 t60 -159.01 157.7 31.75 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.833 -0.621 . . . . 9.85 109.921 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -112.78 113.54 25.68 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.938 0.399 . . . . 9.77 109.996 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 38' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -97.7 177.51 5.46 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.156 -0.474 . . . . 9.82 110.728 -179.133 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -96.25 153.84 38.91 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 116.36 -0.382 . . . . 11.97 110.07 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -66.15 -23.53 52.77 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.387 2.058 . . . . 12.89 111.387 179.498 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.33 -5.12 59.25 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.676 -0.693 . . . . 14.42 111.542 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 42' ' ' ASP . . . . . 0.452 ' O ' ' HG ' ' C' ' 78' ' ' LEU . 13.9 m-20 -77.0 159.65 29.75 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 120.908 0.385 . . . . 11.77 110.421 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 74.1 p -115.86 174.2 6.15 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.43 -0.581 . . . . 11.4 109.43 179.111 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 44' ' ' ILE . . . . . 0.491 HG23 HD12 ' C' ' 65' ' ' LEU . 47.7 mm -62.27 -29.99 47.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.12 0.486 . . . . 7.86 110.044 179.217 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 45.4 tp -62.44 -36.2 81.64 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 115.766 -0.652 . . . . 12.88 110.711 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 46' ' ' GLN . . . . . 0.436 ' HA ' ' OE1' ' C' ' 49' ' ' GLN . 1.4 mp0 -63.08 -36.79 84.75 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.35 -0.386 . . . . 12.18 110.704 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 60.7 mt -65.77 -42.94 93.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 109.361 -0.607 . . . . 8.04 109.361 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -61.75 -45.39 94.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.516 -0.766 . . . . 10.51 110.411 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 49' ' ' GLN . . . . . 0.436 ' OE1' ' HA ' ' C' ' 46' ' ' GLN . 73.3 mt-30 -61.26 -34.66 75.54 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.194 -0.457 . . . . 13.94 110.664 179.579 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 50' ' ' HIS . . . . . 0.602 ' O ' ' HG2' ' C' ' 54' ' ' GLU . 11.0 t60 -73.39 -30.71 63.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.031 -0.531 . . . . 11.16 111.343 -179.545 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 30.9 mt -66.68 -27.38 67.61 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.975 0.417 . . . . 12.37 111.025 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 52' ' ' ILE . . . . . . . . . . . . . 56.2 mt -73.98 -40.94 52.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.117 -0.492 . . . . 15.35 110.542 179.633 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 3.7 p -67.75 -27.53 66.86 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.945 0.403 . . . . 15.02 111.208 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 54' ' ' GLU . . . . . 0.602 ' HG2' ' O ' ' C' ' 50' ' ' HIS . 6.6 mm-40 -86.61 8.88 20.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.357 -0.383 . . . . 14.38 110.077 179.352 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 58.73 36.44 24.87 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 115.569 -0.741 . . . . 18.85 112.778 179.339 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 41.5 mmtm -103.9 -10.32 18.26 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.518 -0.31 . . . . 14.47 111.244 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.63 169.28 21.94 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 116.418 -0.355 . . . . 15.28 110.358 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 58' ' ' SER . . . . . . . . . . . . . 41.3 t -113.44 -44.45 3.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.825 0.345 . . . . 17.75 110.934 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 59' ' ' HIS . . . . . 0.66 ' HB2' ' HG3' ' C' ' 62' ' ' GLU . 97.6 m-70 -125.93 154.01 43.43 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.34 -0.391 . . . . 19.22 111.257 -179.646 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 60' ' ' ILE . . . . . 0.412 ' HA ' HD12 ' C' ' 63' ' ' ILE . 35.0 mm -66.27 -36.88 78.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.856 -0.611 . . . . 13.8 110.096 179.34 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.04 -21.95 66.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.516 -0.766 . . . . 14.67 112.066 -179.304 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 62' ' ' GLU . . . . . 0.66 ' HG3' ' HB2' ' C' ' 59' ' ' HIS . 68.1 mt-10 -78.76 -28.53 44.79 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.332 -0.395 . . . . 16.71 110.621 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 63' ' ' ILE . . . . . 0.412 HD12 ' HA ' ' C' ' 60' ' ' ILE . 17.8 mt -78.69 108.82 12.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 113.184 0.809 . . . . 10.79 113.184 -177.459 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 64' ' ' LYS . . . . . 0.804 ' HB3' ' HB2' ' C' ' 93' ' ' MET . 79.2 tttt -113.9 111.2 21.33 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.059 -1.089 . . . . 9.73 108.059 178.478 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 65' ' ' LEU . . . . . 0.491 HD12 HG23 ' C' ' 44' ' ' ILE . 86.5 mt -102.13 150.24 23.47 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.912 0.386 . . . . 5.89 111.852 -178.665 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 66' ' ' LEU . . . . . 0.563 HD13 HG21 ' A' ' 49' ' ' VAL . 0.7 OUTLIER -139.94 146.22 38.9 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.073 -0.512 . . . . 7.57 111.202 179.759 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 67' ' ' LEU . . . . . 0.429 ' N ' ' HG ' ' C' ' 66' ' ' LEU . 69.2 tp -137.43 90.7 2.53 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.774 -0.648 . . . . 7.44 109.792 178.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 68' ' ' LYS . . . . . 0.426 ' HB3' ' HE3' ' C' ' 68' ' ' LYS . 0.0 OUTLIER 59.31 73.53 0.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.786 -0.643 . . . . 12.88 111.938 179.586 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 69' ' ' GLY . . . . . 0.427 ' HA2' ' SG ' ' B' ' 53' ' ' CYS . . . 75.71 -42.35 1.52 Allowed Glycine 0 CA--C 1.523 0.557 0 N-CA-C 114.378 0.511 . . . . 8.93 114.378 179.126 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 70' ' ' LYS . . . . . 0.828 ' HE3' ' HA ' ' C' ' 70' ' ' LYS . 0.0 OUTLIER -78.17 138.14 38.54 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.885 0.374 . . . . 9.44 111.857 -179.42 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 71' ' ' VAL . . . . . . . . . . . . . 94.3 t -85.48 130.07 36.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.044 -0.526 . . . . 7.05 109.645 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 72' ' ' LEU . . . . . 0.47 ' HB2' ' HB2' ' C' ' 65' ' ' LEU . 69.3 mt -80.91 100.81 9.08 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.14 0.495 . . . . 5.9 110.465 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 73' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -82.53 153.37 25.58 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.524 -0.762 . . . . 8.93 110.374 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -56.56 -39.33 73.26 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.965 0.412 . . . . 9.91 111.187 -179.337 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 75' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -80.84 66.15 6.25 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.697 -0.683 . . . . 13.36 111.002 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 76' ' ' LEU . . . . . . . . . . . . . 63.8 tp -157.16 132.34 9.01 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.647 -0.706 . . . . 9.58 109.862 179.586 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -88.3 146.96 25.02 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.254 -0.43 . . . . 14.32 110.824 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 78' ' ' LEU . . . . . 0.711 ' HA ' ' HG ' ' C' ' 81' ' ' LEU . 17.4 mt -69.37 -12.54 61.75 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.149 -0.478 . . . . 9.53 111.297 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 79' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.24 -10.11 59.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.983 0.42 . . . . 12.75 111.052 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 80' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -112.13 8.8 20.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.429 0.633 . . . . 12.44 110.41 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 81' ' ' LEU . . . . . 0.711 ' HG ' ' HA ' ' C' ' 78' ' ' LEU . 14.9 mt -73.87 124.09 25.47 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.036 -0.529 . . . . 10.15 110.553 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 82' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -82.63 64.61 7.35 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.219 0.533 . . . . 12.59 110.324 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 11.9 m -105.39 137.62 34.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.784 -0.643 . . . . 11.5 111.361 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 84' ' ' THR . . . . . 0.653 ' HB ' ' HD2' ' C' ' 85' ' ' PRO . 19.5 p -134.89 175.35 3.7 Favored Pre-proline 0 C--N 1.321 -0.666 0 N-CA-C 108.957 -0.757 . . . . 13.96 108.957 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 85' ' ' PRO . . . . . 0.653 ' HD2' ' HB ' ' C' ' 84' ' ' THR . 76.6 Cg_exo -53.31 -28.47 43.27 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 122.468 2.112 . . . . 14.91 112.014 178.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -80.39 -61.83 1.86 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.952 0.406 . . . . 15.11 110.566 179.212 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 87' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -101.36 87.47 3.22 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.054 0.454 . . . . 12.35 111.959 -179.678 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 88' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -121.1 8.99 10.42 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.817 -0.629 . . . . 10.32 110.033 179.397 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 89' ' ' THR . . . . . . . . . . . . . 2.4 m -99.21 131.94 44.88 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.627 -0.715 . . . . 9.82 111.233 -179.256 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 90' ' ' ILE . . . . . 0.48 ' HB ' HD23 ' C' ' 24' ' ' LEU . 46.8 mm -104.0 131.24 53.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 109.185 -0.672 . . . . 6.59 109.185 179.679 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 91' ' ' THR . . . . . 0.427 ' HB ' ' HB3' ' C' ' 66' ' ' LEU . 7.3 m -82.71 123.66 29.5 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.848 0.356 . . . . 8.75 110.885 -179.741 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 92' ' ' VAL . . . . . 0.4 ' O ' ' HA ' ' C' ' 26' ' ' LYS . 29.1 t -106.05 127.99 60.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.007 -0.542 . . . . 9.58 110.475 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 93' ' ' MET . . . . . 0.804 ' HB2' ' HB3' ' C' ' 64' ' ' LYS . 79.8 mtp -125.21 145.64 49.88 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.125 -0.695 . . . . 10.9 109.125 178.795 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 94' ' ' ILE . . . . . 0.507 ' HA ' ' O ' ' C' ' 62' ' ' GLU . 74.3 mt -124.59 120.96 60.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 123.222 0.326 . . . . 13.44 110.445 179.326 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 95' ' ' LYS . . . . . 0.43 ' O ' ' HA ' ' C' ' 62' ' ' GLU . 16.4 mmtp . . . . . 0 C--N 1.326 -0.417 0 CA-C-N 116.203 -0.453 . . . . 14.6 111.15 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.9 m . . . . . 0 C--O 1.234 0.262 0 N-CA-C 112.628 0.603 . . . . 10.77 112.628 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 61.96 53.81 2.96 Favored 'General case' 0 N--CA 1.462 0.148 0 N-CA-C 108.417 -0.957 . . . . 8.07 108.417 -178.541 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.5 m -71.74 167.17 20.46 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.388 -1.278 . . . . 10.11 112.262 -178.29 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 18.3 mtmm -56.1 -42.63 77.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.626 -0.716 . . . . 10.66 112.138 -179.292 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.8 pm0 -67.45 -35.61 79.54 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.571 0.224 . . . . 11.43 111.181 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -68.32 -43.17 78.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.106 0.479 . . . . 8.91 110.139 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 87.2 mt -69.03 -42.52 82.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.719 -0.673 . . . . 6.35 110.428 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.53 -39.24 79.59 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.272 -0.422 . . . . 7.12 110.946 179.527 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.89 -39.74 90.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.849 -0.614 . . . . 7.6 110.502 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 77.6 mt -68.51 -38.76 81.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.435 . . . . 5.59 110.644 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 88.1 mt -61.41 -52.97 54.93 Favored 'Isoleucine or valine' 0 C--O 1.236 0.351 0 CA-C-N 115.75 -0.659 . . . . 4.33 110.428 179.446 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 26.9 m -66.94 -32.5 58.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.406 -0.361 . . . . 6.96 110.973 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 32.5 t30 -61.27 -43.92 98.09 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.962 0.411 . . . . 7.34 109.901 178.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.45 ' O ' HG13 ' A' ' 33' ' ' ILE . 22.0 t80 -63.71 -49.56 72.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.022 -0.535 . . . . 5.51 110.247 179.377 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -58.0 -43.14 86.47 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.31 -0.404 . . . . 6.35 110.909 179.605 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 46.8 m -61.8 -43.05 99.61 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.989 -0.55 . . . . 8.01 110.408 179.29 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.547 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 19.7 m -64.24 -34.3 77.79 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.221 -0.445 . . . . 8.27 110.708 179.634 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.45 HG13 ' O ' ' A' ' 29' ' ' TYR . 96.8 mt -62.18 -48.18 89.63 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 CA-C-N 116.221 -0.445 . . . . 8.37 111.234 179.521 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 22.0 m -73.69 -27.53 23.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 112.141 0.423 . . . . 9.63 112.141 -179.353 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -63.87 -39.12 93.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.753 0.311 . . . . 10.98 111.797 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.547 ' HG2' ' O ' ' A' ' 32' ' ' SER . 18.6 pttt -106.45 11.17 31.06 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.813 0.301 . . . . 11.09 111.813 -179.79 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 34.7 tttm 53.38 61.72 3.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.983 -0.553 . . . . 11.72 112.064 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -95.45 7.25 46.78 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.937 -0.574 . . . . 9.58 110.63 179.322 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 16.3 tt -142.07 159.2 20.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.743 -0.662 . . . . 9.5 109.61 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.37 163.53 27.49 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.765 0.317 . . . . 9.96 110.954 -179.707 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.462 ' CD ' ' H ' ' A' ' 41' ' ' GLU . 16.6 mp0 -57.93 -38.87 76.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.261 0.553 . . . . 11.9 109.812 179.746 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -57.3 -44.81 84.42 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.084 -0.962 . . . . 10.3 110.933 179.391 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.05 -33.77 70.03 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 121.1 -0.571 . . . . 8.47 112.255 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.91 -33.92 76.81 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.145 0.498 . . . . 8.42 110.143 179.364 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -61.58 -46.33 90.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.488 -0.778 . . . . 9.73 110.189 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -65.82 -35.05 79.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.876 -0.602 . . . . 7.86 110.829 179.756 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 71.1 mt -66.69 -27.74 67.89 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 116.441 -0.345 . . . . 6.77 111.415 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -60.48 -29.95 69.38 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.008 -0.542 . . . . 9.39 111.271 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.51 HG11 HD22 ' C' ' 66' ' ' LEU . 7.2 p -102.31 -34.56 3.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 C-N-CA 120.709 -0.396 . . . . 9.6 111.505 179.329 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.547 ' HB2' ' HB2' ' B' ' 53' ' ' CYS . . . -59.55 -52.6 64.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.481 -0.327 . . . . 7.62 111.459 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 43.0 ttm -62.87 -37.24 86.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.123 0.487 . . . . 8.19 110.754 -179.489 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.404 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 36.8 t0 -63.29 -45.7 90.17 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.614 -0.721 . . . . 11.12 110.932 -179.579 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 83.5 m -64.55 -43.48 93.79 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.117 -0.492 . . . . 9.77 111.409 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 96.5 mt -59.37 -42.99 89.22 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-O 120.84 0.353 . . . . 9.06 110.916 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.514 ' HA ' ' CE1' ' A' ' 60' ' ' PHE . 18.4 m -57.81 -58.41 8.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.794 -0.639 . . . . 10.96 112.016 -179.333 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.404 ' HG2' ' O ' ' A' ' 52' ' ' ASP . 6.9 pt-20 -65.27 -31.64 72.89 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.846 0.684 . . . . 12.89 112.846 -178.85 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.59 -49.35 71.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.638 0.256 . . . . 11.68 111.203 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -76.42 -15.39 59.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.892 0.377 . . . . 11.93 111.47 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.26 32.11 20.86 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.759 -0.734 . . . . 13.13 112.887 179.282 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.514 ' CE1' ' HA ' ' A' ' 55' ' ' SER . 17.1 p90 -128.9 156.22 44.04 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.796 0.331 . . . . 12.01 110.611 179.602 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 74.3 mt-10 -96.16 142.76 27.96 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.581 -0.282 . . . . 14.85 110.704 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 43.4 ttp180 -58.71 -40.91 85.07 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.145 0.498 . . . . 11.66 110.787 179.574 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.9 -7.44 48.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.775 -0.648 . . . . 13.0 111.782 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -98.71 5.3 47.71 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 111.696 0.258 . . . . 12.82 111.696 -179.334 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 13.5 p -59.8 -36.72 67.89 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 CA-C-O 120.896 0.379 . . . . 10.88 111.173 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -65.32 -34.08 77.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.11 -0.496 . . . . 12.04 110.189 179.461 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -69.68 -48.75 40.84 Favored Glycine 0 N--CA 1.443 -0.879 0 CA-C-N 115.738 -0.665 . . . . 12.77 111.943 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 49.8 mt -60.05 -51.5 72.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.688 0.28 . . . . 11.54 110.905 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.561 ' O ' ' HB3' ' A' ' 75' ' ' LYS . 96.2 mt -62.67 -31.91 72.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.826 0.346 . . . . 10.42 111.296 -179.633 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -68.48 -33.03 76.04 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 121.032 -0.604 . . . . 12.46 113.355 -179.595 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.407 ' HE2' ' HB3' ' A' ' 71' ' ' LYS . 14.8 ptpt -94.75 -23.79 17.39 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.273 0.472 . . . . 14.12 112.273 -179.336 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 14.7 m -78.75 -179.58 6.6 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.921 0.391 . . . . 10.83 111.266 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -82.35 -30.36 30.43 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.059 -0.518 . . . . 10.68 111.344 -179.686 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -81.95 58.71 4.01 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.109 0.48 . . . . 8.37 111.572 -178.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.561 ' HB3' ' O ' ' A' ' 69' ' ' LEU . 11.5 ptmt -98.14 115.86 29.18 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.053 0.454 . . . . 12.83 111.154 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 90.51 17.37 52.75 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.805 -0.712 . . . . 9.82 111.755 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 25.4 mm-40 -127.56 130.4 49.02 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 110.189 -0.301 . . . . 8.93 110.189 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 48.7 m80 -88.58 160.71 17.31 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.372 -0.973 . . . . 8.72 108.372 178.791 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 27.4 tp -57.33 -37.95 73.34 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.046 0.45 . . . . 4.7 111.131 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.78 -35.67 77.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.982 -0.554 . . . . 5.96 111.421 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -60.46 -48.46 81.66 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.032 0.444 . . . . 7.82 110.822 -179.228 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 53.5 mt -64.03 -47.84 88.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.788 -0.642 . . . . 5.79 110.595 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.3 mp -63.12 -33.74 76.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.876 -0.602 . . . . 5.97 111.575 -179.53 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -74.09 -39.22 63.56 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.315 -0.402 . . . . 9.2 110.756 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 42.2 m -65.42 -34.78 79.1 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.19 0.519 . . . . 7.98 110.049 179.204 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -68.86 130.95 44.27 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.748 -0.66 . . . . 7.06 110.844 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.405 ' HB3' ' HB2' ' B' ' 14' ' ' MET . 15.4 m -119.57 101.02 7.63 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.942 -0.572 . . . . 9.21 110.21 179.635 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 88' ' ' ARG . 0.1 OUTLIER -91.13 118.13 30.18 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.069 -0.514 . . . . 9.55 111.248 -179.024 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 17.5 t -97.53 107.19 37.76 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 116.108 -0.496 . . . . 12.15 109.783 179.519 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -75.67 111.65 3.34 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.726 2.284 . . . . 12.82 111.417 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -128.97 74.2 1.56 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.981 0.419 . . . . 14.19 110.516 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.1 p . . . . . 0 C--O 1.247 0.951 0 CA-C-N 116.006 -0.543 . . . . 15.67 110.593 179.952 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 14' ' ' MET . . . . . 0.405 ' HB2' ' HB3' ' A' ' 87' ' ' SER . 42.9 ttp . . . . . 0 N--CA 1.485 1.325 0 CA-C-O 120.829 0.347 . . . . 11.23 111.491 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 22.3 mmt -94.54 29.89 2.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.549 -0.296 . . . . 13.11 111.291 -179.315 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 11.3 m 64.54 104.65 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.236 0 O-C-N 123.681 0.613 . . . . 11.45 111.429 -179.148 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.8 109.96 1.6 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.811 -0.631 . . . . 8.27 111.339 -179.466 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -86.74 160.31 18.86 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.035 -0.53 . . . . 9.28 110.191 179.642 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -52.06 -44.17 64.16 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 113.087 0.773 . . . . 8.44 113.087 -178.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 3.9 pm0 -64.85 -37.01 86.19 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.904 0.383 . . . . 9.58 111.423 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -71.15 -38.42 72.21 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.141 -0.481 . . . . 8.61 110.345 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 79.3 mt -67.55 -45.68 84.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.923 -0.581 . . . . 4.87 109.531 178.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.65 -36.24 78.21 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.847 -0.615 . . . . 4.42 110.681 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.15 -42.61 95.25 Favored 'General case' 0 CA--C 1.522 -0.134 0 CA-C-N 116.028 -0.533 . . . . 5.79 110.515 179.385 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 29.5 mt -69.61 -33.33 72.51 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.323 -0.399 . . . . 4.52 110.518 179.094 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 98.4 mt -64.68 -52.24 57.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.912 -0.585 . . . . 4.37 110.313 179.36 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 30.6 m -66.81 -33.52 63.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-O 120.758 0.313 . . . . 6.25 110.648 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -63.64 -43.1 97.81 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.279 -0.637 . . . . 6.91 109.279 178.463 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -60.96 -47.45 86.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.495 -0.775 . . . . 7.07 110.448 179.574 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 17.5 m-30 -61.89 -39.19 91.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.045 -0.525 . . . . 8.36 110.159 179.308 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' SER . . . . . 0.532 ' HA ' HG22 ' B' ' 34' ' ' VAL . 30.9 m -64.87 -36.95 86.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.032 -0.531 . . . . 9.5 110.026 178.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 32' ' ' SER . . . . . 0.473 ' HA ' ' HG2' ' B' ' 35' ' ' GLU . 14.4 m -65.33 -27.81 68.86 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.167 0.508 . . . . 9.77 110.244 179.243 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.853 HG23 ' HB2' ' B' ' 38' ' ' GLU . 97.4 mt -78.59 -42.13 25.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.724 -0.671 . . . . 11.09 110.789 179.791 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 34' ' ' VAL . . . . . 0.532 HG22 ' HA ' ' B' ' 31' ' ' SER . 31.1 m -77.91 -25.02 14.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 113.147 0.795 . . . . 12.38 113.147 -178.832 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.473 ' HG2' ' HA ' ' B' ' 32' ' ' SER . 8.9 pt-20 -67.18 -49.0 66.25 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.176 0.436 . . . . 13.19 112.176 -179.606 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 20.4 pttm -96.09 4.22 52.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.833 0.349 . . . . 13.7 111.892 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 23.3 ttmm 61.93 82.9 0.16 Allowed 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 113.888 1.07 . . . . 15.86 113.888 178.599 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' GLU . . . . . 0.853 ' HB2' HG23 ' B' ' 33' ' ' ILE . 39.7 mt-10 -111.15 5.96 20.42 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.378 0.609 . . . . 12.56 109.495 178.159 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 10.7 tp -140.97 153.13 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.567 -0.742 . . . . 13.67 110.09 -179.026 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 7.0 p -62.38 159.39 15.45 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.845 0.355 . . . . 15.14 111.115 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 24.1 mp0 -57.38 -34.03 68.43 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.138 -0.483 . . . . 16.66 112.101 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 42' ' ' ASP . . . . . 0.415 ' HA ' ' CE ' ' C' ' 31' ' ' LYS . 2.5 p-10 -75.55 -37.69 59.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.685 0.278 . . . . 15.52 110.89 179.479 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.36 -35.37 82.05 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.908 -0.663 . . . . 13.17 111.55 179.652 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.57 -34.14 77.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.746 0.307 . . . . 12.42 111.007 179.583 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.11 -49.31 72.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 13.38 109.943 179.725 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 7.4 m -61.76 -39.76 92.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.599 -0.728 . . . . 11.72 110.67 179.268 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 41.5 mt -66.92 -38.99 87.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.417 -0.356 . . . . 9.64 110.838 179.584 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -60.02 -54.34 47.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 11.12 110.854 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' VAL . . . . . 0.587 HG21 HG21 ' C' ' 91' ' ' THR . 10.0 p -65.83 -32.96 60.46 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 CA-C-N 116.327 -0.397 . . . . 10.04 111.295 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.95 -39.79 93.34 Favored 'General case' 0 N--CA 1.456 -0.128 0 N-CA-C 109.675 -0.491 . . . . 8.26 109.675 178.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 64.3 mtm -63.6 -38.48 91.3 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.793 -0.64 . . . . 7.93 109.803 179.009 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.06 -41.35 98.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.745 -0.661 . . . . 9.48 110.229 179.304 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 53' ' ' CYS . . . . . 0.547 ' HB2' ' HB2' ' A' ' 50' ' ' ALA . 33.7 m -59.68 -44.72 93.5 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.635 -0.711 . . . . 8.11 110.142 179.42 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 50.6 mt -67.07 -36.89 78.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.829 -0.623 . . . . 6.13 110.268 179.398 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 55' ' ' SER . . . . . 0.448 ' HA ' ' CE1' ' B' ' 60' ' ' PHE . 29.9 m -61.25 -58.0 10.09 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 115.799 -0.637 . . . . 7.39 112.338 -179.485 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.74 -26.18 66.01 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.339 0.496 . . . . 8.81 112.339 -178.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.42 -41.6 93.39 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.797 0.332 . . . . 7.38 110.874 179.259 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -86.5 -23.0 26.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.894 0.378 . . . . 8.09 111.331 179.38 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.52 26.58 7.6 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.955 -0.64 . . . . 9.43 113.475 179.169 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 60' ' ' PHE . . . . . 0.448 ' CE1' ' HA ' ' B' ' 55' ' ' SER . 21.2 p90 -128.01 179.63 5.47 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 117.042 0.421 . . . . 8.7 111.38 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 61' ' ' GLU . . . . . 0.485 ' HG3' ' H ' ' B' ' 63' ' ' GLU . 8.5 tp10 -125.34 152.64 44.47 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.221 -0.445 . . . . 11.16 109.801 179.668 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 18.1 ttp-105 -62.8 -26.01 68.52 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.219 0.533 . . . . 10.74 111.249 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 63' ' ' GLU . . . . . 0.485 ' H ' ' HG3' ' B' ' 61' ' ' GLU . 34.0 mm-40 -79.27 5.23 12.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.946 -0.57 . . . . 11.8 112.013 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -110.31 2.52 19.18 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.867 0.365 . . . . 10.53 111.009 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 11.3 p -58.31 -41.78 82.09 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 CA-C-N 116.202 -0.454 . . . . 9.11 111.84 -179.314 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.4 -34.9 79.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.053 0.454 . . . . 10.71 110.683 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.16 -37.11 72.12 Favored Glycine 0 N--CA 1.449 -0.463 0 CA-C-N 115.811 -0.631 . . . . 11.05 111.938 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 75.4 mt -69.45 -52.29 34.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.832 0.349 . . . . 9.74 110.794 179.54 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 83.2 mt -61.83 -32.98 73.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.042 -0.526 . . . . 9.17 111.014 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -65.92 -22.93 70.76 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 121.094 -0.574 . . . . 11.56 112.376 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -96.72 -53.96 3.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.847 0.356 . . . . 12.46 111.187 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 46.8 m -61.55 166.27 4.27 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.781 -0.645 . . . . 9.82 112.707 -178.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -69.98 -23.67 63.19 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.734 -0.666 . . . . 10.24 111.351 -179.694 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -78.05 81.08 4.46 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.809 -0.632 . . . . 7.68 111.078 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -135.85 139.34 43.34 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.995 -0.548 . . . . 11.56 109.817 179.129 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 80.05 -1.4 80.03 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.633 -0.794 . . . . 8.65 112.319 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 23.7 mm-40 -133.26 134.57 44.12 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.505 -0.554 . . . . 7.58 109.505 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 70.7 m80 -89.88 172.25 9.02 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.81 -0.441 . . . . 7.9 109.81 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 23.8 tp -57.98 -39.65 78.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.974 0.416 . . . . 4.14 110.915 179.624 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.29 -37.12 82.89 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.112 -0.494 . . . . 5.79 111.344 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -63.84 -46.79 83.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.614 -0.721 . . . . 6.75 111.06 -179.439 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 77.2 mt -70.48 -36.82 67.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.649 -0.705 . . . . 4.76 111.845 -179.375 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 3.5 mp -67.05 -39.12 86.86 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.477 0.547 . . . . 5.48 112.477 -179.418 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -79.72 -5.73 55.81 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.601 0.593 . . . . 7.63 112.601 -179.042 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.9 p -101.97 -49.1 4.04 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.982 0.42 . . . . 6.84 110.427 178.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -87.02 61.0 6.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.358 0.599 . . . . 6.55 110.544 179.445 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 5.4 m -89.0 142.42 27.65 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.697 -0.683 . . . . 8.4 111.154 -179.555 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 37.4 mmm-85 -103.93 148.93 25.59 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.08 -0.509 . . . . 10.35 109.711 179.571 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 89' ' ' VAL . . . . . 0.403 ' HA ' ' HD3' ' B' ' 90' ' ' PRO . 21.4 t -98.79 108.23 47.58 Favored Pre-proline 0 C--N 1.323 -0.564 0 N-CA-C 109.701 -0.481 . . . . 11.96 109.701 179.081 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 90' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' B' ' 89' ' ' VAL . 12.6 Cg_exo . . . . . 0 N--CA 1.464 -0.264 0 C-N-CA 122.974 2.449 . . . . 13.1 111.769 -179.629 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 40.5 t . . . . . 0 C--O 1.232 0.136 0 CA-C-O 121.289 0.566 . . . . 9.95 109.648 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 21' ' ' HIS . . . . . . . . . . . . . 27.7 t60 -80.16 115.63 19.83 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.523 -0.762 . . . . 9.34 110.456 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 22' ' ' LEU . . . . . . . . . . . . . 95.1 mt -125.08 145.22 50.03 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.871 0.367 . . . . 6.88 111.827 -179.504 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 23' ' ' THR . . . . . 0.706 ' HB ' HG23 ' C' ' 89' ' ' THR . 0.8 OUTLIER -101.45 141.65 34.0 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.957 -0.757 . . . . 8.91 108.957 178.836 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 24' ' ' LEU . . . . . 0.466 HD23 ' HB ' ' C' ' 90' ' ' ILE . 49.7 mt -124.82 117.48 24.24 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 110.316 -0.253 . . . . 8.66 110.316 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 25' ' ' LYS . . . . . 0.596 ' HA ' ' O ' ' C' ' 32' ' ' PHE . 13.6 ptmt -130.72 138.93 50.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.985 0.421 . . . . 13.38 112.083 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 26' ' ' LYS . . . . . 0.498 ' HD3' ' O ' ' C' ' 30' ' ' PRO . 49.6 tttt -94.08 148.24 22.36 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.973 -0.558 . . . . 14.09 109.555 179.112 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 27' ' ' ILE . . . . . 0.545 HD11 ' HG3' ' C' ' 93' ' ' MET . 12.2 pt -92.16 -45.5 14.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 112.392 0.515 . . . . 14.88 112.392 -179.589 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -79.51 144.68 33.74 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.632 -0.258 . . . . 15.23 111.211 -179.361 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.11 139.98 82.65 Favored Pre-proline 0 C--N 1.326 -0.449 0 N-CA-C 110.014 -0.365 . . . . 18.5 110.014 179.324 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 30' ' ' PRO . . . . . 0.498 ' O ' ' HD3' ' C' ' 26' ' ' LYS . 74.0 Cg_endo -76.56 144.81 80.15 Favored 'Cis proline' 0 C--N 1.344 0.332 0 C-N-CA 123.476 -1.468 . . . . 17.48 111.45 -0.477 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 31' ' ' LYS . . . . . 0.477 ' HE2' ' O ' ' C' ' 27' ' ' ILE . 83.7 mttt -97.68 150.59 21.02 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.07 -0.514 . . . . 17.53 110.916 -179.597 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 32' ' ' PHE . . . . . 0.596 ' O ' ' HA ' ' C' ' 25' ' ' LYS . 47.8 p90 -138.77 151.99 47.55 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.598 -0.728 . . . . 13.5 109.088 178.338 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 33' ' ' SER . . . . . 0.442 ' HA ' ' O ' ' C' ' 24' ' ' LEU . 49.7 m -141.7 96.47 2.98 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.075 0.464 . . . . 12.36 110.084 179.576 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 39.3 pt -114.1 164.38 10.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.892 -0.595 . . . . 10.72 111.051 -179.416 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 35' ' ' GLU . . . . . 0.643 ' HG2' HG23 ' C' ' 23' ' ' THR . 6.5 mt-10 -133.26 142.5 48.55 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.257 -0.429 . . . . 10.54 110.437 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 36' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -152.6 156.8 39.99 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.793 0.33 . . . . 9.85 110.707 179.39 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -104.15 120.63 41.53 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.966 -0.561 . . . . 9.77 110.179 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 38' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -113.14 -179.47 3.65 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.578 -0.527 . . . . 9.82 109.578 179.566 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 39' ' ' SER . . . . . 0.43 ' O ' ' HB2' ' C' ' 42' ' ' ASP . 0.1 OUTLIER -108.72 158.17 34.78 Favored Pre-proline 0 C--N 1.321 -0.646 0 N-CA-C 109.814 -0.439 . . . . 11.97 109.814 179.636 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -66.12 -15.7 49.42 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.408 2.072 . . . . 12.89 111.571 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -90.28 -4.13 57.35 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.56 -0.746 . . . . 14.42 110.813 179.446 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 42' ' ' ASP . . . . . 0.485 ' O ' ' HG ' ' C' ' 78' ' ' LEU . 2.0 m-20 -78.99 150.06 32.07 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 109.543 -0.54 . . . . 11.77 109.543 179.404 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 58.0 p -111.09 171.07 7.69 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 110.044 -0.354 . . . . 11.4 110.044 179.451 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 44' ' ' ILE . . . . . 0.561 HG23 HD12 ' C' ' 65' ' ' LEU . 41.5 mm -60.18 -30.63 46.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.313 0.578 . . . . 7.86 110.085 178.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.31 -36.65 84.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.614 -0.721 . . . . 12.88 110.554 179.644 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 46' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -64.53 -37.98 89.43 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.294 -0.412 . . . . 12.18 110.917 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 63.8 mt -63.49 -41.74 93.74 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 N-CA-C 109.188 -0.671 . . . . 8.04 109.188 178.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -63.04 -45.6 91.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.374 -0.83 . . . . 10.51 110.211 179.242 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -59.86 -39.86 86.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.876 -0.602 . . . . 13.94 110.134 179.106 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 50' ' ' HIS . . . . . 0.49 ' O ' ' HG2' ' C' ' 54' ' ' GLU . 83.1 t60 -65.97 -38.15 87.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.775 -0.648 . . . . 11.16 110.861 179.802 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 43.1 mt -62.59 -33.87 75.84 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.446 -0.343 . . . . 12.37 111.164 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 52' ' ' ILE . . . . . . . . . . . . . 78.8 mt -64.87 -44.52 96.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.32 -0.4 . . . . 15.35 109.938 179.111 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.88 -24.13 67.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 15.02 111.589 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 54' ' ' GLU . . . . . 0.49 ' HG2' ' O ' ' C' ' 50' ' ' HIS . 4.8 mm-40 -87.43 7.49 28.91 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 110.099 -0.334 . . . . 14.38 110.099 179.712 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 62.87 28.17 16.28 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.718 -0.674 . . . . 18.85 111.427 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -102.94 -6.47 22.39 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.115 0.413 . . . . 14.47 112.115 -179.334 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -147.9 162.11 39.95 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.812 0.339 . . . . 15.28 111.698 -179.406 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 58' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -113.26 -42.37 3.52 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.859 -0.61 . . . . 17.75 109.63 179.418 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 59' ' ' HIS . . . . . 0.516 ' HB2' ' HG3' ' C' ' 62' ' ' GLU . 94.7 m-70 -127.35 171.55 11.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.147 -0.479 . . . . 19.22 110.985 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 37.5 mm -79.72 -38.72 19.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.06 -0.518 . . . . 13.8 111.593 -179.497 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 1.9 p -66.14 -32.35 73.75 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.237 0.458 . . . . 14.67 112.237 -179.025 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 62' ' ' GLU . . . . . 0.516 ' HG3' ' HB2' ' C' ' 59' ' ' HIS . 69.0 mt-10 -60.22 -30.13 69.19 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.333 -0.394 . . . . 16.71 111.364 -179.543 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 63' ' ' ILE . . . . . 0.404 HG22 ' HG ' ' C' ' 65' ' ' LEU . 24.1 mt -84.24 97.8 5.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 112.362 0.504 . . . . 10.79 112.362 -178.154 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 64' ' ' LYS . . . . . 0.513 ' HB3' ' HB3' ' C' ' 93' ' ' MET . 17.6 ttmt -98.23 89.08 4.36 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.502 -0.925 . . . . 9.73 108.502 178.257 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 65' ' ' LEU . . . . . 0.561 HD12 HG23 ' C' ' 44' ' ' ILE . 81.6 mt -75.71 134.91 40.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 5.89 111.511 -179.045 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 66' ' ' LEU . . . . . 0.51 HD22 HG11 ' A' ' 49' ' ' VAL . 2.6 mt -131.57 150.62 52.08 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.215 -0.448 . . . . 7.57 111.364 -179.25 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 65.5 tp -137.16 101.38 4.53 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.794 -0.639 . . . . 7.44 109.472 178.626 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 20.7 mmmt 60.55 24.78 14.45 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 115.97 -0.559 . . . . 12.88 111.989 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 69' ' ' GLY . . . . . 0.439 ' HA3' ' HA ' ' B' ' 53' ' ' CYS . . . 111.8 -29.65 8.37 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.986 -0.626 . . . . 8.93 112.934 179.451 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 70' ' ' LYS . . . . . 0.762 ' HE3' ' HA ' ' C' ' 70' ' ' LYS . 0.1 OUTLIER -77.31 132.52 38.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 122.943 -0.151 . . . . 9.44 110.962 -179.49 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 71' ' ' VAL . . . . . . . . . . . . . 42.0 t -81.1 125.51 39.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.209 0.528 . . . . 7.05 109.946 179.216 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 48.4 mt -84.0 104.47 14.1 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.138 0.494 . . . . 5.9 111.046 -179.264 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 73' ' ' HIS . . . . . . . . . . . . . 24.0 m-70 -72.38 150.97 42.96 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.73 -0.668 . . . . 8.93 110.56 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -54.5 -35.44 63.14 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 113.019 0.748 . . . . 9.91 113.019 -178.605 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 75' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -84.19 23.11 1.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 113.041 0.756 . . . . 13.36 113.041 -178.5 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 76' ' ' LEU . . . . . . . . . . . . . 23.9 tp -105.1 132.54 51.2 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 110.132 -0.321 . . . . 9.58 110.132 179.337 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -88.71 151.49 22.39 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.233 -0.439 . . . . 14.32 109.966 179.596 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 78' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' C' ' 42' ' ' ASP . 13.0 mt -64.83 -17.77 64.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.516 -0.311 . . . . 9.53 111.77 -179.449 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 79' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.73 -17.96 61.05 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.022 0.439 . . . . 12.75 111.018 179.78 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 80' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -96.02 -3.94 44.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.164 0.507 . . . . 12.44 110.218 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 81' ' ' LEU . . . . . 0.467 ' HG ' ' HA ' ' C' ' 78' ' ' LEU . 19.2 mt -71.19 129.37 38.74 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.026 -0.533 . . . . 10.15 110.911 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 82' ' ' LYS . . . . . . . . . . . . . 39.1 mmtm -84.95 59.02 5.35 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.591 -0.522 . . . . 12.59 109.591 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 12.0 m -94.37 141.56 14.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.797 -0.638 . . . . 11.5 111.576 -179.249 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 84' ' ' THR . . . . . 0.5 ' HB ' ' HD2' ' C' ' 85' ' ' PRO . 69.5 p -135.76 174.36 4.63 Favored Pre-proline 0 C--N 1.322 -0.628 0 N-CA-C 108.364 -0.976 . . . . 13.96 108.364 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 85' ' ' PRO . . . . . 0.5 ' HD2' ' HB ' ' C' ' 84' ' ' THR . 43.0 Cg_exo -60.03 -23.91 74.78 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.107 1.871 . . . . 14.91 110.594 178.059 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -83.26 -55.69 4.2 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.506 -0.77 . . . . 15.11 109.905 178.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 87' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -106.75 93.86 4.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.461 0.648 . . . . 12.35 111.834 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 88' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.66 8.07 8.24 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.678 -0.692 . . . . 10.32 109.702 179.298 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 89' ' ' THR . . . . . 0.706 HG23 ' HB ' ' C' ' 23' ' ' THR . 5.4 m -100.36 128.02 46.53 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.486 -0.779 . . . . 9.82 111.411 -178.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 90' ' ' ILE . . . . . 0.466 ' HB ' HD23 ' C' ' 24' ' ' LEU . 39.2 mm -99.08 138.25 24.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.85 -0.613 . . . . 6.59 109.435 179.536 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 91' ' ' THR . . . . . 0.587 HG21 HG21 ' B' ' 49' ' ' VAL . 1.9 m -86.82 122.42 30.67 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.836 0.351 . . . . 8.75 110.096 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 92' ' ' VAL . . . . . . . . . . . . . 18.6 t -106.3 101.83 13.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.434 -0.348 . . . . 9.58 111.038 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 93' ' ' MET . . . . . 0.545 ' HG3' HD11 ' C' ' 27' ' ' ILE . 13.3 ttt -96.0 125.87 40.84 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.42 -0.956 . . . . 10.9 108.42 178.146 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 94' ' ' ILE . . . . . 0.41 HD12 ' HD2' ' C' ' 26' ' ' LYS . 66.9 mt -113.08 123.23 68.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 120.873 0.368 . . . . 13.44 111.124 -179.285 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 95' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.321 -0.667 0 CA-C-N 115.801 -0.636 . . . . 14.6 109.347 179.043 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.0 m . . . . . 0 C--O 1.231 0.123 0 N-CA-C 112.008 0.373 . . . . 10.77 112.008 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 60.8 74.3 0.45 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 121.462 0.649 . . . . 8.07 109.983 -178.733 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.5 m -72.38 159.1 34.56 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.299 -0.864 . . . . 10.11 111.7 -178.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.5 mtmm -54.33 -44.89 72.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.848 -0.615 . . . . 10.66 111.538 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -65.46 -34.53 78.5 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.351 -0.386 . . . . 11.43 111.468 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -68.54 -45.87 71.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.059 0.457 . . . . 8.91 110.062 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 75.9 mt -67.96 -43.75 85.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.62 -0.718 . . . . 6.35 110.603 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.85 -36.99 78.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 7.12 110.733 179.556 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.39 -40.17 89.94 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.994 -0.548 . . . . 7.6 110.499 179.426 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.602 HD12 HD21 ' B' ' 83' ' ' LEU . 11.2 mt -71.38 -36.57 71.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.938 0.399 . . . . 5.59 110.459 179.216 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 97.3 mt -61.71 -52.6 58.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.792 -0.64 . . . . 4.33 110.443 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 31.4 m -67.82 -29.64 45.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.443 -0.344 . . . . 6.96 110.791 179.499 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 45.6 t-20 -63.29 -46.82 85.01 Favored 'General case' 0 CA--C 1.519 -0.25 0 N-CA-C 108.717 -0.845 . . . . 7.34 108.717 178.277 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.508 ' O ' HG13 ' A' ' 33' ' ' ILE . 19.1 t80 -60.28 -45.81 92.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.884 -0.598 . . . . 5.51 110.381 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.0 m-30 -58.93 -46.35 88.2 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.151 -0.477 . . . . 6.35 110.562 179.318 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.9 m -63.2 -42.62 99.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.922 -0.581 . . . . 8.01 110.356 179.249 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.546 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 49.0 m -60.64 -37.17 80.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.313 -0.403 . . . . 8.27 111.192 179.473 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.508 HG13 ' O ' ' A' ' 29' ' ' TYR . 95.3 mt -64.71 -43.28 96.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.492 -0.322 . . . . 8.37 111.1 179.717 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 20.9 m -76.64 -23.71 15.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.723 0.296 . . . . 9.63 111.717 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -66.13 -40.83 90.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.217 0.532 . . . . 10.98 110.496 179.08 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.546 ' HG2' ' O ' ' A' ' 32' ' ' SER . 35.6 pttt -93.42 -4.89 50.54 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.768 -0.651 . . . . 11.09 110.125 179.46 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.6 tttm 58.14 48.85 12.27 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.117 -0.947 . . . . 11.72 111.258 -179.211 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.497 ' HB2' ' HG3' ' A' ' 36' ' ' LYS . 1.0 OUTLIER -98.12 27.78 4.4 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.898 -0.592 . . . . 9.58 110.816 -179.799 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 17.8 tt -139.79 151.97 22.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.75 -0.659 . . . . 9.5 110.184 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.1 m -69.47 154.57 41.81 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.317 -0.402 . . . . 9.96 110.853 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.38 -41.34 69.09 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.045 -0.525 . . . . 11.9 111.658 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -65.22 -43.44 91.48 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.13 -0.486 . . . . 10.3 111.091 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.76 -31.41 70.31 Favored Glycine 0 C--N 1.331 0.287 0 CA-C-N 116.009 -0.541 . . . . 8.47 112.318 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.6 -39.36 93.52 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.82 -0.437 . . . . 8.42 109.82 179.236 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -65.15 -35.62 81.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.819 -0.628 . . . . 9.73 110.031 179.417 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.517 ' HB2' ' HB2' ' B' ' 57' ' ' ALA . 1.2 m -65.57 -51.01 62.98 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 115.933 -0.576 . . . . 7.86 110.45 179.346 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 32.8 mt -63.27 -33.67 76.01 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.412 -0.358 . . . . 6.77 110.258 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -61.54 -43.39 98.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.634 -0.712 . . . . 9.39 111.11 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.2 p -81.87 -37.13 14.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 C-N-CA 121.01 -0.276 . . . . 9.6 111.616 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.32 -40.86 95.78 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.688 0.28 . . . . 7.62 110.933 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 44.4 ttm -58.82 -36.55 74.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 8.19 110.88 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -60.08 -54.8 41.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.854 -0.612 . . . . 11.12 110.745 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.475 ' HB2' ' HB2' ' B' ' 50' ' ' ALA . 4.9 m -63.4 -36.98 85.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.007 -0.542 . . . . 9.77 111.983 -179.618 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.434 HD11 HD11 ' B' ' 54' ' ' ILE . 86.9 mt -64.88 -43.64 96.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.819 0.342 . . . . 9.06 111.145 -179.725 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.421 ' HB3' ' O ' ' A' ' 60' ' ' PHE . 37.6 m -54.09 -58.72 6.28 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.0 -0.545 . . . . 10.96 112.442 -179.074 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.412 ' HG2' ' H ' ' A' ' 56' ' ' GLU . 3.7 pt-20 -66.01 -29.57 69.97 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.788 0.662 . . . . 12.89 112.788 -178.84 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.4 -42.56 96.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.887 0.375 . . . . 11.68 111.372 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.418 ' HB2' ' CD1' ' A' ' 60' ' ' PHE . 89.2 m-85 -91.26 -3.21 57.11 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.306 -0.407 . . . . 11.93 111.509 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 74.73 45.95 20.07 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.834 -0.698 . . . . 13.13 113.094 179.355 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.421 ' O ' ' HB3' ' A' ' 55' ' ' SER . 19.5 p90 -144.71 146.62 32.3 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.996 -0.372 . . . . 12.01 109.996 179.114 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -92.29 146.43 23.71 Favored 'General case' 0 C--N 1.317 -0.829 0 C-N-CA 120.865 -0.334 . . . . 14.85 110.378 179.53 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 45.1 ttp180 -55.6 -40.58 72.26 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.168 0.509 . . . . 11.66 110.36 179.485 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 54.6 mp0 -68.44 -12.99 61.98 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.636 -0.711 . . . . 13.0 112.335 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -97.01 -2.05 44.24 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.286 0.476 . . . . 12.82 112.286 -178.803 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.5 p -56.43 -39.96 64.46 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 N-CA-C 112.485 0.55 . . . . 10.88 112.485 -179.112 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.89 -44.04 97.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.332 -0.394 . . . . 12.04 111.123 -179.675 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.58 -43.69 75.49 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.913 -0.66 . . . . 12.77 111.53 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 97.3 mt -59.8 -50.32 80.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 120.422 0.153 . . . . 11.54 110.95 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 48.7 mt -57.66 -46.93 83.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.736 0.303 . . . . 10.42 111.195 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -61.52 -31.54 78.0 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 121.156 -0.545 . . . . 12.46 113.746 -179.146 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.51 6.11 48.6 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.514 0.561 . . . . 14.12 112.514 -179.402 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 50.4 m -110.11 -174.25 2.44 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.99 0.424 . . . . 10.83 111.825 -179.546 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -72.21 -40.35 67.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.666 -0.697 . . . . 10.68 111.061 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -89.01 92.77 9.36 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.898 -0.592 . . . . 8.37 111.216 -179.166 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -133.82 127.03 31.81 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.13 -0.486 . . . . 12.83 111.22 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 89.74 1.78 76.61 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.793 -0.718 . . . . 9.82 112.937 179.369 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -130.37 162.9 28.06 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.648 -0.501 . . . . 8.93 109.648 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -112.56 168.6 9.52 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.943 -0.392 . . . . 8.72 109.943 179.709 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.553 HD11 HD11 ' B' ' 79' ' ' LEU . 26.1 tp -62.95 -31.54 72.66 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.282 -0.417 . . . . 4.7 111.323 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.443 ' HB2' ' CE1' ' A' ' 29' ' ' TYR . . . -66.57 -59.93 3.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 5.96 112.099 -179.31 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -56.99 -43.24 81.52 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.614 0.598 . . . . 7.82 112.614 -179.228 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 83.5 mt -64.38 -50.93 74.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.718 0.294 . . . . 5.79 111.109 179.634 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.776 HD21 HD12 ' B' ' 25' ' ' LEU . 4.5 tp -60.96 -39.34 89.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 5.97 111.865 -179.307 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -71.26 -27.74 63.66 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.12 0.415 . . . . 9.2 112.12 -179.657 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 54.5 m -68.39 -26.39 65.54 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.1 0.476 . . . . 7.98 110.732 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -76.4 135.78 39.46 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.948 -0.569 . . . . 7.06 110.939 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.475 ' HA ' ' HB2' ' B' ' 14' ' ' MET . 37.2 m -109.45 120.45 42.55 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.773 -0.649 . . . . 9.21 109.608 179.233 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.48 ' HA ' ' HE ' ' A' ' 88' ' ' ARG . 2.8 mmp_? -122.42 93.81 4.09 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.027 0.442 . . . . 9.55 110.825 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.49 ' HA ' ' HD3' ' A' ' 90' ' ' PRO . 3.5 t -85.72 129.71 53.67 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 115.806 -0.634 . . . . 12.15 109.956 -179.7 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.595 ' HG3' ' HD3' ' B' ' 75' ' ' LYS . 6.1 Cg_exo -78.68 105.79 2.01 Favored 'Trans proline' 0 N--CA 1.461 -0.428 0 C-N-CA 122.987 2.458 . . . . 12.82 111.922 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -89.52 43.72 1.16 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.503 0.668 . . . . 14.19 109.975 179.471 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 C--O 1.247 0.965 0 CA-C-N 115.284 -0.871 . . . . 15.67 110.038 -179.776 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 14' ' ' MET . . . . . 0.475 ' HB2' ' HA ' ' A' ' 87' ' ' SER . 60.5 ttp . . . . . 0 N--CA 1.48 1.065 0 CA-C-O 120.816 0.341 . . . . 11.23 110.63 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 36.1 ttm -95.52 41.34 1.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.028 0.442 . . . . 13.11 110.992 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 6.9 m 63.52 86.68 0.12 Allowed 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 115.465 -0.789 . . . . 11.45 111.495 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.72 115.5 4.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.586 -0.734 . . . . 8.27 111.623 -179.462 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 3.2 m -82.27 170.33 15.51 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.899 -0.591 . . . . 9.28 110.537 179.262 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 49.7 mttp -54.34 -48.99 70.79 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.415 0.524 . . . . 8.44 112.415 -179.404 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 6.0 pm0 -64.28 -36.76 85.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.716 0.293 . . . . 9.58 111.724 -179.467 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -66.47 -41.76 88.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.002 0.43 . . . . 8.61 110.24 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 96.4 mt -70.12 -42.52 79.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.914 -0.584 . . . . 4.87 109.733 179.078 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.54 ' HA ' HD12 ' B' ' 26' ' ' ILE . . . -61.43 -32.19 72.14 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.883 -0.599 . . . . 4.42 110.717 179.54 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.09 -41.5 92.63 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.138 -0.483 . . . . 5.79 110.376 179.178 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.776 HD12 HD21 ' A' ' 83' ' ' LEU . 17.5 mt -72.15 -31.93 66.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.164 -0.471 . . . . 4.52 110.434 179.058 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.54 HD12 ' HA ' ' B' ' 23' ' ' ALA . 92.6 mt -65.98 -51.06 65.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.865 -0.607 . . . . 4.37 110.424 179.283 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 34.5 m -67.21 -32.79 59.18 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-N 116.409 -0.36 . . . . 6.25 110.554 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -65.36 -43.89 89.36 Favored 'General case' 0 CA--C 1.52 -0.181 0 N-CA-C 109.209 -0.663 . . . . 6.91 109.209 178.28 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' TYR . . . . . 0.401 ' O ' HG13 ' B' ' 33' ' ' ILE . 59.2 t80 -60.23 -47.63 85.14 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.471 -0.786 . . . . 7.07 110.586 179.523 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 18.6 m-30 -59.81 -42.99 94.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 8.36 110.603 179.508 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' SER . . . . . 0.468 ' HA ' HG22 ' B' ' 34' ' ' VAL . 28.9 m -64.07 -37.41 87.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.001 -0.545 . . . . 9.5 110.83 179.267 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 19.8 m -65.29 -20.03 66.23 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 121.198 0.523 . . . . 9.77 111.19 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.653 HG23 ' HB3' ' B' ' 38' ' ' GLU . 71.3 mt -86.51 -41.07 14.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.965 0.412 . . . . 11.09 110.402 179.457 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 34' ' ' VAL . . . . . 0.468 HG22 ' HA ' ' B' ' 31' ' ' SER . 31.9 m -77.03 -35.37 23.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 113.214 0.82 . . . . 12.38 113.214 -178.8 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -57.46 -40.49 78.63 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 112.609 0.596 . . . . 13.19 112.609 -179.16 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -101.24 6.08 42.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.602 0.239 . . . . 13.7 111.46 -179.469 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 21.3 ttmm 54.82 66.26 1.28 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.538 0.685 . . . . 15.86 111.734 -179.598 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' GLU . . . . . 0.653 ' HB3' HG23 ' B' ' 33' ' ' ILE . 31.3 tt0 -97.82 -0.75 44.6 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.577 -0.738 . . . . 12.56 109.732 179.619 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 20.7 tt -133.15 159.92 42.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.386 -0.824 . . . . 13.67 109.852 -179.279 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 29.8 p -67.76 160.62 27.81 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.781 0.324 . . . . 15.14 110.653 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' GLU . . . . . 0.453 ' HB3' ' NZ ' ' C' ' 31' ' ' LYS . 9.4 mp0 -58.49 -39.66 80.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.393 -0.367 . . . . 16.66 110.947 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.73 -42.78 99.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 15.52 110.192 179.455 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.77 -40.54 64.78 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.688 -0.768 . . . . 13.17 111.487 179.378 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.75 -43.82 98.1 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.784 0.326 . . . . 12.42 110.776 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 45' ' ' ASP . . . . . 0.859 ' HB3' ' HB ' ' C' ' 27' ' ' ILE . 0.7 OUTLIER -61.23 -42.3 98.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.086 -0.506 . . . . 13.38 110.274 179.321 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 9.1 m -66.25 -42.6 88.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.829 -0.623 . . . . 11.72 110.834 179.463 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 24.0 mt -65.27 -33.94 77.17 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.214 -0.448 . . . . 9.64 110.875 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -58.1 -50.91 71.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.931 -0.577 . . . . 11.12 110.353 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 40.8 t -67.07 -44.25 88.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.016 -0.538 . . . . 10.04 110.818 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 50' ' ' ALA . . . . . 0.475 ' HB2' ' HB2' ' A' ' 53' ' ' CYS . . . -59.74 -44.15 93.93 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.101 -0.499 . . . . 8.26 111.346 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 30.4 ttm -60.64 -44.54 96.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 7.93 110.787 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.57 -42.86 98.31 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.65 -0.705 . . . . 9.48 110.279 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 3.8 t -62.05 -40.63 96.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.454 -0.794 . . . . 8.11 110.909 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 54' ' ' ILE . . . . . 0.434 HD11 HD11 ' A' ' 54' ' ' ILE . 97.1 mt -62.21 -35.71 70.55 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-O 121.13 0.491 . . . . 6.13 110.525 179.546 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 55' ' ' SER . . . . . 0.45 ' HA ' ' CE1' ' B' ' 60' ' ' PHE . 14.3 m -61.54 -50.13 73.89 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.64 -0.709 . . . . 7.39 111.38 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -74.55 -16.2 60.83 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.241 0.46 . . . . 8.81 112.241 -179.434 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 57' ' ' ALA . . . . . 0.517 ' HB2' ' HB2' ' A' ' 46' ' ' SER . . . -72.84 -45.23 59.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.332 -0.394 . . . . 7.38 111.215 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -88.28 -19.12 27.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 8.09 111.887 -179.288 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 93.46 43.83 3.88 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.884 -0.674 . . . . 9.43 113.631 178.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 60' ' ' PHE . . . . . 0.45 ' CE1' ' HA ' ' B' ' 55' ' ' SER . 40.0 p90 -136.37 150.13 48.67 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.661 0.267 . . . . 8.7 110.364 179.135 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.93 140.84 36.53 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.96 0.409 . . . . 11.16 110.771 -179.599 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 61.0 ttt180 -63.1 -45.59 91.35 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.39 -0.823 . . . . 10.74 111.204 -179.162 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -85.74 15.53 4.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.863 0.364 . . . . 11.8 111.86 -179.614 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -115.42 6.41 14.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.026 0.441 . . . . 10.53 110.48 179.313 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 11.3 p -59.51 -27.1 36.42 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 CA-C-N 115.711 -0.677 . . . . 9.11 111.545 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.05 -43.55 95.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 10.71 110.876 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -66.94 -25.08 73.21 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 121.049 -0.596 . . . . 11.05 112.013 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 57.2 mt -79.02 -53.84 12.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 110.007 -0.368 . . . . 9.74 110.007 179.297 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 74.7 mt -61.95 -36.76 82.38 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.255 -0.429 . . . . 9.17 111.663 -179.667 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -70.98 -27.12 72.71 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.808 -0.711 . . . . 11.56 112.244 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 3.0 ttmp? -85.16 -48.19 9.39 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.762 0.315 . . . . 12.46 110.463 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 49.0 m -68.58 169.21 11.44 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.028 -0.533 . . . . 9.82 111.253 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -68.27 -17.58 64.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.369 -0.378 . . . . 10.24 111.784 -179.558 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -79.3 48.45 0.89 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.015 0.436 . . . . 7.68 111.782 -179.035 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 75' ' ' LYS . . . . . 0.595 ' HD3' ' HG3' ' A' ' 90' ' ' PRO . 0.0 OUTLIER -94.65 124.03 38.44 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.919 0.39 . . . . 11.56 110.615 179.7 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 74.99 29.15 61.2 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.976 -0.63 . . . . 8.65 111.985 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 20.7 mm-40 -140.38 161.4 37.79 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.653 -0.499 . . . . 7.58 109.653 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 5.7 m80 -127.51 165.79 19.19 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.972 -0.381 . . . . 7.9 109.972 179.503 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.553 HD11 HD11 ' A' ' 79' ' ' LEU . 18.8 tp -62.5 -32.74 73.7 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.095 -0.502 . . . . 4.14 111.655 -179.652 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.17 -59.08 3.74 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.381 0.512 . . . . 5.79 112.381 -178.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -57.76 -47.1 83.44 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 112.678 0.621 . . . . 6.75 112.678 -179.317 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 82.0 mt -60.39 -46.85 94.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.649 -0.25 . . . . 4.76 111.333 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 83' ' ' LEU . . . . . 0.602 HD21 HD12 ' A' ' 25' ' ' LEU . 1.4 tp -62.24 -40.33 95.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.707 0.289 . . . . 5.48 111.589 -179.497 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -67.74 -39.77 84.21 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.699 0.285 . . . . 7.63 111.441 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 91.8 p -68.24 -40.42 81.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.734 0.302 . . . . 6.84 111.764 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -86.23 77.44 9.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.199 0.523 . . . . 6.55 110.532 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 1.3 m -92.79 154.52 18.23 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.917 -0.583 . . . . 8.4 111.099 -179.389 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 15.5 mmm-85 -134.28 126.72 30.36 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.196 -0.456 . . . . 10.35 110.004 179.498 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 38.6 t -84.17 112.17 39.15 Favored Pre-proline 0 C--N 1.326 -0.416 0 N-CA-C 110.045 -0.354 . . . . 11.96 110.045 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo . . . . . 0 N--CA 1.46 -0.493 0 C-N-CA 122.553 2.169 . . . . 13.1 111.92 -179.84 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 20' ' ' VAL . . . . . 0.445 HG12 ' HG ' ' C' ' 22' ' ' LEU . 17.6 t . . . . . 0 C--O 1.232 0.165 0 CA-C-O 121.173 0.511 . . . . 9.95 110.221 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 21' ' ' HIS . . . . . . . . . . . . . 17.6 t60 -87.9 102.81 15.07 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.015 -0.539 . . . . 9.34 110.395 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 22' ' ' LEU . . . . . 0.445 ' HG ' HG12 ' C' ' 20' ' ' VAL . 95.3 mt -111.44 144.99 39.76 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.425 -0.352 . . . . 6.88 111.049 -179.642 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 23' ' ' THR . . . . . 0.434 ' HB ' ' HA ' ' C' ' 89' ' ' THR . 4.0 m -101.57 116.18 32.19 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.847 -0.615 . . . . 8.91 109.973 179.325 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 24' ' ' LEU . . . . . 0.554 ' HB2' HG13 ' C' ' 34' ' ' ILE . 50.4 mt -97.69 117.12 31.26 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 110.12 -0.326 . . . . 8.66 110.12 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 25' ' ' LYS . . . . . 0.442 ' HA ' ' O ' ' C' ' 32' ' ' PHE . 18.2 tptm -136.31 125.32 24.33 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.281 -0.418 . . . . 13.38 111.411 -179.368 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 26' ' ' LYS . . . . . 0.564 ' HG2' ' O ' ' C' ' 28' ' ' GLN . 8.5 ttpp -85.59 120.45 27.05 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.195 -0.668 . . . . 14.09 109.195 178.114 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 27' ' ' ILE . . . . . 0.859 ' HB ' ' HB3' ' B' ' 45' ' ' ASP . 42.2 pt -73.96 -10.63 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 113.11 0.781 . . . . 14.88 113.11 -178.262 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 28' ' ' GLN . . . . . 0.564 ' O ' ' HG2' ' C' ' 26' ' ' LYS . 97.7 mt-30 -125.72 149.94 48.1 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 121.287 -0.165 . . . . 15.23 110.741 -179.636 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.9 133.61 48.29 Favored Pre-proline 0 N--CA 1.466 0.369 0 N-CA-C 113.029 0.751 . . . . 18.5 113.029 -178.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 30' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -79.02 134.79 33.76 Favored 'Cis proline' 0 C--N 1.346 0.397 0 C-N-CA 123.451 -1.479 . . . . 17.48 111.35 -0.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 31' ' ' LYS . . . . . 0.463 ' HE2' ' O ' ' C' ' 27' ' ' ILE . 83.7 mttt -88.44 113.79 24.39 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.141 0.496 . . . . 17.53 111.3 -179.769 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 32' ' ' PHE . . . . . 0.442 ' O ' ' HA ' ' C' ' 25' ' ' LYS . 50.9 p90 -127.77 149.91 50.04 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.913 -0.585 . . . . 13.5 110.632 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 33' ' ' SER . . . . . . . . . . . . . 73.6 m -124.69 113.24 17.73 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.636 -0.505 . . . . 12.36 109.636 179.177 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 34' ' ' ILE . . . . . 0.554 HG13 ' HB2' ' C' ' 24' ' ' LEU . 45.9 pt -129.41 142.32 44.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.78 0.324 . . . . 10.72 110.822 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 35' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -121.12 139.02 53.9 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.319 -0.4 . . . . 10.54 110.62 179.482 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 36' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -152.85 141.62 21.04 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.254 -0.43 . . . . 9.85 110.247 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -88.85 111.39 22.0 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.004 -0.543 . . . . 9.77 110.404 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 38' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -100.99 172.95 6.71 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.589 -0.523 . . . . 9.82 109.589 179.545 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 39' ' ' SER . . . . . 0.517 ' O ' ' HB2' ' C' ' 42' ' ' ASP . 59.7 p -97.64 153.9 38.12 Favored Pre-proline 0 C--N 1.321 -0.661 0 N-CA-C 109.389 -0.597 . . . . 11.97 109.389 179.401 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_endo -63.69 -22.07 69.9 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.026 1.817 . . . . 12.89 110.531 179.294 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.92 -6.55 59.2 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.095 -0.957 . . . . 14.42 111.133 179.734 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 42' ' ' ASP . . . . . 0.517 ' HB2' ' O ' ' C' ' 39' ' ' SER . 1.2 m-20 -75.3 156.48 35.55 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 116.301 -0.409 . . . . 11.77 110.415 179.589 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 40.3 p -114.76 169.63 8.93 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.247 -0.433 . . . . 11.4 109.908 179.682 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 44' ' ' ILE . . . . . 0.459 HD11 HD21 ' C' ' 81' ' ' LEU . 45.7 mm -63.08 -30.08 48.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.337 -0.616 . . . . 7.86 109.337 178.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 45' ' ' LEU . . . . . 0.545 ' O ' ' HG3' ' C' ' 49' ' ' GLN . 36.3 tp -60.3 -45.27 93.98 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.692 -0.685 . . . . 12.88 110.085 178.813 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 46' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -61.49 -38.11 86.1 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.196 -0.456 . . . . 12.18 110.757 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 47' ' ' ILE . . . . . 0.419 HD11 HD21 ' C' ' 78' ' ' LEU . 66.0 mt -62.03 -42.18 93.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 109.615 -0.513 . . . . 8.04 109.615 178.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -65.0 -44.45 89.2 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.648 -0.706 . . . . 10.51 109.882 179.19 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 49' ' ' GLN . . . . . 0.545 ' HG3' ' O ' ' C' ' 45' ' ' LEU . 52.1 mt-30 -59.4 -36.26 75.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.961 -0.563 . . . . 13.94 110.625 179.688 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 50' ' ' HIS . . . . . 0.404 ' O ' ' HG2' ' C' ' 54' ' ' GLU . 7.9 t60 -65.13 -31.54 72.78 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.853 -0.612 . . . . 11.16 111.274 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 94.5 mt -66.3 -28.52 68.75 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.192 0.52 . . . . 12.37 109.945 179.371 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 52' ' ' ILE . . . . . . . . . . . . . 72.5 mt -73.32 -41.52 57.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.499 -0.773 . . . . 15.35 109.59 178.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -63.74 -28.38 69.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.2 0.524 . . . . 15.02 110.689 179.499 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 54' ' ' GLU . . . . . 0.536 ' O ' ' HE2' ' C' ' 56' ' ' LYS . 58.1 mm-40 -85.7 -3.89 59.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.946 -0.57 . . . . 14.38 110.744 179.287 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 65.45 37.16 6.3 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.138 0.494 . . . . 18.85 111.294 -179.331 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 56' ' ' LYS . . . . . 0.536 ' HE2' ' O ' ' C' ' 54' ' ' GLU . 64.3 mmtt -106.67 -11.44 15.83 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.966 -0.561 . . . . 14.47 111.238 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 57' ' ' ALA . . . . . 0.536 ' HB2' HD13 ' C' ' 94' ' ' ILE . . . -150.51 156.63 41.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 15.28 110.562 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 58' ' ' SER . . . . . 0.639 ' HB2' ' OE1' ' C' ' 62' ' ' GLU . 3.2 m -81.3 -81.13 0.14 Allowed 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.202 -0.454 . . . . 17.75 111.314 179.752 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 59' ' ' HIS . . . . . 0.549 ' HB2' ' OE2' ' C' ' 62' ' ' GLU . 43.8 m-70 -117.71 172.9 7.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.893 0.378 . . . . 19.22 111.347 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 45.6 mm -64.87 -34.33 69.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.798 -0.637 . . . . 13.8 111.497 -179.331 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.7 -31.64 68.43 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.715 0.635 . . . . 14.67 112.715 -178.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 62' ' ' GLU . . . . . 0.639 ' OE1' ' HB2' ' C' ' 58' ' ' SER . 1.8 mp0 -89.84 -5.65 56.65 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.997 0.427 . . . . 16.71 112.148 -178.701 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 63' ' ' ILE . . . . . . . . . . . . . 51.6 mt -93.08 100.3 11.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 N-CA-C 112.734 0.642 . . . . 10.79 112.734 -178.761 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 64' ' ' LYS . . . . . 0.475 ' HB3' ' O ' ' C' ' 93' ' ' MET . 73.8 tttt -98.83 117.41 33.25 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.69 -0.855 . . . . 9.73 108.69 178.404 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 57.0 mt -112.02 144.14 41.86 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.769 0.319 . . . . 5.89 111.363 -179.299 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 66' ' ' LEU . . . . . 0.556 ' HB2' ' HB ' ' C' ' 91' ' ' THR . 5.2 mp -135.49 164.89 26.77 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.903 -0.589 . . . . 7.57 110.293 179.723 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 67' ' ' LEU . . . . . 0.431 ' HB2' HD21 ' C' ' 72' ' ' LEU . 48.6 tp -136.89 89.94 2.49 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.47 -0.567 . . . . 7.44 109.47 178.789 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 4.8 mmmt 73.86 -50.32 0.69 Allowed 'General case' 0 N--CA 1.467 0.411 0 O-C-N 123.741 0.65 . . . . 12.88 112.277 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . -152.93 -41.49 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.991 -0.623 . . . . 8.93 112.406 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 70' ' ' LYS . . . . . . . . . . . . . 10.7 tptt -82.47 156.42 24.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.702 0.287 . . . . 9.44 110.927 -179.616 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 71' ' ' VAL . . . . . . . . . . . . . 9.0 m -86.29 148.85 4.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.142 -0.481 . . . . 7.05 110.975 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 72' ' ' LEU . . . . . 0.431 HD21 ' HB2' ' C' ' 67' ' ' LEU . 83.3 mt -95.74 120.31 35.77 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.069 0.462 . . . . 5.9 110.685 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 73' ' ' HIS . . . . . . . . . . . . . 69.5 m-70 -88.42 138.02 31.8 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.927 -0.579 . . . . 8.93 110.075 -179.362 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 74' ' ' ASP . . . . . 0.483 ' HB3' ' HB2' ' C' ' 45' ' ' LEU . 1.6 m-20 -51.42 -41.05 60.51 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 113.183 0.809 . . . . 9.91 113.183 -178.185 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 75' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -76.26 5.54 6.83 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 113.443 0.905 . . . . 13.36 113.443 -178.494 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 76' ' ' LEU . . . . . . . . . . . . . 20.4 tp -86.52 134.65 33.65 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.925 0.393 . . . . 9.58 110.976 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -88.0 152.49 22.0 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.834 -0.621 . . . . 14.32 110.202 179.516 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 78' ' ' LEU . . . . . 0.45 ' HA ' ' HG ' ' C' ' 81' ' ' LEU . 11.3 mt -64.85 -21.46 66.8 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.449 0.537 . . . . 9.53 112.449 -179.214 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 79' ' ' SER . . . . . . . . . . . . . 1.7 m -66.97 -19.7 65.76 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 112.037 0.384 . . . . 12.75 112.037 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 80' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -93.71 -18.43 22.12 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.007 0.373 . . . . 12.44 112.007 -179.229 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 81' ' ' LEU . . . . . 0.459 HD21 HD11 ' C' ' 44' ' ' ILE . 26.3 mt -53.21 124.1 13.63 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.103 -0.498 . . . . 10.15 112.27 -178.85 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 82' ' ' LYS . . . . . . . . . . . . . 40.2 mmtm -82.02 62.13 5.64 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.799 -0.637 . . . . 12.59 110.049 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 8.8 m -104.6 126.68 59.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.464 0.65 . . . . 11.5 111.758 -179.288 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 84' ' ' THR . . . . . 0.471 ' HB ' ' HD2' ' C' ' 85' ' ' PRO . 30.5 p -116.21 175.31 1.99 Allowed Pre-proline 0 C--N 1.322 -0.628 0 N-CA-C 108.362 -0.977 . . . . 13.96 108.362 179.079 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 85' ' ' PRO . . . . . 0.471 ' HD2' ' HB ' ' C' ' 84' ' ' THR . 51.6 Cg_exo -59.03 -18.02 41.01 Favored 'Trans proline' 0 CA--C 1.533 0.441 0 C-N-CA 122.161 1.908 . . . . 14.91 111.886 178.783 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -89.21 -27.51 20.59 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.156 -0.474 . . . . 15.11 111.549 179.636 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 87' ' ' ASN . . . . . . . . . . . . . 14.4 p-10 -131.3 96.4 4.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.541 0.686 . . . . 12.35 111.876 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 88' ' ' SER . . . . . . . . . . . . . 1.2 m -122.1 7.67 9.76 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.322 0.582 . . . . 10.32 109.986 179.378 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 89' ' ' THR . . . . . 0.434 ' HA ' ' HB ' ' C' ' 23' ' ' THR . 2.8 m -93.74 130.05 39.86 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.422 -0.808 . . . . 9.82 111.312 -179.288 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 90' ' ' ILE . . . . . . . . . . . . . 49.4 mm -94.79 130.88 43.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 108.98 -0.748 . . . . 6.59 108.98 178.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 91' ' ' THR . . . . . 0.556 ' HB ' ' HB2' ' C' ' 66' ' ' LEU . 2.0 m -80.89 103.3 10.63 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.024 0.44 . . . . 8.75 111.097 -179.315 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 92' ' ' VAL . . . . . 0.472 ' HB ' ' HA ' ' C' ' 26' ' ' LYS . 42.2 t -93.37 117.42 36.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.167 -0.47 . . . . 9.58 109.925 179.748 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 93' ' ' MET . . . . . 0.475 ' O ' ' HB3' ' C' ' 64' ' ' LYS . 6.3 ttt -126.5 58.97 1.37 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.389 -0.369 . . . . 10.9 110.828 -179.458 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 94' ' ' ILE . . . . . 0.536 HD13 ' HB2' ' C' ' 57' ' ' ALA . 92.8 mt -56.36 130.39 18.94 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 CA-C-N 116.112 -0.494 . . . . 13.44 111.012 179.66 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 95' ' ' LYS . . . . . 0.517 ' O ' ' HB3' ' C' ' 62' ' ' GLU . 75.3 mmtt . . . . . 0 C--N 1.326 -0.436 0 CA-C-N 115.9 -0.591 . . . . 14.6 110.698 -179.194 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.9 m . . . . . 0 CA--C 1.52 -0.189 0 CA-C-O 120.645 0.259 . . . . 10.77 110.487 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.617 ' HB2' ' HB2' ' B' ' 84' ' ' ASN . . . 57.86 42.23 23.5 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.344 0.593 . . . . 8.07 109.689 -178.81 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.43 ' HB2' ' HB2' ' A' ' 21' ' ' GLU . 0.7 OUTLIER -58.1 152.88 15.84 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.975 -1.012 . . . . 10.11 110.929 -179.254 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 40.3 mmtm -55.64 -47.01 77.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 10.66 111.332 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -75.79 -29.31 58.69 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.575 -0.284 . . . . 11.43 110.999 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.43 ' HB2' ' HB2' ' A' ' 18' ' ' SER . 59.0 tt0 -58.48 -39.19 79.31 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 121.389 0.614 . . . . 8.91 109.656 179.464 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 52.2 mt -87.12 -43.48 15.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.503 -0.771 . . . . 6.35 110.895 179.69 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.91 -41.9 75.25 Favored 'General case' 0 C--O 1.234 0.239 0 N-CA-C 112.113 0.412 . . . . 7.12 112.113 -179.317 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.49 -40.57 87.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.883 0.373 . . . . 7.6 111.211 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 91.5 mt -70.48 -33.92 71.79 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.179 -0.464 . . . . 5.59 111.248 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 91.3 mt -65.74 -53.05 42.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.148 -0.478 . . . . 4.33 110.664 179.635 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 20.2 m -66.4 -32.6 58.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.481 -0.327 . . . . 6.96 111.16 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -64.08 -37.37 87.19 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.235 0.54 . . . . 7.34 109.56 178.72 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.445 ' O ' HG13 ' A' ' 33' ' ' ILE . 44.9 t80 -64.73 -49.69 69.82 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.667 -0.697 . . . . 5.51 110.045 179.139 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.2 m-30 -60.76 -44.26 96.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.121 -0.49 . . . . 6.35 111.332 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.8 m -60.1 -39.72 87.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 8.01 111.298 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.562 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 24.6 m -68.35 -34.72 76.59 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.396 -0.366 . . . . 8.27 111.412 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.445 HG13 ' O ' ' A' ' 29' ' ' TYR . 98.3 mt -61.03 -45.28 98.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.536 -0.302 . . . . 8.37 111.549 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.446 HG13 HD12 ' A' ' 47' ' ' LEU . 2.9 m -74.97 -28.24 20.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 C-N-CA 120.989 -0.284 . . . . 9.63 111.746 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -61.26 -43.58 98.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.958 0.409 . . . . 10.98 111.311 179.652 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.562 ' HG2' ' O ' ' A' ' 32' ' ' SER . 18.7 pttt -94.46 5.44 51.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.022 -0.535 . . . . 11.09 110.782 179.592 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.0 mttm 51.57 54.54 10.84 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.522 -0.763 . . . . 11.72 112.757 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.438 ' HG3' ' HG3' ' A' ' 36' ' ' LYS . 7.5 mt-10 -87.51 -29.06 21.63 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.16 -0.473 . . . . 9.58 110.968 179.38 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.462 HD11 ' HB1' ' B' ' 57' ' ' ALA . 12.9 tt -86.73 164.16 2.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.154 -0.476 . . . . 9.5 110.516 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.1 p -72.71 165.87 23.95 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.968 0.413 . . . . 9.96 111.477 -179.559 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -62.62 -35.97 81.29 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.782 -0.645 . . . . 11.9 110.531 179.54 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.62 -30.79 61.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.991 -0.55 . . . . 10.3 110.857 -179.711 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -75.41 -14.6 81.82 Favored Glycine 0 C--N 1.33 0.235 0 CA-C-N 115.955 -0.566 . . . . 8.47 112.981 -179.55 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.87 -41.58 99.44 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.895 0.379 . . . . 8.42 110.257 179.573 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.753 ' HB3' ' H ' ' C' ' 71' ' ' VAL . 5.0 m-20 -62.49 -40.53 96.99 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.759 -0.655 . . . . 9.73 110.049 179.515 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -63.06 -43.94 97.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.534 -0.757 . . . . 7.86 111.471 -179.443 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.446 HD12 HG13 ' A' ' 34' ' ' VAL . 23.0 mt -66.94 -35.46 80.02 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.993 -0.283 . . . . 6.77 111.002 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -59.8 -52.8 63.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.102 -0.499 . . . . 9.39 110.874 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.673 HG21 HD13 ' C' ' 66' ' ' LEU . 7.8 p -69.39 -40.01 79.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 112.425 0.528 . . . . 9.6 112.425 -179.186 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.76 -48.61 80.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.795 0.331 . . . . 7.62 110.336 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 36.3 ttm -63.25 -40.69 98.14 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.858 -0.61 . . . . 8.19 110.388 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -61.68 -50.56 72.01 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.568 -0.742 . . . . 11.12 110.941 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 91.7 m -64.91 -38.57 91.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.325 -0.398 . . . . 9.77 111.822 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 65.3 mt -61.85 -36.65 75.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-O 121.043 0.449 . . . . 9.06 110.365 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 32.9 m -59.92 -53.7 54.83 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.678 -0.692 . . . . 10.96 111.797 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -71.01 -26.39 63.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.854 0.359 . . . . 12.89 111.903 -179.426 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.08 -48.52 67.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.134 -0.485 . . . . 11.68 111.239 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -83.47 -13.82 53.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.47 -0.332 . . . . 11.93 111.685 -179.566 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.03 45.95 6.87 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.683 -0.77 . . . . 13.13 113.006 179.105 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 20.1 p90 -144.66 141.63 29.5 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.115 -0.328 . . . . 12.01 110.115 179.323 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -73.21 146.22 45.68 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.679 -0.489 . . . . 14.85 109.679 179.161 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 17.3 ttp180 -57.58 -43.49 84.64 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.082 0.468 . . . . 11.66 110.779 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 51.7 mp0 -76.08 -3.41 35.8 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.773 -0.649 . . . . 13.0 111.731 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.95 -1.0 57.89 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.866 0.365 . . . . 12.82 111.198 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 14.4 p -60.89 -33.38 55.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 10.88 110.983 179.662 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.5 m -64.15 -39.0 93.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.037 -0.528 . . . . 12.04 111.067 179.652 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.33 -40.96 69.21 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.949 -0.643 . . . . 12.77 111.675 179.508 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 64.4 mt -62.96 -45.1 99.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.952 0.406 . . . . 11.54 110.377 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.438 ' O ' ' HB3' ' A' ' 75' ' ' LYS . 68.2 mt -69.98 -23.57 63.19 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.141 -0.481 . . . . 10.42 110.982 179.704 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -72.71 -34.43 59.64 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.952 -0.642 . . . . 12.46 112.875 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.2 ptpt -91.46 -27.57 18.18 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.211 0.448 . . . . 14.12 112.211 -179.442 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.8 m -87.64 147.58 25.21 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.614 -0.266 . . . . 10.83 110.696 -179.602 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.41 ' OE1' ' HD2' ' B' ' 90' ' ' PRO . 77.3 mm-40 -77.15 54.75 1.1 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.494 0.664 . . . . 10.68 111.525 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -139.77 11.7 2.47 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.428 -0.805 . . . . 8.37 109.246 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.438 ' HB3' ' O ' ' A' ' 69' ' ' LEU . 5.2 ptmt -64.02 132.88 51.92 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.99 -1.005 . . . . 12.83 111.365 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 79.3 18.93 73.02 Favored Glycine 0 N--CA 1.449 -0.438 0 CA-C-N 115.747 -0.66 . . . . 9.82 112.732 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -133.11 149.36 52.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.827 0.346 . . . . 8.93 111.243 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 17.0 m80 -115.69 163.25 16.08 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.96 -0.756 . . . . 8.72 108.96 179.151 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.415 HD11 HD11 ' B' ' 79' ' ' LEU . 21.7 tp -56.14 -40.24 73.5 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.834 0.679 . . . . 4.7 112.834 -179.021 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.87 -44.78 84.34 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.363 0.505 . . . . 5.96 112.363 -179.009 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -58.66 -53.52 57.38 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.098 0.475 . . . . 7.82 110.912 -179.188 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 41.0 mt -61.69 -47.12 94.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.489 -0.778 . . . . 5.79 112.09 -178.786 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.582 HD21 HD12 ' B' ' 25' ' ' LEU . 14.5 tp -60.2 -43.68 95.75 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.528 0.566 . . . . 5.97 112.528 -178.544 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -71.49 -28.0 63.62 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.925 -0.31 . . . . 9.2 111.301 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.5 m -75.82 -43.92 43.63 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.414 -0.357 . . . . 7.98 110.909 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -103.61 92.18 4.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.103 0.478 . . . . 7.06 110.885 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.726 ' HG ' ' N ' ' B' ' 14' ' ' MET . 3.4 m -119.74 175.34 5.92 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.036 -0.529 . . . . 9.21 110.573 -179.739 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 88' ' ' ARG . 0.2 OUTLIER -133.51 159.99 38.76 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.7 -0.227 . . . . 9.55 110.628 -179.817 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.44 ' HA ' ' HD3' ' A' ' 90' ' ' PRO . 45.9 t -106.75 118.75 53.53 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 116.157 -0.474 . . . . 12.15 109.911 179.395 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 89' ' ' VAL . 5.4 Cg_exo -74.47 91.25 0.98 Allowed 'Trans proline' 0 N--CA 1.465 -0.196 0 C-N-CA 123.168 2.579 . . . . 12.82 112.324 -179.585 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -86.25 115.74 23.99 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.334 -0.393 . . . . 14.19 111.08 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 36.7 m . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.143 -0.932 . . . . 15.67 110.475 179.201 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 14' ' ' MET . . . . . 0.726 ' N ' ' HG ' ' A' ' 87' ' ' SER . 46.4 ttp . . . . . 0 N--CA 1.482 1.147 0 CA-C-O 120.547 0.213 . . . . 11.23 111.343 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 16.5 mmt -99.42 43.5 1.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.808 -0.178 . . . . 13.11 111.224 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 1.4 m 63.01 90.73 0.08 Allowed 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.278 -0.419 . . . . 11.45 111.072 -179.43 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.89 109.64 0.99 Allowed 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.076 -0.511 . . . . 8.27 111.353 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' SER . . . . . 0.641 ' HB2' ' HG3' ' B' ' 21' ' ' GLU . 3.4 m -77.98 161.56 27.42 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.896 -0.593 . . . . 9.28 111.308 -179.709 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 19' ' ' LYS . . . . . 0.443 ' H ' ' HG2' ' B' ' 19' ' ' LYS . 20.4 mmtp -53.24 -50.81 63.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.007 -0.542 . . . . 8.44 112.065 -179.349 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 8.1 pm0 -63.79 -34.79 78.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 9.58 111.846 -179.188 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.641 ' HG3' ' HB2' ' B' ' 18' ' ' SER . 26.7 mt-10 -68.9 -40.29 79.24 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.101 -0.499 . . . . 8.61 110.331 -179.723 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.575 HG12 HD23 ' A' ' 83' ' ' LEU . 82.1 mt -69.27 -42.19 81.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 109.317 -0.623 . . . . 4.87 109.317 178.712 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.532 ' HA ' HD12 ' B' ' 26' ' ' ILE . . . -62.03 -33.09 73.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.709 -0.678 . . . . 4.42 111.015 179.665 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.52 -39.58 88.32 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.277 -0.419 . . . . 5.79 110.474 179.384 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.582 HD12 HD21 ' A' ' 83' ' ' LEU . 70.5 mt -73.32 -31.81 64.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.186 -0.461 . . . . 4.52 110.364 179.331 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.532 HD12 ' HA ' ' B' ' 23' ' ' ALA . 94.8 mt -63.98 -51.79 64.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.818 -0.628 . . . . 4.37 110.007 179.281 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 18.8 m -67.48 -33.52 62.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.398 -0.364 . . . . 6.25 110.684 179.361 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -62.26 -39.42 92.84 Favored 'General case' 0 CA--C 1.52 -0.184 0 N-CA-C 109.457 -0.572 . . . . 6.91 109.457 178.511 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -62.3 -48.9 77.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.848 -0.614 . . . . 7.07 110.238 179.281 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -64.08 -40.65 96.7 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.284 -0.416 . . . . 8.36 110.827 179.554 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 50.6 m -62.69 -37.81 87.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 9.5 110.293 179.224 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 43.8 m -68.89 -20.64 64.25 Favored 'General case' 0 C--O 1.225 -0.204 0 CA-C-N 115.934 -0.576 . . . . 9.77 110.586 179.293 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.805 HG23 ' HB2' ' B' ' 38' ' ' GLU . 95.1 mt -84.3 -44.5 17.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.302 -0.408 . . . . 11.09 110.594 179.596 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 29.1 m -71.56 -33.18 48.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 113.262 0.838 . . . . 12.38 113.262 -178.763 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -61.2 -42.94 99.47 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 112.38 0.511 . . . . 13.19 112.38 -179.434 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' LYS . . . . . 0.448 ' H ' ' HG2' ' B' ' 36' ' ' LYS . 0.0 OUTLIER -101.74 10.72 39.76 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.031 0.444 . . . . 13.7 110.925 179.332 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 17.6 ttmm 47.92 69.43 0.53 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.037 -0.983 . . . . 15.86 113.332 179.337 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 38' ' ' GLU . . . . . 0.805 ' HB2' HG23 ' B' ' 33' ' ' ILE . 36.0 mt-10 -88.65 -11.3 45.74 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.486 0.66 . . . . 12.56 109.525 178.608 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 17.1 tt -120.92 163.3 18.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.348 -0.842 . . . . 13.67 110.014 -179.155 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.23 161.69 29.68 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.716 0.293 . . . . 15.14 110.996 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.8 -28.36 63.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.437 . . . . 16.66 112.177 -179.569 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.43 -62.15 1.87 Allowed 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 110.286 -0.264 . . . . 15.52 110.286 178.777 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.32 -30.76 74.96 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 121.198 -0.525 . . . . 13.17 112.127 179.305 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.08 -38.76 92.45 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.773 0.32 . . . . 12.42 110.464 179.102 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.48 -42.32 92.32 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.199 -0.667 . . . . 13.38 109.199 179.344 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 46' ' ' SER . . . . . 0.577 ' HA ' HD12 ' C' ' 27' ' ' ILE . 0.7 OUTLIER -63.9 -47.77 79.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.595 -0.73 . . . . 11.72 110.793 179.327 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 86.6 mt -64.98 -31.73 73.11 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.295 -0.412 . . . . 9.64 111.352 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -54.95 -49.23 71.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.946 -0.57 . . . . 11.12 110.82 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 7.8 p -83.38 -35.71 12.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.268 -0.424 . . . . 10.04 111.209 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.11 -40.4 89.54 Favored 'General case' 0 N--CA 1.462 0.164 0 N-CA-C 112.061 0.393 . . . . 8.26 112.061 -179.321 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 46.6 mtm -61.79 -38.51 88.38 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-O 120.763 0.316 . . . . 7.93 111.295 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -66.99 -31.34 71.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.082 -0.508 . . . . 9.48 110.82 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 30.2 m -65.42 -34.34 78.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.953 -0.567 . . . . 8.11 110.584 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 71.4 mt -68.65 -44.56 82.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.936 -0.575 . . . . 6.13 111.307 -179.562 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.81 -50.82 72.0 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 112.55 0.574 . . . . 7.39 112.55 -179.126 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -68.31 -33.18 73.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.254 -0.43 . . . . 8.81 112.066 -178.682 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 57' ' ' ALA . . . . . 0.462 ' HB1' HD11 ' A' ' 39' ' ' ILE . . . -70.68 -52.8 18.69 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.131 0.419 . . . . 7.38 112.131 -179.441 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -71.81 -38.33 70.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.574 -0.284 . . . . 8.09 111.664 -179.415 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 106.86 59.86 0.58 Allowed Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.297 -0.954 . . . . 9.43 112.839 179.544 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -156.81 152.29 26.71 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.863 -0.421 . . . . 8.7 109.863 179.051 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 61' ' ' GLU . . . . . 0.602 ' HB3' ' HB3' ' B' ' 64' ' ' ALA . 0.3 OUTLIER -76.78 132.68 39.38 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.969 0.414 . . . . 11.16 111.089 -179.924 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 19.0 ttp-105 -70.64 -33.92 71.51 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.341 -0.845 . . . . 10.74 110.574 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -90.42 2.01 56.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.108 0.48 . . . . 11.8 111.546 -179.473 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 64' ' ' ALA . . . . . 0.602 ' HB3' ' HB3' ' B' ' 61' ' ' GLU . . . -122.82 28.55 7.22 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.216 -0.447 . . . . 10.53 110.342 179.573 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.555 ' HA ' HD12 ' B' ' 68' ' ' ILE . 13.9 p -66.59 -29.49 46.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.774 -0.648 . . . . 9.11 110.929 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -35.72 80.26 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 116.081 -0.509 . . . . 10.71 110.523 179.799 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -69.72 -30.49 70.61 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.937 -0.649 . . . . 11.05 111.713 179.43 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 68' ' ' ILE . . . . . 0.555 HD12 ' HA ' ' B' ' 65' ' ' VAL . 33.9 mt -71.2 -46.78 64.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 109.794 -0.447 . . . . 9.74 109.794 179.516 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.411 ' O ' ' HB3' ' B' ' 75' ' ' LYS . 75.2 mt -63.85 -36.81 85.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.92 -0.582 . . . . 9.17 110.178 179.503 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -74.57 -18.3 79.96 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.905 -0.664 . . . . 11.56 112.029 179.592 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -89.85 -47.24 8.01 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.755 0.312 . . . . 12.46 110.487 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 66.8 m -73.62 177.51 5.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.057 -0.52 . . . . 9.82 112.347 -179.389 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.423 ' H ' ' HG2' ' B' ' 73' ' ' GLU . 7.5 pt-20 -74.33 -26.17 59.99 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.631 -0.713 . . . . 10.24 111.249 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -87.46 97.58 10.91 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.046 -0.524 . . . . 7.68 111.303 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 75' ' ' LYS . . . . . 0.411 ' HB3' ' O ' ' B' ' 69' ' ' LEU . 0.1 OUTLIER -133.68 139.82 46.66 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.929 -0.578 . . . . 11.56 109.954 179.133 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 79.62 -47.85 3.34 Favored Glycine 0 CA--C 1.517 0.205 0 C-N-CA 121.097 -0.573 . . . . 8.65 111.95 -179.516 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -70.77 128.35 35.77 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 110.027 -0.36 . . . . 7.58 110.027 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 38.7 m80 -87.01 162.78 17.43 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.286 -0.635 . . . . 7.9 109.286 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.415 HD11 HD11 ' A' ' 79' ' ' LEU . 39.8 tp -57.04 -39.84 75.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.856 0.36 . . . . 4.14 111.231 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.65 -41.07 92.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.061 -0.518 . . . . 5.79 111.542 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -59.85 -51.09 71.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 6.75 110.614 -179.441 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 55.7 mt -62.98 -48.56 87.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.733 -0.667 . . . . 4.76 111.082 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 5.3 mp -61.49 -30.03 70.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.085 -0.507 . . . . 5.48 111.854 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 84' ' ' ASN . . . . . 0.617 ' HB2' ' HB2' ' A' ' 17' ' ' ALA . 55.5 t30 -77.65 -40.44 41.75 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.93 -0.308 . . . . 7.63 110.523 179.255 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 18.1 m -66.53 -38.45 87.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.943 -0.572 . . . . 6.84 110.492 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.42 111.9 2.51 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.629 -0.714 . . . . 6.55 110.879 179.625 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 6.5 m -100.53 100.41 11.14 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.916 -0.584 . . . . 8.4 110.886 -179.602 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 15.0 mmm180 -100.79 123.07 44.46 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.944 -0.571 . . . . 10.35 110.105 179.318 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 19.1 t -120.85 94.23 48.87 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-N 116.182 -0.463 . . . . 11.96 109.969 179.619 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 90' ' ' PRO . . . . . 0.41 ' HD2' ' OE1' ' A' ' 73' ' ' GLU . 14.7 Cg_exo . . . . . 0 N--CA 1.462 -0.345 0 C-N-CA 122.977 2.451 . . . . 13.1 111.124 179.725 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 37.5 t . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.481 -0.563 . . . . 9.95 109.481 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 21' ' ' HIS . . . . . . . . . . . . . 66.7 t60 -75.13 113.66 12.73 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.042 -0.527 . . . . 9.34 110.97 -179.497 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 22' ' ' LEU . . . . . . . . . . . . . 94.7 mt -120.25 137.46 54.21 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.163 -0.472 . . . . 6.88 111.209 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 23' ' ' THR . . . . . 0.635 HG23 ' HG2' ' C' ' 35' ' ' GLU . 23.2 m -106.47 112.82 25.99 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.343 -0.614 . . . . 8.91 109.343 179.089 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 24' ' ' LEU . . . . . 0.485 ' HB2' HG13 ' C' ' 34' ' ' ILE . 33.5 mt -92.64 123.41 35.91 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.704 -0.225 . . . . 8.66 110.83 -179.072 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 16.2 tptm -139.04 124.68 19.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.419 . . . . 13.38 111.018 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 26' ' ' LYS . . . . . 0.56 ' HE2' HD12 ' C' ' 94' ' ' ILE . 7.7 ttpp -91.11 118.92 30.82 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.468 -0.567 . . . . 14.09 109.468 178.636 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 27' ' ' ILE . . . . . 0.577 HD12 ' HA ' ' B' ' 46' ' ' SER . 17.8 pt -69.62 -41.05 80.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.095 -0.502 . . . . 14.88 112.297 -178.76 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 28' ' ' GLN . . . . . 0.5 ' H ' ' HG3' ' C' ' 28' ' ' GLN . 0.0 OUTLIER -87.15 154.39 20.77 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.537 -0.301 . . . . 15.23 111.031 -179.79 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.66 141.56 92.99 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.378 -0.373 . . . . 18.5 111.126 -179.55 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 30' ' ' PRO . . . . . 0.415 ' O ' ' HE3' ' C' ' 26' ' ' LYS . 71.6 Cg_endo -77.91 141.96 68.51 Favored 'Cis proline' 0 C--N 1.344 0.33 0 C-N-CA 123.218 -1.576 . . . . 17.48 111.549 -0.645 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 31' ' ' LYS . . . . . 0.554 ' HE2' ' O ' ' C' ' 27' ' ' ILE . 87.3 mttt -87.88 135.27 33.47 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.91 0.386 . . . . 17.53 111.554 -179.35 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 42.6 p90 -145.42 147.24 32.02 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.848 -0.615 . . . . 13.5 110.006 178.464 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 33' ' ' SER . . . . . . . . . . . . . 2.9 m -132.03 118.26 19.47 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.234 -0.439 . . . . 12.36 110.015 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 34' ' ' ILE . . . . . 0.485 HG13 ' HB2' ' C' ' 24' ' ' LEU . 8.5 pt -137.01 146.55 28.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.371 -0.377 . . . . 10.72 109.998 179.662 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 35' ' ' GLU . . . . . 0.635 ' HG2' HG23 ' C' ' 23' ' ' THR . 30.8 mt-10 -123.56 143.73 50.02 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.762 0.315 . . . . 10.54 111.14 -179.386 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 36' ' ' HIS . . . . . . . . . . . . . 14.4 t60 -157.53 141.09 15.66 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.198 -0.455 . . . . 9.85 110.086 179.269 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -94.48 113.6 25.47 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.278 -0.638 . . . . 9.77 109.278 179.13 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 38' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -99.61 -178.81 4.0 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.739 0.304 . . . . 9.82 111.053 -179.209 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 39' ' ' SER . . . . . 0.429 ' HA ' ' HD3' ' C' ' 40' ' ' PRO . 0.5 OUTLIER -99.22 148.59 34.84 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 116.731 -0.213 . . . . 11.97 110.7 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 40' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' C' ' 39' ' ' SER . 22.8 Cg_exo -65.43 -17.67 58.2 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.736 2.291 . . . . 12.89 111.789 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.99 2.16 54.41 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.69 -0.686 . . . . 14.42 111.014 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 42' ' ' ASP . . . . . 0.402 ' O ' ' HG ' ' C' ' 78' ' ' LEU . 58.5 m-20 -95.01 157.37 15.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.423 -0.353 . . . . 11.77 110.568 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 27.8 p -111.23 179.26 4.09 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.233 -0.44 . . . . 11.4 110.335 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 45.1 mm -64.52 -27.76 43.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.032 0.444 . . . . 7.86 110.447 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 53.2 tp -59.12 -39.09 81.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.78 -0.645 . . . . 12.88 110.967 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 46' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -62.93 -39.08 93.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.199 -0.455 . . . . 12.18 110.585 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 44.4 mt -65.53 -42.95 94.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.927 -0.579 . . . . 8.04 110.215 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -61.82 -46.4 89.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.861 -0.609 . . . . 10.51 110.684 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -62.92 -36.63 84.03 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.018 -0.537 . . . . 13.94 110.397 179.337 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 50' ' ' HIS . . . . . 0.408 ' O ' ' HG2' ' C' ' 54' ' ' GLU . 68.6 t60 -63.62 -37.15 86.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.981 -0.554 . . . . 11.16 110.611 179.364 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 51' ' ' LEU . . . . . 0.411 HD21 HD13 ' C' ' 24' ' ' LEU . 61.3 mt -62.24 -32.08 72.72 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.437 -0.347 . . . . 12.37 111.283 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 52' ' ' ILE . . . . . . . . . . . . . 69.3 mt -66.89 -45.72 86.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.2 -0.454 . . . . 15.35 110.1 179.439 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.21 -30.21 71.28 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.196 -0.456 . . . . 15.02 111.097 179.47 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 54' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' C' ' 50' ' ' HIS . 5.8 mm-40 -78.43 0.43 25.86 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.289 -0.414 . . . . 14.38 110.597 179.647 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 62.69 42.07 8.59 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.849 -0.614 . . . . 18.85 111.281 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 35.0 mmtm -128.6 10.53 6.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.269 -0.423 . . . . 14.47 111.527 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -157.91 164.41 36.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.303 -0.408 . . . . 15.28 110.81 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 58' ' ' SER . . . . . 0.4 ' HB3' ' OE1' ' C' ' 62' ' ' GLU . 25.2 t -118.87 -75.7 0.58 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.474 -0.33 . . . . 17.75 111.099 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 59' ' ' HIS . . . . . 0.441 ' HB2' ' HG3' ' C' ' 62' ' ' GLU . 86.0 m-70 -100.86 153.28 19.62 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.676 0.274 . . . . 19.22 110.595 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 45.9 mm -65.86 -39.03 83.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.02 -0.536 . . . . 13.8 111.443 -179.374 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 3.4 p -68.12 -18.83 64.75 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.175 -0.466 . . . . 14.67 112.236 -179.076 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 62' ' ' GLU . . . . . 0.441 ' HG3' ' HB2' ' C' ' 59' ' ' HIS . 52.2 mt-10 -83.46 -15.97 47.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.927 0.394 . . . . 16.71 110.771 -179.735 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 63' ' ' ILE . . . . . . . . . . . . . 25.5 mt -89.69 104.53 15.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.035 -0.529 . . . . 10.79 111.68 -178.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 64' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -102.1 95.58 6.43 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.552 -0.749 . . . . 9.73 109.538 179.557 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 65' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' C' ' 92' ' ' VAL . 86.4 mt -93.24 146.44 23.69 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.121 -0.49 . . . . 5.89 110.594 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 66' ' ' LEU . . . . . 0.835 ' HG ' ' HB ' ' C' ' 91' ' ' THR . 0.7 OUTLIER -154.76 160.92 41.63 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.434 -0.348 . . . . 7.57 110.701 -179.865 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 67' ' ' LEU . . . . . 0.401 HD13 HD13 ' C' ' 90' ' ' ILE . 43.3 tp -146.58 115.3 6.83 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.834 -0.621 . . . . 7.44 109.916 179.142 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 68' ' ' LYS . . . . . 0.465 ' HE3' ' HB3' ' C' ' 68' ' ' LYS . 24.5 mmmt 62.42 29.97 17.25 Favored 'General case' 0 C--N 1.332 -0.16 0 O-C-N 123.621 0.576 . . . . 12.88 111.397 179.464 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 95.26 -31.57 6.94 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.954 -0.641 . . . . 8.93 111.877 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 70' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -70.63 114.18 8.47 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.97 -0.382 . . . . 9.44 109.97 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 71' ' ' VAL . . . . . 0.753 ' H ' ' HB3' ' A' ' 45' ' ' ASP . 60.7 t -63.97 126.29 22.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.594 -0.521 . . . . 7.05 109.594 179.266 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 52.4 mt -80.78 91.39 5.92 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.306 0.574 . . . . 5.9 110.59 -179.327 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 73' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -69.43 144.72 53.24 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.27 -0.877 . . . . 8.93 109.584 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -49.3 -45.43 45.22 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 113.077 0.769 . . . . 9.91 113.077 -178.476 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 75' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -80.56 55.6 2.37 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.241 -0.436 . . . . 13.36 112.094 -179.221 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 76' ' ' LEU . . . . . . . . . . . . . 32.7 tp -139.78 128.38 23.03 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.567 -0.531 . . . . 9.58 109.567 179.509 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -81.34 149.64 28.82 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.227 -0.442 . . . . 14.32 111.043 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 78' ' ' LEU . . . . . 0.599 ' HA ' ' HG ' ' C' ' 81' ' ' LEU . 21.3 mt -64.05 -17.16 63.1 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.974 -0.557 . . . . 9.53 112.011 -179.256 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 79' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.53 -19.48 63.71 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.339 -0.391 . . . . 12.75 110.875 179.651 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 80' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -96.61 5.14 51.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.106 0.479 . . . . 12.44 111.058 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 81' ' ' LEU . . . . . 0.599 ' HG ' ' HA ' ' C' ' 78' ' ' LEU . 30.1 mt -77.82 122.3 25.25 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.837 0.351 . . . . 10.15 110.396 179.543 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 82' ' ' LYS . . . . . . . . . . . . . 41.2 mmtt -82.26 47.1 1.1 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.157 0.503 . . . . 12.59 110.662 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -85.52 115.46 27.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.918 -0.583 . . . . 11.5 111.745 -179.35 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 84' ' ' THR . . . . . . . . . . . . . 2.3 p -111.85 162.98 18.78 Favored Pre-proline 0 C--N 1.319 -0.754 0 N-CA-C 108.358 -0.978 . . . . 13.96 108.358 179.048 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 85' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -54.84 -31.25 71.95 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.81 2.34 . . . . 14.91 112.545 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -72.76 -21.07 61.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.399 -0.364 . . . . 15.11 111.865 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 87' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -155.65 74.51 0.88 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.153 0.501 . . . . 12.35 111.912 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 88' ' ' SER . . . . . . . . . . . . . 1.1 m -96.65 11.57 34.9 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.264 0.554 . . . . 10.32 110.222 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 89' ' ' THR . . . . . . . . . . . . . 11.2 m -88.87 124.87 34.61 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.773 -0.648 . . . . 9.82 112.109 -179.288 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 90' ' ' ILE . . . . . 0.401 HD13 HD13 ' C' ' 67' ' ' LEU . 49.1 mm -92.56 125.92 45.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 108.469 -0.938 . . . . 6.59 108.469 178.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 91' ' ' THR . . . . . 0.835 ' HB ' ' HG ' ' C' ' 66' ' ' LEU . 2.0 m -74.39 111.64 9.77 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.123 -0.489 . . . . 8.75 110.958 -179.336 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 92' ' ' VAL . . . . . 0.425 ' O ' ' HA ' ' C' ' 26' ' ' LYS . 42.4 t -98.22 129.07 49.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.948 -0.569 . . . . 9.58 110.157 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 93' ' ' MET . . . . . 0.447 ' SD ' HD11 ' C' ' 27' ' ' ILE . 7.9 mtm -135.82 143.04 44.94 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.514 -0.312 . . . . 10.9 110.223 179.426 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 94' ' ' ILE . . . . . 0.56 HD12 ' HE2' ' C' ' 26' ' ' LYS . 63.6 mt -116.9 116.96 53.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 109.794 -0.447 . . . . 13.44 109.794 179.12 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 95' ' ' LYS . . . . . . . . . . . . . 20.3 mmtp . . . . . 0 C--N 1.321 -0.64 0 CA-C-N 115.877 -0.601 . . . . 14.6 110.234 -179.953 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.273 0 CA-C-O 120.43 0.157 . . . . 10.47 111.094 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 11.0 mmt -76.32 -74.87 0.21 Allowed 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.601 0.239 . . . . 11.61 111.539 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.0 m -142.54 -14.48 0.76 Allowed 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.015 0.376 . . . . 10.77 112.015 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 60.48 46.86 9.23 Favored 'General case' 0 CA--C 1.521 -0.136 0 CA-C-O 121.327 0.584 . . . . 8.07 110.646 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.9 m -70.03 171.62 9.23 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.413 -0.812 . . . . 10.11 110.17 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.1 mtmm -54.56 -41.82 70.24 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.249 -0.432 . . . . 10.66 112.064 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.0 pm0 -69.34 -35.38 75.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.506 0.193 . . . . 11.43 111.314 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -64.73 -47.45 78.21 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 121.048 0.452 . . . . 8.91 110.273 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 65.6 mt -69.82 -43.58 79.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.672 -0.694 . . . . 6.35 111.163 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.69 -43.19 72.29 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 112.136 0.421 . . . . 7.12 112.136 -179.347 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.25 -42.97 92.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 7.6 110.935 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 74.7 mt -69.41 -34.9 75.16 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.162 -0.472 . . . . 5.59 111.34 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 91.8 mt -65.57 -52.12 54.73 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-N 116.267 -0.424 . . . . 4.33 110.516 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.4 m -65.99 -31.66 54.68 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 CA-C-N 116.393 -0.367 . . . . 6.96 110.924 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -66.92 -40.9 87.75 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.849 -0.426 . . . . 7.34 109.849 178.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.476 ' HB2' ' HB3' ' A' ' 79' ' ' LEU . 29.4 t80 -60.25 -46.84 88.41 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.904 -0.589 . . . . 5.51 109.874 178.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.2 m-30 -61.23 -39.82 91.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.073 -0.512 . . . . 6.35 110.427 179.19 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.403 ' O ' ' HB2' ' A' ' 35' ' ' GLU . 25.1 m -64.06 -36.46 84.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.838 -0.619 . . . . 8.01 110.329 179.135 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 17.3 m -67.96 -41.02 83.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.043 -0.526 . . . . 8.27 110.486 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.483 HG23 ' HB2' ' A' ' 38' ' ' GLU . 78.8 mt -60.4 -48.94 86.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 116.171 -0.468 . . . . 8.37 111.34 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.2 m -73.07 -26.02 22.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 112.42 0.526 . . . . 9.63 112.42 -179.334 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.403 ' HB2' ' O ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -63.81 -53.91 43.42 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.85 0.357 . . . . 10.98 111.171 -179.78 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.469 ' HG3' ' HG3' ' A' ' 38' ' ' GLU . 22.2 pttt -88.4 8.26 28.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.937 0.399 . . . . 11.09 111.031 179.661 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.484 ' HE2' ' O ' ' A' ' 39' ' ' ILE . 14.6 tptm 52.47 68.68 0.79 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.352 -0.84 . . . . 11.72 112.216 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.483 ' HB2' HG23 ' A' ' 33' ' ' ILE . 2.4 mt-10 -100.87 4.9 43.14 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.974 -0.557 . . . . 9.58 110.611 179.239 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.484 ' O ' ' HE2' ' A' ' 37' ' ' LYS . 20.1 tt -140.26 149.47 21.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.837 -0.62 . . . . 9.5 109.917 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.6 p -74.23 158.53 33.93 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.387 -0.37 . . . . 9.96 110.725 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -55.48 -24.98 34.31 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.999 -0.546 . . . . 11.9 112.23 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -59.62 -54.71 43.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.187 -0.46 . . . . 10.3 110.466 179.498 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.99 -16.96 62.12 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.864 -0.684 . . . . 8.47 112.273 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.08 -46.3 88.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.612 0.244 . . . . 8.42 111.557 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -69.19 -29.31 67.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.745 0.307 . . . . 9.73 110.984 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 13.9 m -64.06 -47.63 79.41 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.052 0.453 . . . . 7.86 109.88 178.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 92.1 mt -71.06 -30.01 66.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 6.77 110.0 179.034 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 18.8 t30 -58.5 -46.67 86.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.333 -0.849 . . . . 9.39 110.631 179.32 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.567 HG11 HD21 ' C' ' 66' ' ' LEU . 7.7 p -79.79 -37.28 17.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.484 -0.326 . . . . 9.6 111.081 179.631 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.16 -39.15 81.6 Favored 'General case' 0 C--N 1.334 -0.078 0 CA-C-O 120.806 0.336 . . . . 7.62 110.989 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 35.2 ttm -58.32 -40.66 82.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.991 -0.549 . . . . 8.19 110.618 179.57 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.477 ' OD2' ' HG3' ' C' ' 95' ' ' LYS . 21.6 t70 -69.9 -40.81 75.39 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.753 -0.658 . . . . 11.12 110.876 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 69.8 m -60.15 -41.39 92.64 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 121.06 0.457 . . . . 9.77 109.91 178.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 97.6 mt -64.27 -41.96 93.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.829 -0.623 . . . . 9.06 109.763 179.119 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.487 ' HA ' ' CZ ' ' A' ' 60' ' ' PHE . 19.6 m -60.34 -44.31 95.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.789 -0.642 . . . . 10.96 111.429 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.406 ' HB2' ' NZ ' ' C' ' 95' ' ' LYS . 82.0 tt0 -70.14 -37.8 75.36 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.35 -0.386 . . . . 12.89 111.741 -179.617 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.75 -42.57 97.66 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.677 0.621 . . . . 11.68 112.677 -179.201 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -88.59 -17.81 29.36 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 112.41 0.522 . . . . 11.93 112.41 -179.299 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.32 58.33 1.67 Allowed Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.795 -0.717 . . . . 13.13 114.02 178.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.487 ' CZ ' ' HA ' ' A' ' 55' ' ' SER . 51.6 p90 -151.94 155.47 38.12 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.285 -0.265 . . . . 12.01 110.285 178.248 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -80.66 143.04 33.37 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.919 0.39 . . . . 14.85 111.539 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.873 HH22 ' N ' ' C' ' 98' ' ' PRO . 28.0 ttp180 -57.52 -42.29 82.54 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.648 -0.705 . . . . 11.66 111.566 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 22.8 mp0 -88.46 10.47 20.04 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.252 -0.431 . . . . 13.0 112.046 -179.231 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -100.24 6.1 44.69 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.917 0.389 . . . . 12.82 111.154 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.4 p -61.26 -32.22 52.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.829 -0.623 . . . . 10.88 111.078 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.55 -34.81 77.69 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.883 -0.599 . . . . 12.04 110.999 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -78.89 -38.03 24.34 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.756 -0.735 . . . . 12.77 111.679 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 53.7 mt -62.54 -43.04 98.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.723 0.296 . . . . 11.54 110.728 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 96.9 mt -68.06 -23.1 64.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 10.42 110.601 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -81.41 -50.61 4.98 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.979 -0.629 . . . . 12.46 112.212 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -66.58 -27.22 67.55 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 111.975 0.361 . . . . 14.12 111.975 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.8 m -95.08 162.01 13.89 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.214 -0.662 . . . . 10.83 109.214 178.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 54.7 mm-40 -89.2 56.63 3.73 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.033 0.445 . . . . 10.68 111.232 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -133.65 18.32 3.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.407 0.622 . . . . 8.37 110.052 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.659 ' HD2' ' H ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -68.81 129.82 41.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.615 -0.72 . . . . 12.83 110.634 179.834 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 80.76 15.81 76.8 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.613 -0.803 . . . . 9.82 111.894 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -132.28 131.57 42.16 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.825 0.345 . . . . 8.93 110.749 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 12.7 m80 -109.17 158.48 17.77 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.756 -0.831 . . . . 8.72 108.756 179.184 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.476 ' HB3' ' HB2' ' A' ' 29' ' ' TYR . 24.8 tp -54.48 -33.77 60.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.859 0.361 . . . . 4.7 111.032 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.83 -57.37 8.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.942 -0.572 . . . . 5.96 111.249 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -59.96 -35.65 75.44 Favored 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 111.873 0.323 . . . . 7.82 111.873 -179.526 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 85.5 mt -64.62 -50.77 74.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.685 -0.234 . . . . 5.79 110.682 179.397 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.9 mp -66.1 -31.51 72.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.304 0.573 . . . . 5.97 110.4 179.358 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -65.13 -23.71 67.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.456 -0.793 . . . . 9.2 110.995 179.173 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 12.8 m -93.75 0.74 56.5 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.309 -0.405 . . . . 7.98 111.245 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -93.55 98.82 11.42 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-O 121.213 0.53 . . . . 7.06 111.377 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.7 m -89.02 65.29 7.44 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.074 -0.512 . . . . 9.21 111.322 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -72.03 120.41 17.59 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.141 -0.481 . . . . 9.55 110.009 179.289 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.427 ' HA ' ' HD3' ' A' ' 90' ' ' PRO . 45.5 t -104.72 116.48 60.88 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 116.447 -0.342 . . . . 12.15 110.238 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 89' ' ' VAL . 7.1 Cg_exo -74.48 102.79 1.6 Allowed 'Trans proline' 0 N--CA 1.462 -0.334 0 C-N-CA 122.883 2.389 . . . . 12.82 111.516 179.613 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -93.66 54.78 2.07 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.107 0.48 . . . . 14.19 110.105 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.251 1.134 0 CA-C-O 118.46 -0.781 . . . . 15.67 111.196 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 44.8 ttp . . . . . 0 N--CA 1.479 0.991 0 N-CA-C 110.302 -0.259 . . . . 11.23 110.302 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 13.3 mmt -82.85 59.26 4.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.943 0.402 . . . . 13.11 110.402 178.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 11.6 m 65.94 -164.76 0.23 Allowed 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 115.38 -0.827 . . . . 11.45 110.951 -179.098 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.469 ' HB1' HD11 ' B' ' 22' ' ' ILE . . . -128.42 83.0 2.12 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.879 0.371 . . . . 8.27 110.455 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 18' ' ' SER . . . . . 0.757 ' HB2' ' HG3' ' B' ' 21' ' ' GLU . 1.4 m -69.17 141.0 54.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.094 -0.503 . . . . 9.28 110.689 179.671 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 19' ' ' LYS . . . . . 0.468 ' HB3' ' HE2' ' B' ' 58' ' ' PHE . 49.6 mttp -52.2 -45.84 65.35 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.978 0.733 . . . . 8.44 112.978 -178.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 3.6 pm0 -65.88 -34.17 77.52 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.721 0.296 . . . . 9.58 111.198 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.757 ' HG3' ' HB2' ' B' ' 18' ' ' SER . 29.0 mt-10 -69.58 -39.58 77.25 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.013 0.435 . . . . 8.61 110.233 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.469 HD11 ' HB1' ' B' ' 17' ' ' ALA . 72.4 mt -68.79 -45.2 81.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 109.375 -0.602 . . . . 4.87 109.375 178.794 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.72 -37.8 79.88 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.702 -0.681 . . . . 4.42 111.143 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.25 -40.02 92.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.113 -0.494 . . . . 5.79 110.522 179.423 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.4 HD21 ' HB3' ' B' ' 74' ' ' PHE . 38.3 mt -71.11 -34.16 70.83 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.28 -0.418 . . . . 4.52 110.894 179.342 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.405 HG13 ' O ' ' B' ' 22' ' ' ILE . 97.1 mt -64.19 -50.87 74.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 4.37 110.344 179.487 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 31.2 m -66.75 -35.1 73.95 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-O 120.917 0.389 . . . . 6.25 110.677 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -63.48 -39.99 95.9 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.12 -0.491 . . . . 6.91 109.777 178.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -59.21 -49.24 78.62 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.72 -0.673 . . . . 7.07 110.377 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -63.33 -38.83 92.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.357 -0.383 . . . . 8.36 110.581 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 42.0 m -63.61 -36.21 83.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.009 -0.541 . . . . 9.5 110.474 178.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' SER . . . . . 0.422 ' HA ' ' OE2' ' B' ' 35' ' ' GLU . 19.2 m -70.61 -14.95 62.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.293 0.568 . . . . 9.77 111.019 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.781 HG23 ' HB3' ' B' ' 38' ' ' GLU . 97.2 mt -89.27 -45.87 15.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.049 -0.523 . . . . 11.09 110.011 179.212 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 26.9 m -74.38 -24.0 18.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 112.736 0.643 . . . . 12.38 112.736 -179.144 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.422 ' OE2' ' HA ' ' B' ' 32' ' ' SER . 7.8 pt-20 -64.7 -24.32 67.53 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 111.93 0.344 . . . . 13.19 111.93 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 23.4 pttm -124.54 14.26 8.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.797 0.332 . . . . 13.7 111.258 -179.436 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 20.3 ttmm 51.46 55.15 9.86 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.724 -0.671 . . . . 15.86 112.016 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' GLU . . . . . 0.781 ' HB3' HG23 ' B' ' 33' ' ' ILE . 83.9 tt0 -83.87 -16.53 44.1 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.531 0.682 . . . . 12.56 109.575 179.231 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 39' ' ' ILE . . . . . 0.427 HG13 ' N ' ' B' ' 40' ' ' SER . 4.7 tp -110.2 160.53 9.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.25 -0.887 . . . . 13.67 109.308 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 40' ' ' SER . . . . . 0.427 ' N ' HG13 ' B' ' 39' ' ' ILE . 2.1 p -69.87 167.18 17.88 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.808 0.337 . . . . 15.14 111.6 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -55.08 -38.22 67.79 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.002 -0.545 . . . . 16.66 111.927 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' ASP . . . . . 0.71 ' HA ' ' HD3' ' C' ' 31' ' ' LYS . 0.3 OUTLIER -73.46 -45.29 55.05 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.104 -0.498 . . . . 15.52 110.179 179.346 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 43' ' ' GLY . . . . . 0.43 ' O ' ' HG ' ' B' ' 47' ' ' LEU . . . -59.77 -39.77 95.76 Favored Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 115.902 -0.59 . . . . 13.17 111.881 179.09 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.33 -45.51 91.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.839 0.352 . . . . 12.42 110.682 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' ASP . . . . . 0.402 ' HB3' ' HB ' ' C' ' 27' ' ' ILE . 0.2 OUTLIER -64.31 -43.13 95.66 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.782 -0.645 . . . . 13.38 109.757 179.556 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 19.1 m -62.99 -44.5 95.85 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.318 -0.856 . . . . 11.72 111.413 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' B' ' 43' ' ' GLY . 74.2 mt -65.83 -35.42 80.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.764 0.316 . . . . 9.64 111.051 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -58.98 -52.21 66.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.495 . . . . 11.12 110.954 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' VAL . . . . . 0.616 HG21 HG21 ' C' ' 91' ' ' THR . 14.4 p -70.14 -33.7 55.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.393 -0.367 . . . . 10.04 111.124 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.41 -42.9 96.93 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.829 0.347 . . . . 8.26 110.164 179.219 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 74.3 mtm -64.07 -36.47 84.12 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.928 -0.578 . . . . 7.93 110.355 179.086 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.16 -42.23 96.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.822 -0.626 . . . . 9.48 110.362 179.446 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 53' ' ' CYS . . . . . 0.464 ' SG ' ' HA2' ' C' ' 69' ' ' GLY . 35.9 m -62.3 -43.39 98.94 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.652 -0.704 . . . . 8.11 110.468 179.366 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 87.9 mt -62.81 -43.27 98.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 6.13 110.313 179.545 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' SER . . . . . 0.429 ' HA ' ' CE1' ' B' ' 60' ' ' PHE . 19.8 m -59.71 -52.07 67.08 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.732 -0.667 . . . . 7.39 112.326 -179.313 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -68.83 -29.63 68.0 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.781 0.66 . . . . 8.81 112.781 -178.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.26 -39.14 65.64 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.865 0.32 . . . . 7.38 111.865 -179.551 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' PHE . . . . . 0.468 ' HE2' ' HB3' ' B' ' 19' ' ' LYS . 48.2 m-85 -83.97 -29.35 27.1 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.136 0.421 . . . . 8.09 112.136 -179.643 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 104.01 48.05 1.19 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.675 -0.774 . . . . 9.43 112.994 179.498 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' PHE . . . . . 0.429 ' CE1' ' HA ' ' B' ' 55' ' ' SER . 36.4 p90 -154.11 177.64 10.86 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.829 -0.434 . . . . 8.7 109.829 179.202 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -118.44 146.77 44.21 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.707 0.289 . . . . 11.16 110.62 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 62' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' B' ' 62' ' ' ARG . 14.0 ttp-105 -64.84 -31.38 72.59 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.328 0.585 . . . . 10.74 109.923 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -77.69 0.16 24.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.836 -0.62 . . . . 11.8 111.053 179.344 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -116.29 12.92 15.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.159 -0.473 . . . . 10.53 110.879 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 14.1 p -63.12 -34.47 66.91 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-N 116.156 -0.474 . . . . 9.11 111.12 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.37 -35.36 80.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.112 -0.494 . . . . 10.71 110.539 179.555 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -71.26 -35.6 63.77 Favored Glycine 0 N--CA 1.446 -0.636 0 CA-C-N 115.675 -0.693 . . . . 11.05 112.065 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 56.6 mt -71.04 -51.08 37.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 109.66 -0.496 . . . . 9.74 109.66 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.474 ' O ' ' HB3' ' B' ' 75' ' ' LYS . 96.6 mt -62.24 -29.57 70.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.997 -0.547 . . . . 9.17 110.998 179.788 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -67.05 -26.52 73.31 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 121.175 -0.536 . . . . 11.56 112.381 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 53.8 mttp -92.49 -44.24 8.75 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.768 -0.456 . . . . 12.46 109.768 179.285 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 68.9 m -63.68 161.78 14.38 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.582 -0.735 . . . . 9.82 111.738 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -81.77 20.75 0.91 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.74 -0.664 . . . . 10.24 110.565 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.4 ' HB3' HD21 ' B' ' 25' ' ' LEU . 44.5 m-85 -110.48 11.83 23.03 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.983 -0.553 . . . . 7.68 110.589 -179.389 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 75' ' ' LYS . . . . . 0.474 ' HB3' ' O ' ' B' ' 69' ' ' LEU . 12.9 ptmt -64.87 119.81 11.36 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.823 -0.626 . . . . 11.56 110.421 179.488 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 90.24 9.41 65.33 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.718 -0.753 . . . . 8.65 111.756 -179.306 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 14.9 mm-40 -126.97 166.69 17.05 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.122 -0.325 . . . . 7.58 110.122 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 19.8 m80 -135.27 165.32 25.7 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.426 -0.583 . . . . 7.9 109.426 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 18.1 tp -62.48 -29.65 70.69 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.321 -0.399 . . . . 4.14 110.99 179.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.89 -57.48 6.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.033 -0.53 . . . . 5.79 112.289 -179.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.58 -39.17 90.23 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 112.748 0.647 . . . . 6.75 112.748 -179.094 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.38 -45.88 94.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 120.903 0.382 . . . . 4.76 111.026 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 5.5 mp -69.51 -28.33 65.95 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.191 0.519 . . . . 5.48 110.953 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -69.82 -45.63 67.44 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.069 -0.514 . . . . 7.63 110.415 179.2 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 3.8 p -70.43 -40.13 73.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 6.84 110.468 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.16 114.71 3.59 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 109.536 -0.542 . . . . 6.55 109.536 178.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 6.5 m -130.83 127.58 38.91 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.238 -0.437 . . . . 8.4 111.687 -178.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 34.9 mmm-85 -124.19 142.31 51.34 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.907 -1.146 . . . . 10.35 107.907 178.505 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 21.8 t -113.28 107.25 53.91 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-O 120.731 0.301 . . . . 11.96 110.768 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 90' ' ' PRO . . . . . 0.465 ' HG2' ' HD3' ' A' ' 75' ' ' LYS . 23.7 Cg_exo -66.45 108.75 1.45 Allowed 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 123.062 2.508 . . . . 13.1 112.037 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -82.6 75.68 9.49 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.023 -0.535 . . . . 14.34 109.697 179.419 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 21.1 m . . . . . 0 C--O 1.25 1.118 0 CA-C-O 118.13 -0.938 . . . . 16.55 110.243 -179.714 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 59.1 t . . . . . 0 C--O 1.231 0.116 0 N-CA-C 109.304 -0.628 . . . . 9.95 109.304 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 21' ' ' HIS . . . . . . . . . . . . . 38.2 t60 -81.74 117.12 21.8 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.315 -0.402 . . . . 9.34 111.07 -178.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 22' ' ' LEU . . . . . . . . . . . . . 97.4 mt -124.73 147.8 48.43 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.017 0.437 . . . . 6.88 111.581 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 23' ' ' THR . . . . . 0.569 ' HB ' ' HA ' ' C' ' 89' ' ' THR . 11.9 m -113.88 120.61 41.32 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.727 -0.67 . . . . 8.91 109.423 179.115 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 24' ' ' LEU . . . . . 0.466 ' HB2' HG13 ' C' ' 34' ' ' ILE . 39.8 mt -99.83 116.1 31.12 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.666 0.27 . . . . 8.66 110.299 -179.726 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -131.15 132.3 44.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.249 -0.432 . . . . 13.38 111.417 -179.141 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 26' ' ' LYS . . . . . 0.431 ' HD3' ' CE2' ' C' ' 32' ' ' PHE . 8.4 ttpp -96.26 127.84 42.62 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.432 -0.581 . . . . 14.09 109.432 178.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 27' ' ' ILE . . . . . 0.794 HD13 ' H ' ' C' ' 27' ' ' ILE . 0.2 OUTLIER -78.66 -28.51 14.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 112.675 0.62 . . . . 14.88 112.675 -179.194 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 28' ' ' GLN . . . . . 0.451 ' H ' ' HG3' ' C' ' 28' ' ' GLN . 0.0 OUTLIER -93.1 134.44 35.25 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 110.088 -0.338 . . . . 15.23 110.088 179.785 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.74 138.44 77.62 Favored Pre-proline 0 C--N 1.331 -0.238 0 O-C-N 123.316 0.385 . . . . 18.5 111.49 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 30' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -74.91 132.41 27.43 Favored 'Cis proline' 0 C--N 1.348 0.54 0 C-N-CA 123.177 -1.593 . . . . 17.48 112.012 -0.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 31' ' ' LYS . . . . . 0.71 ' HD3' ' HA ' ' B' ' 42' ' ' ASP . 45.1 mtmt -83.9 92.89 7.9 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.033 -0.531 . . . . 17.53 111.512 -179.502 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 32' ' ' PHE . . . . . 0.431 ' CE2' ' HD3' ' C' ' 26' ' ' LYS . 43.7 p90 -91.31 159.69 15.89 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 110.02 -0.363 . . . . 13.5 110.02 178.764 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 33' ' ' SER . . . . . . . . . . . . . 19.9 m -147.52 115.34 6.44 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.366 -0.379 . . . . 12.36 110.582 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 34' ' ' ILE . . . . . 0.466 HG13 ' HB2' ' C' ' 24' ' ' LEU . 6.0 pt -131.1 144.03 39.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.135 -0.484 . . . . 10.72 110.722 -179.732 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 35' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -117.71 138.81 51.76 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.223 -0.444 . . . . 10.54 110.411 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 36' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -153.25 163.86 39.14 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.376 -0.374 . . . . 9.85 110.809 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -106.75 127.6 53.52 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.93 -0.577 . . . . 9.77 109.792 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 38' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -114.18 -168.92 1.43 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.194 -0.457 . . . . 9.82 110.115 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 39' ' ' SER . . . . . 0.404 ' HA ' ' HD3' ' C' ' 40' ' ' PRO . 0.4 OUTLIER -118.76 152.81 51.96 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.448 -0.342 . . . . 11.97 110.217 179.776 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 40' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' C' ' 39' ' ' SER . 16.5 Cg_exo -69.04 -18.78 40.24 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.521 2.147 . . . . 12.89 111.478 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.34 -5.01 59.34 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.718 -0.674 . . . . 14.42 110.915 179.721 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 42' ' ' ASP . . . . . 0.468 ' O ' ' HG ' ' C' ' 78' ' ' LEU . 75.3 m-20 -86.59 154.86 20.73 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.191 -0.458 . . . . 11.77 110.261 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 21.8 p -109.9 175.68 5.35 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.277 -0.42 . . . . 11.4 109.952 179.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 44' ' ' ILE . . . . . 0.644 HG23 HD12 ' C' ' 65' ' ' LEU . 45.7 mm -60.5 -28.33 42.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.192 0.52 . . . . 7.86 109.867 178.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 47.8 tp -62.23 -35.6 79.43 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.616 -0.72 . . . . 12.88 110.787 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 46' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -63.54 -37.78 88.64 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-N 116.364 -0.38 . . . . 12.18 110.86 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 61.7 mt -65.04 -42.96 95.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 109.492 -0.558 . . . . 8.04 109.492 178.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -61.67 -44.7 96.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.689 -0.687 . . . . 10.51 110.091 179.26 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -61.32 -42.1 98.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.696 -0.684 . . . . 13.94 109.915 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 50' ' ' HIS . . . . . 0.59 ' O ' ' HG2' ' C' ' 54' ' ' GLU . 3.4 t60 -63.98 -41.28 97.57 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.68 -0.691 . . . . 11.16 110.521 179.504 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 19.5 mt -59.73 -39.84 86.04 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 120.873 0.368 . . . . 12.37 111.572 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 52' ' ' ILE . . . . . . . . . . . . . 61.1 mt -67.81 -37.79 79.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 109.575 -0.528 . . . . 15.35 109.575 178.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 4.8 m -63.94 -31.59 72.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.004 -0.543 . . . . 15.02 111.0 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 54' ' ' GLU . . . . . 0.59 ' HG2' ' O ' ' C' ' 50' ' ' HIS . 4.0 mm-40 -86.56 9.35 18.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.466 -0.334 . . . . 14.38 110.674 179.34 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 56.31 44.38 24.8 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.762 -0.654 . . . . 18.85 112.358 179.569 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 56' ' ' LYS . . . . . 0.419 ' HD3' ' HA ' ' C' ' 56' ' ' LYS . 32.7 mmtm -115.83 0.33 13.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.25 -0.432 . . . . 14.47 110.933 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -155.43 162.82 40.68 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.915 -0.584 . . . . 15.28 109.645 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 58' ' ' SER . . . . . . . . . . . . . 8.5 t -105.38 -58.82 1.85 Allowed 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.788 -0.365 . . . . 17.75 111.981 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 59' ' ' HIS . . . . . 0.495 ' HB2' ' HG3' ' C' ' 62' ' ' GLU . 98.1 m-70 -118.06 156.07 29.25 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.857 0.36 . . . . 19.22 111.944 -179.136 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 32.8 mm -65.0 -37.05 79.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.538 -0.755 . . . . 13.8 110.832 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.37 -14.55 63.02 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.751 -0.659 . . . . 14.67 112.755 -179.028 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 62' ' ' GLU . . . . . 0.538 ' O ' ' HA ' ' C' ' 94' ' ' ILE . 41.8 mt-10 -89.52 -19.89 24.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.806 0.336 . . . . 16.71 110.71 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 63' ' ' ILE . . . . . . . . . . . . . 11.4 mt -92.12 108.94 20.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 112.625 0.602 . . . . 10.79 112.625 -177.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 64' ' ' LYS . . . . . . . . . . . . . 70.0 tttt -118.54 109.0 15.67 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.825 -0.806 . . . . 9.73 108.825 177.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 65' ' ' LEU . . . . . 0.644 HD12 HG23 ' C' ' 44' ' ' ILE . 80.9 mt -91.86 148.84 21.92 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.215 -0.448 . . . . 5.89 111.708 -178.471 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 66' ' ' LEU . . . . . 0.567 HD21 HG11 ' A' ' 49' ' ' VAL . 3.3 mp -139.96 151.67 45.73 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.01 -0.541 . . . . 7.57 110.968 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 57.2 tp -139.77 110.97 6.98 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.999 -0.546 . . . . 7.44 109.79 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 59.96 27.84 17.28 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 116.148 -0.478 . . . . 12.88 111.497 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 69' ' ' GLY . . . . . 0.464 ' HA2' ' SG ' ' B' ' 53' ' ' CYS . . . 99.28 -22.54 40.26 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.885 -0.674 . . . . 8.93 112.562 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 70' ' ' LYS . . . . . 0.526 ' HE3' ' HA ' ' C' ' 70' ' ' LYS . 0.0 OUTLIER -82.03 122.63 28.06 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.671 0.272 . . . . 9.44 110.736 -179.728 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 71' ' ' VAL . . . . . 0.472 ' HA ' ' HG ' ' C' ' 66' ' ' LEU . 40.9 t -69.28 128.58 32.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.169 -0.469 . . . . 7.05 110.741 179.607 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 53.2 mt -90.17 108.73 19.92 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.053 -0.522 . . . . 5.9 110.272 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 73' ' ' HIS . . . . . . . . . . . . . 6.4 m170 -82.58 156.1 24.13 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.004 -0.544 . . . . 8.93 111.522 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -57.51 -32.36 66.95 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 113.049 0.759 . . . . 9.91 113.049 -178.38 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 75' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -77.72 -4.22 45.1 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.659 0.615 . . . . 13.36 112.659 -179.081 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 76' ' ' LEU . . . . . . . . . . . . . 28.0 tp -84.41 134.52 34.47 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.889 0.376 . . . . 9.58 110.737 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -89.44 152.36 21.52 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.784 -0.644 . . . . 14.32 110.313 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 78' ' ' LEU . . . . . 0.532 ' HA ' ' HG ' ' C' ' 81' ' ' LEU . 23.2 mt -68.16 -15.33 63.54 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.208 -0.451 . . . . 9.53 111.185 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.01 -19.49 60.05 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.967 -0.56 . . . . 12.75 110.944 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 80' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.76 0.96 47.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.287 -0.415 . . . . 12.44 111.132 -179.609 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 81' ' ' LEU . . . . . 0.532 ' HG ' ' HA ' ' C' ' 78' ' ' LEU . 33.8 mt -72.71 122.64 21.82 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.526 -0.306 . . . . 10.15 110.64 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 82' ' ' LYS . . . . . . . . . . . . . 27.6 mmtt -82.36 58.12 3.95 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.122 -0.49 . . . . 12.59 109.718 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 5.3 m -97.48 128.28 48.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.965 -0.561 . . . . 11.5 112.134 -179.05 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 84' ' ' THR . . . . . 0.555 ' HB ' ' HD2' ' C' ' 85' ' ' PRO . 58.5 p -125.26 175.11 3.28 Favored Pre-proline 0 C--N 1.319 -0.752 0 N-CA-C 107.845 -1.169 . . . . 13.96 107.845 179.098 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 85' ' ' PRO . . . . . 0.555 ' HD2' ' HB ' ' C' ' 84' ' ' THR . 54.1 Cg_exo -55.63 -19.44 23.84 Favored 'Trans proline' 0 CA--C 1.533 0.446 0 C-N-CA 122.635 2.223 . . . . 14.91 112.932 179.308 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -87.37 -44.32 11.46 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.145 0.424 . . . . 15.11 112.145 -179.515 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 87' ' ' ASN . . . . . . . . . . . . . 29.1 p-10 -111.98 46.74 1.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.14 0.495 . . . . 12.35 112.135 -178.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.66 6.14 13.58 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.035 0.445 . . . . 10.32 111.318 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 89' ' ' THR . . . . . 0.569 ' HA ' ' HB ' ' C' ' 23' ' ' THR . 6.3 m -101.33 123.45 45.45 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.121 -0.491 . . . . 9.82 111.249 -179.413 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 90' ' ' ILE . . . . . . . . . . . . . 45.8 mm -95.83 132.06 40.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.377 -0.601 . . . . 6.59 109.377 179.446 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 91' ' ' THR . . . . . 0.616 HG21 HG21 ' B' ' 49' ' ' VAL . 4.6 m -77.83 115.11 17.33 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.281 -0.418 . . . . 8.75 110.685 -179.772 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 92' ' ' VAL . . . . . . . . . . . . . 38.8 t -99.46 109.02 23.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.29 -0.414 . . . . 9.58 111.231 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 93' ' ' MET . . . . . 0.504 ' SD ' HD11 ' C' ' 27' ' ' ILE . 21.4 mmm -106.49 122.58 46.58 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.322 -0.622 . . . . 10.9 109.322 178.684 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 94' ' ' ILE . . . . . 0.538 ' HA ' ' O ' ' C' ' 62' ' ' GLU . 84.7 mt -120.41 118.45 56.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 120.83 0.348 . . . . 13.44 110.799 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 95' ' ' LYS . . . . . 0.477 ' HG3' ' OD2' ' A' ' 52' ' ' ASP . 3.4 mmtp -151.0 142.71 15.63 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.111 -0.495 . . . . 14.6 110.856 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 96' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' C' ' 95' ' ' LYS . 5.3 Cg_exo -75.73 59.46 5.67 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 123.152 2.568 . . . . 17.56 112.279 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 10.5 t30 72.23 -82.24 0.0 OUTLIER Pre-proline 0 C--O 1.247 0.936 0 CA-C-O 118.293 -0.861 . . . . 18.17 112.205 179.444 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 98' ' ' PRO . . . . . 0.873 ' N ' HH22 ' A' ' 62' ' ' ARG . . . . . . . . 1 C--N 1.249 -4.699 0 O-C-N 122.615 0.797 . . . . 15.75 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.482 1.156 0 CA-C-O 120.637 0.256 . . . . 10.47 110.571 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 49.0 mtt -74.93 -69.57 0.46 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.012 0.434 . . . . 11.61 110.052 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.0 m -145.19 18.36 1.57 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.075 -0.511 . . . . 10.77 110.45 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 59.64 38.56 21.97 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.552 0.691 . . . . 8.07 109.472 -178.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.4 m -61.93 157.13 19.2 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 114.603 -1.18 . . . . 10.11 111.179 -179.173 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.7 mtmm -55.88 -42.0 75.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.463 -0.335 . . . . 10.66 111.271 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -65.26 -36.22 83.44 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.261 -0.427 . . . . 11.43 111.531 179.568 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -59.97 -44.53 94.4 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-O 121.385 0.612 . . . . 8.91 110.017 179.275 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.4 ' O ' HG13 ' A' ' 26' ' ' ILE . 49.7 mt -76.92 -45.24 31.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.326 -0.852 . . . . 6.35 111.4 -179.336 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.72 -46.52 77.71 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.409 -0.359 . . . . 7.12 111.946 -179.339 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.72 -39.94 86.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.432 -0.349 . . . . 7.6 111.121 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.532 ' HB3' ' HB2' ' A' ' 79' ' ' LEU . 92.1 mt -69.07 -37.35 78.45 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.329 -0.396 . . . . 5.59 111.451 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 22' ' ' ILE . 92.9 mt -65.23 -54.56 27.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 CA-C-N 116.245 -0.434 . . . . 4.33 111.452 -179.733 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 20.8 m -64.43 -35.25 73.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.549 -0.296 . . . . 6.96 111.726 -179.526 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -66.02 -38.85 89.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.087 0.47 . . . . 7.34 110.068 179.272 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -62.52 -48.36 79.89 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.775 -0.648 . . . . 5.51 110.32 179.557 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -64.0 -38.06 89.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 6.35 110.878 179.531 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 49.3 m -64.18 -35.43 80.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 8.01 110.709 178.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.4 m -70.25 -31.7 69.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.122 0.487 . . . . 8.27 110.11 179.416 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.64 HG23 ' HB2' ' A' ' 38' ' ' GLU . 96.3 mt -65.35 -49.32 79.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.716 -0.674 . . . . 8.37 110.725 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 30.7 m -75.54 -20.05 15.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.581 -0.281 . . . . 9.63 111.577 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -63.8 -54.92 27.54 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.046 -0.525 . . . . 10.98 111.403 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.1 pttp -95.9 14.93 21.85 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.166 0.432 . . . . 11.09 112.166 -179.404 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.1 tttm 56.48 60.14 3.27 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.668 -0.696 . . . . 11.72 112.242 179.043 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.64 ' HB2' HG23 ' A' ' 33' ' ' ILE . 57.9 mm-40 -82.51 -24.97 33.85 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.017 -0.538 . . . . 9.58 110.971 179.396 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 15.3 tt -119.91 160.71 20.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.017 -0.538 . . . . 9.5 110.662 -179.603 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -74.18 163.31 28.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.718 -0.219 . . . . 9.96 110.661 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.425 ' CD ' ' H ' ' A' ' 41' ' ' GLU . 9.5 mp0 -55.86 -34.8 65.79 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.903 0.382 . . . . 11.9 111.239 -179.675 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -55.74 -37.96 69.16 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.618 -0.719 . . . . 10.3 111.174 179.555 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -88.51 -27.35 25.09 Favored Glycine 0 N--CA 1.447 -0.581 0 CA-C-N 115.783 -0.644 . . . . 8.47 111.618 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.48 -49.43 76.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.626 0.25 . . . . 8.42 111.268 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -62.65 -32.74 73.84 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.279 0.561 . . . . 9.73 110.484 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 13.3 m -68.27 -42.94 78.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.517 -0.765 . . . . 7.86 110.125 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 94.0 mt -69.9 -32.76 71.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.391 -0.368 . . . . 6.77 110.315 179.331 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 36.7 t30 -56.3 -50.07 72.46 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.61 -0.723 . . . . 9.39 111.154 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.435 ' HB ' ' HD3' ' C' ' 64' ' ' LYS . 6.6 p -75.46 -39.47 40.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.438 -0.346 . . . . 9.6 111.47 179.743 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.22 -47.32 86.64 Favored 'General case' 0 C--N 1.333 -0.123 0 N-CA-C 112.035 0.383 . . . . 7.62 112.035 -179.453 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 13.8 mtm -59.62 -36.67 76.79 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.956 0.354 . . . . 8.19 111.956 -179.378 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.15 -45.02 93.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.933 0.397 . . . . 11.12 110.406 179.433 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.63 ' HB3' ' HB3' ' B' ' 46' ' ' SER . 57.0 m -67.7 -32.51 73.2 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.015 -0.539 . . . . 9.77 111.077 179.342 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 96.6 mt -70.78 -39.06 75.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 121.194 0.521 . . . . 9.06 109.74 178.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.494 ' HB3' ' O ' ' A' ' 60' ' ' PHE . 25.2 m -62.95 -46.0 89.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.722 -0.672 . . . . 10.96 111.366 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -70.12 -24.32 63.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.936 0.398 . . . . 12.89 111.986 -179.377 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.3 -33.63 71.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 11.68 111.352 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.403 ' HB2' ' CE1' ' A' ' 60' ' ' PHE . 72.6 m-85 -94.77 -24.0 17.28 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.327 -0.397 . . . . 11.93 111.792 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 96.32 45.6 2.75 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.667 -0.778 . . . . 13.13 113.228 179.134 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.494 ' O ' ' HB3' ' A' ' 55' ' ' SER . 30.0 p90 -149.97 159.88 44.05 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.839 -0.43 . . . . 12.01 109.839 179.3 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -97.55 144.57 27.1 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.812 0.339 . . . . 14.85 110.724 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 22.6 ttp180 -60.66 -28.96 68.99 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.243 0.544 . . . . 11.66 110.32 179.22 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -82.53 1.04 39.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.031 -0.531 . . . . 13.0 111.452 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -111.75 11.17 20.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.851 0.358 . . . . 12.82 111.487 -179.311 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.4 p -59.99 -40.7 83.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.46 -0.336 . . . . 10.88 111.139 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.1 -32.39 73.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.314 -0.403 . . . . 12.04 110.879 179.519 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -71.33 -42.01 57.85 Favored Glycine 0 N--CA 1.448 -0.526 0 N-CA-C 111.53 -0.628 . . . . 12.77 111.53 179.62 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 59.1 mt -65.53 -41.91 91.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.015 0.436 . . . . 11.54 110.336 179.639 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 97.3 mt -67.1 -27.79 67.64 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.109 -0.496 . . . . 10.42 111.172 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -73.12 -26.59 70.37 Favored Glycine 0 C--N 1.33 0.234 0 C-N-CA 121.096 -0.573 . . . . 12.46 112.711 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -95.75 -16.23 22.07 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.081 0.467 . . . . 14.12 110.855 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.0 m -96.32 163.66 12.98 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.134 -0.484 . . . . 10.83 110.605 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -87.6 51.69 2.29 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.07 0.462 . . . . 10.68 110.611 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -133.32 35.94 3.43 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.798 -0.637 . . . . 8.37 109.605 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.428 ' H ' ' HG2' ' A' ' 75' ' ' LYS . 1.4 mmmm -57.84 107.38 0.45 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.306 -0.861 . . . . 12.83 112.055 -179.125 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 71.82 16.82 76.44 Favored Glycine 0 N--CA 1.453 -0.2 0 CA-C-N 115.703 -0.681 . . . . 9.82 113.406 179.059 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.447 ' HB3' HD11 ' A' ' 82' ' ' ILE . 26.7 mm-40 -104.15 144.5 31.49 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 122.687 -0.302 . . . . 8.93 110.679 -179.43 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 4.2 m80 -119.92 153.41 35.94 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.938 -0.393 . . . . 8.72 109.938 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.532 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 47.6 tp -53.13 -38.42 62.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.969 -0.56 . . . . 4.7 112.08 -179.623 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.87 -58.89 6.2 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.275 0.472 . . . . 5.96 112.275 -179.546 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -62.12 -38.83 90.43 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.424 0.527 . . . . 7.82 112.424 -179.328 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.447 HD11 ' HB3' ' A' ' 77' ' ' GLN . 96.6 mt -62.88 -50.25 80.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.519 0.199 . . . . 5.79 110.89 179.761 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 16.1 tp -63.28 -36.92 85.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.114 0.483 . . . . 5.97 110.728 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -67.35 -25.02 65.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.76 -0.654 . . . . 9.2 111.043 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.9 m -93.48 3.48 55.49 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.923 0.392 . . . . 7.98 111.467 -179.478 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -105.99 85.26 2.18 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.085 0.469 . . . . 7.06 110.504 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.53 128.78 37.6 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.883 -0.599 . . . . 9.21 111.176 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -129.53 96.85 4.37 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.885 -0.598 . . . . 9.55 109.667 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 1.6 m -87.96 121.23 70.8 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 116.266 -0.425 . . . . 12.15 111.394 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -76.91 109.59 2.88 Favored 'Trans proline' 0 N--CA 1.461 -0.427 0 C-N-CA 122.767 2.312 . . . . 12.82 111.97 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -94.6 93.03 7.34 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.117 -0.492 . . . . 14.19 110.228 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.656 -0.688 . . . . 15.67 110.554 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 59.6 ttp . . . . . 0 N--CA 1.482 1.16 0 N-CA-C 111.579 0.215 . . . . 11.23 111.579 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 23.4 mmt -75.52 82.07 2.55 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.728 -0.471 . . . . 13.11 109.728 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 72.3 m 67.56 99.18 0.05 Allowed 'General case' 0 C--N 1.332 -0.177 0 O-C-N 123.808 0.693 . . . . 11.45 110.219 -178.183 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.99 95.81 0.01 OUTLIER 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.81 -0.632 . . . . 8.27 111.938 -179.193 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 14.4 m -96.14 160.32 14.5 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.412 -0.813 . . . . 9.28 109.989 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -53.72 -41.64 67.23 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.197 0.444 . . . . 8.44 112.197 -179.13 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -61.37 -44.89 96.4 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 111.844 0.313 . . . . 9.58 111.844 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.684 ' HB3' ' HE2' ' B' ' 74' ' ' PHE . 16.7 mt-10 -62.74 -42.53 99.71 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 120.92 0.39 . . . . 8.61 110.779 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 46.3 mt -70.15 -46.37 72.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.977 -0.556 . . . . 4.87 111.138 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.38 -42.48 77.93 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.189 -0.459 . . . . 4.42 111.673 -179.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.2 -40.38 81.43 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.119 -0.491 . . . . 5.79 110.983 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 80.4 mt -73.38 -36.92 66.13 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.195 -0.457 . . . . 4.52 111.135 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 90.6 mt -62.82 -51.8 67.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.419 -0.355 . . . . 4.37 110.802 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 29.3 m -66.91 -33.05 60.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.78 0.324 . . . . 6.25 111.072 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -66.5 -44.0 83.78 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.27 -0.423 . . . . 6.91 110.163 179.09 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' TYR . . . . . 0.464 ' O ' HG13 ' B' ' 33' ' ' ILE . 39.7 t80 -57.0 -49.74 74.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.707 -0.679 . . . . 7.07 110.591 179.49 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -61.21 -40.04 92.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.239 -0.437 . . . . 8.36 110.803 179.498 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 39.0 m -64.15 -43.55 94.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.034 -0.53 . . . . 9.5 110.548 179.406 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' SER . . . . . 0.521 ' HA ' ' HG2' ' B' ' 35' ' ' GLU . 48.8 m -66.01 -19.68 65.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.352 -0.385 . . . . 9.77 111.351 179.407 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.607 HG23 ' HB3' ' B' ' 38' ' ' GLU . 79.6 mt -81.95 -48.43 18.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.312 -0.404 . . . . 11.09 110.036 178.776 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 34.7 m -74.44 -33.76 34.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 113.043 0.757 . . . . 12.38 113.043 -178.701 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.521 ' HG2' ' HA ' ' B' ' 32' ' ' SER . 9.5 pt-20 -65.4 -28.5 69.3 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 112.284 0.476 . . . . 13.19 112.284 -179.131 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 36' ' ' LYS . . . . . 0.41 ' HE2' ' HB2' ' B' ' 38' ' ' GLU . 24.3 pttm -103.43 7.95 37.98 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.951 0.405 . . . . 13.7 110.493 179.183 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 53.37 47.42 24.22 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.542 -0.754 . . . . 15.86 112.658 179.781 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 38' ' ' GLU . . . . . 0.607 ' HB3' HG23 ' B' ' 33' ' ' ILE . 82.2 tt0 -70.96 -48.99 50.28 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.938 -0.574 . . . . 12.56 109.84 179.503 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 18.2 tt -98.83 153.51 4.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.091 -0.504 . . . . 13.67 109.827 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.28 153.48 43.57 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.689 -0.232 . . . . 15.14 110.598 179.741 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 41' ' ' GLU . . . . . 0.408 ' HA ' ' HB3' ' B' ' 44' ' ' ALA . 38.6 mp0 -55.23 -30.95 61.04 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 122.874 0.47 . . . . 16.66 112.127 -179.564 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -58.92 -41.28 86.93 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.807 0.337 . . . . 15.52 110.618 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -92.07 -29.09 11.98 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.959 -0.639 . . . . 13.17 112.149 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' ALA . . . . . 0.408 ' HB3' ' HA ' ' B' ' 41' ' ' GLU . . . -62.47 -33.14 74.26 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.757 0.313 . . . . 12.42 110.623 179.74 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.39 -47.95 83.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.743 -0.662 . . . . 13.38 110.144 179.318 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 46' ' ' SER . . . . . 0.63 ' HB3' ' HB3' ' A' ' 53' ' ' CYS . 1.6 m -63.37 -39.96 95.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.682 -0.69 . . . . 11.72 110.802 179.701 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 89.8 mt -65.45 -37.12 85.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.887 0.375 . . . . 9.64 110.875 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -64.61 -48.57 74.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.975 -0.557 . . . . 11.12 111.426 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 27.3 m -69.16 -36.76 74.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 112.031 0.382 . . . . 10.04 112.031 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.44 -34.61 78.33 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.51 -0.552 . . . . 8.26 109.51 178.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 32.9 ttm -62.34 -35.95 80.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.366 -0.834 . . . . 7.93 110.002 178.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -64.07 -44.34 92.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.828 -0.624 . . . . 9.48 110.16 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 74.0 m -58.45 -43.67 88.91 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.773 -0.648 . . . . 8.11 110.628 179.162 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 88.6 mt -62.31 -46.43 96.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.888 -0.597 . . . . 6.13 110.056 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 55' ' ' SER . . . . . 0.575 ' HA ' ' CE1' ' B' ' 60' ' ' PHE . 13.7 m -62.14 -45.99 91.0 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.704 -0.68 . . . . 7.39 111.536 -179.784 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -66.62 -41.34 88.5 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.373 -0.376 . . . . 8.81 111.919 -179.438 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.13 -35.96 82.48 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.56 0.578 . . . . 7.38 112.56 -179.302 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -88.36 -17.49 30.46 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.19 0.441 . . . . 8.09 112.19 -179.432 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.47 53.59 3.04 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.877 -0.677 . . . . 9.43 113.561 179.061 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' PHE . . . . . 0.575 ' CE1' ' HA ' ' B' ' 55' ' ' SER . 14.8 p90 -160.14 164.29 33.07 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 110.026 -0.361 . . . . 8.7 110.026 179.273 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 61' ' ' GLU . . . . . 0.457 ' OE1' ' HD3' ' B' ' 62' ' ' ARG . 2.7 mm-40 -120.2 168.02 11.66 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.612 0.244 . . . . 11.16 110.893 179.207 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 62' ' ' ARG . . . . . 0.457 ' HD3' ' OE1' ' B' ' 61' ' ' GLU . 0.6 OUTLIER -62.54 -32.37 73.31 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.016 -0.538 . . . . 10.74 111.911 -179.078 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 63' ' ' GLU . . . . . 0.5 ' HA ' ' OE1' ' B' ' 63' ' ' GLU . 3.0 tp10 -72.13 -9.19 58.09 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.858 0.361 . . . . 11.8 111.898 -179.23 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -95.47 -10.03 30.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.367 -0.378 . . . . 10.53 111.385 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 5.5 p -60.27 -37.14 72.68 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 N-CA-C 112.181 0.437 . . . . 9.11 112.181 -178.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.21 -34.53 77.85 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.027 0.441 . . . . 10.71 110.876 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -82.02 -36.1 19.43 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.813 -0.708 . . . . 11.05 111.82 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 98.1 mt -65.76 -47.14 86.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 110.315 -0.254 . . . . 9.74 110.315 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 75.6 mt -60.54 -26.9 67.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.34 -0.391 . . . . 9.17 111.207 179.673 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -74.33 -41.2 38.51 Favored Glycine 0 N--CA 1.45 -0.429 0 N-CA-C 111.33 -0.708 . . . . 11.56 111.33 179.149 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 55.6 mttp -73.94 -45.72 48.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.098 0.475 . . . . 12.46 110.276 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 25.1 m -70.94 158.35 36.61 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.365 -0.834 . . . . 9.82 110.329 179.516 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -89.6 51.99 2.23 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.237 0.541 . . . . 10.24 111.524 -179.096 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.684 ' HE2' ' HB3' ' B' ' 21' ' ' GLU . 44.4 m-85 -134.0 15.07 3.9 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.646 -0.707 . . . . 7.68 109.865 179.37 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 6.5 pttm -65.99 128.0 34.31 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.327 -0.851 . . . . 11.56 111.046 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 85.03 8.15 82.62 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.869 -0.681 . . . . 8.65 111.567 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -132.18 150.6 52.12 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.734 0.302 . . . . 7.58 110.255 -179.59 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 26.5 m80 -116.02 165.01 13.6 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.953 -0.758 . . . . 7.9 108.953 178.722 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 45.7 tp -55.16 -42.12 72.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.986 0.422 . . . . 4.14 111.857 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.82 -40.23 96.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 5.79 111.737 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -60.59 -52.41 65.26 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.001 0.429 . . . . 6.75 111.118 -179.362 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 19.7 mt -60.34 -44.56 96.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.613 -0.721 . . . . 4.76 111.459 -179.211 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 86.1 mt -71.13 -18.26 62.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.363 -0.38 . . . . 5.48 111.656 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -77.51 -45.68 24.75 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.429 -0.582 . . . . 7.63 109.429 178.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.25 -28.09 67.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.847 -0.615 . . . . 6.84 110.884 179.18 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -73.4 90.32 1.68 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.112 -0.495 . . . . 6.55 110.643 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 1.4 m -112.99 54.23 0.73 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.924 -0.58 . . . . 8.4 110.859 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 33.4 ttt180 -76.24 134.72 39.75 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.255 -0.646 . . . . 10.35 109.255 179.078 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 4.9 t -96.34 109.75 49.1 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 116.577 -0.283 . . . . 11.96 110.969 -179.232 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -75.2 132.2 14.9 Favored 'Trans proline' 0 C--O 1.236 0.411 0 C-N-CA 122.611 2.207 . . . . 13.1 111.423 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -85.06 126.66 33.76 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.977 0.418 . . . . 14.34 110.865 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 7.1 m . . . . . 0 C--O 1.251 1.175 0 CA-C-O 118.233 -0.889 . . . . 16.55 109.376 179.328 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 20' ' ' VAL . . . . . 0.471 HG12 ' HG ' ' C' ' 22' ' ' LEU . 17.8 t . . . . . 0 C--O 1.233 0.219 0 CA-C-O 121.014 0.435 . . . . 9.95 110.702 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 21' ' ' HIS . . . . . . . . . . . . . 40.6 t60 -80.51 105.53 11.83 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.791 -0.64 . . . . 9.34 110.118 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 22' ' ' LEU . . . . . 0.471 ' HG ' HG12 ' C' ' 20' ' ' VAL . 86.8 mt -114.88 146.98 40.53 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.955 0.407 . . . . 6.88 111.893 -179.409 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 23' ' ' THR . . . . . 0.465 HG23 ' HG2' ' C' ' 35' ' ' GLU . 3.2 m -107.98 116.11 31.36 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.367 -0.833 . . . . 8.91 109.303 178.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 24' ' ' LEU . . . . . . . . . . . . . 35.5 mt -99.97 115.95 30.89 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.688 0.28 . . . . 8.66 110.601 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 25' ' ' LYS . . . . . 0.617 ' HA ' ' O ' ' C' ' 32' ' ' PHE . 6.7 tttt -130.34 132.53 45.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.326 -0.397 . . . . 13.38 112.052 -179.707 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 26' ' ' LYS . . . . . 0.418 ' HA ' ' O ' ' C' ' 92' ' ' VAL . 24.9 ttpp -91.79 138.49 31.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 14.09 110.018 178.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 27' ' ' ILE . . . . . 0.486 HD11 ' HG2' ' C' ' 93' ' ' MET . 12.1 pt -78.03 -42.35 27.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 113.078 0.77 . . . . 14.88 113.078 -179.032 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 19.3 mp0 -83.21 137.82 33.88 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.994 -0.283 . . . . 15.23 111.395 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 29' ' ' ALA . . . . . 0.463 ' HA ' ' C ' ' C' ' 30' ' ' PRO . . . -66.65 145.44 98.94 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.044 -0.526 . . . . 18.5 111.342 179.656 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 30' ' ' PRO . . . . . 0.463 ' C ' ' HA ' ' C' ' 29' ' ' ALA . 51.6 Cg_endo -70.82 137.3 45.56 Favored 'Cis proline' 0 C--N 1.347 0.449 0 C-N-CA 123.254 -1.561 . . . . 17.48 111.563 0.301 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 24.3 mttm -91.02 148.66 22.24 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.157 -0.474 . . . . 17.53 110.184 -179.451 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 32' ' ' PHE . . . . . 0.617 ' O ' ' HA ' ' C' ' 25' ' ' LYS . 43.3 p90 -147.31 150.16 34.23 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.685 -0.487 . . . . 13.5 109.685 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 33' ' ' SER . . . . . . . . . . . . . 42.5 m -133.38 90.29 2.71 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 120.931 0.396 . . . . 12.36 110.123 179.208 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 42.4 pt -103.71 144.24 14.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.192 -0.458 . . . . 10.72 110.446 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 35' ' ' GLU . . . . . 0.465 ' HG2' HG23 ' C' ' 23' ' ' THR . 26.3 mt-10 -119.91 156.42 30.79 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.634 0.254 . . . . 10.54 110.99 -179.436 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 36' ' ' HIS . . . . . . . . . . . . . 26.1 t60 -165.8 145.63 6.45 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.086 -0.506 . . . . 9.85 110.169 178.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -96.46 114.62 26.3 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.282 -0.417 . . . . 9.77 110.219 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 38' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -107.07 -173.95 2.42 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.397 -0.365 . . . . 9.82 110.973 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -110.31 150.2 41.24 Favored Pre-proline 0 C--N 1.328 -0.352 0 N-CA-C 109.837 -0.431 . . . . 11.97 109.837 179.699 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -65.61 -17.44 56.94 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 122.38 2.053 . . . . 12.89 112.213 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.91 -8.49 59.68 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.959 -0.564 . . . . 14.42 110.853 179.647 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -84.34 157.1 21.59 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.939 -0.573 . . . . 11.77 109.976 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 32.8 p -111.8 173.92 6.12 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.222 -0.445 . . . . 11.4 110.108 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 44' ' ' ILE . . . . . 0.721 HD11 HD21 ' C' ' 81' ' ' LEU . 46.3 mm -58.74 -27.08 33.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.176 0.512 . . . . 7.86 110.38 179.181 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 45' ' ' LEU . . . . . 0.784 ' HG ' ' HB3' ' C' ' 74' ' ' ASP . 0.7 OUTLIER -60.14 -37.16 79.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.865 -0.607 . . . . 12.88 110.635 179.239 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 46' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -65.08 -36.74 85.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.011 0.434 . . . . 12.18 110.534 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 61.1 mt -65.92 -43.53 92.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.94 -0.573 . . . . 8.04 109.536 179.133 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -61.98 -43.95 97.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.946 -0.57 . . . . 10.51 109.953 178.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -60.94 -41.46 96.32 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.874 -0.603 . . . . 13.94 109.841 178.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 50' ' ' HIS . . . . . 0.48 ' O ' ' HG2' ' C' ' 54' ' ' GLU . 77.3 t60 -60.43 -42.21 95.61 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.734 -0.666 . . . . 11.16 110.491 179.375 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 43.9 mt -62.31 -35.52 79.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 12.37 110.768 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 52' ' ' ILE . . . . . . . . . . . . . 81.5 mt -70.1 -42.62 79.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.176 -0.465 . . . . 15.35 110.566 179.455 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 1.6 p -67.19 -24.45 65.86 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.89 0.376 . . . . 15.02 111.228 179.509 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 54' ' ' GLU . . . . . 0.48 ' HG2' ' O ' ' C' ' 50' ' ' HIS . 17.6 mm-40 -87.74 8.8 23.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.304 -0.407 . . . . 14.38 110.393 179.14 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 59.14 39.87 22.51 Favored 'General case' 0 C--N 1.334 -0.085 0 CA-C-N 115.781 -0.645 . . . . 18.85 112.079 179.289 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 27.9 mmtm -108.1 -15.72 14.44 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.905 -0.589 . . . . 14.47 110.538 179.374 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -151.77 174.77 13.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.06 -0.518 . . . . 15.28 109.828 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 58' ' ' SER . . . . . . . . . . . . . 74.1 m -120.86 -55.01 2.01 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.303 0.483 . . . . 17.75 112.303 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 59' ' ' HIS . . . . . 0.496 ' HB2' ' HG3' ' C' ' 62' ' ' GLU . 90.9 m-70 -107.8 158.93 16.9 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.941 0.4 . . . . 19.22 111.604 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 31.8 mm -70.85 -40.41 76.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.78 -0.645 . . . . 13.8 111.667 -179.108 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 1.5 m -69.45 -18.07 63.69 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.671 0.619 . . . . 14.67 112.671 -178.471 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 62' ' ' GLU . . . . . 0.496 ' HG3' ' HB2' ' C' ' 59' ' ' HIS . 55.3 mt-10 -75.35 -25.19 57.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.859 0.362 . . . . 16.71 110.856 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 63' ' ' ILE . . . . . . . . . . . . . 5.8 mt -96.32 118.29 42.35 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 CA-C-N 115.765 -0.652 . . . . 10.79 112.171 -178.485 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 64' ' ' LYS . . . . . 0.435 ' HD3' ' HB ' ' A' ' 49' ' ' VAL . 64.1 tttt -120.35 106.55 11.97 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.164 -1.05 . . . . 9.73 108.164 177.315 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 65' ' ' LEU . . . . . 0.666 HD12 HG23 ' C' ' 44' ' ' ILE . 76.7 mt -85.51 147.03 26.64 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.38 -0.373 . . . . 5.89 111.761 -178.365 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 66' ' ' LEU . . . . . 0.554 ' HB2' ' HB ' ' C' ' 91' ' ' THR . 4.3 mp -136.46 144.58 44.46 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.043 -0.526 . . . . 7.57 110.252 179.558 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 67' ' ' LEU . . . . . 0.548 ' HB3' HD21 ' C' ' 72' ' ' LEU . 66.8 tp -141.28 113.79 8.21 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.427 -0.351 . . . . 7.44 110.182 179.197 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 68' ' ' LYS . . . . . 0.402 ' HB3' ' HE3' ' C' ' 68' ' ' LYS . 0.1 OUTLIER 57.3 38.63 28.65 Favored 'General case' 0 N--CA 1.465 0.283 0 O-C-N 123.646 0.591 . . . . 12.88 111.247 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 87.81 -24.9 9.37 Favored Glycine 0 N--CA 1.449 -0.469 0 CA-C-N 115.84 -0.618 . . . . 8.93 113.027 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 70' ' ' LYS . . . . . 0.436 ' HE3' ' HA ' ' C' ' 70' ' ' LYS . 0.1 OUTLIER -82.96 119.3 24.26 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.813 0.339 . . . . 9.44 111.149 -179.576 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 71' ' ' VAL . . . . . . . . . . . . . 44.2 t -67.75 130.04 32.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.042 -0.526 . . . . 7.05 109.947 178.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 72' ' ' LEU . . . . . 0.548 HD21 ' HB3' ' C' ' 67' ' ' LEU . 46.9 mt -91.05 126.02 36.02 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.069 -0.514 . . . . 5.9 110.14 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 73' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -101.99 157.29 16.97 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.034 -0.53 . . . . 8.93 111.145 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 74' ' ' ASP . . . . . 0.784 ' HB3' ' HG ' ' C' ' 45' ' ' LEU . 0.9 OUTLIER -56.55 -31.75 64.48 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.009 -0.541 . . . . 9.91 112.269 -178.917 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 75' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -85.96 30.83 0.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.493 0.553 . . . . 13.36 112.493 -178.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 76' ' ' LEU . . . . . . . . . . . . . 20.6 tp -119.98 134.84 55.12 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.812 -0.44 . . . . 9.58 109.812 179.302 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -85.72 154.81 21.38 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.231 -0.44 . . . . 14.32 110.521 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 78' ' ' LEU . . . . . 0.433 ' HA ' ' HG ' ' C' ' 81' ' ' LEU . 14.8 mt -65.32 -25.45 67.62 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.079 0.4 . . . . 9.53 112.079 -179.058 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 79' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.73 -17.54 63.46 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.996 0.427 . . . . 12.75 111.2 179.527 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 80' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -87.78 -12.18 45.87 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 116.13 -0.486 . . . . 12.44 110.83 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 81' ' ' LEU . . . . . 0.721 HD21 HD11 ' C' ' 44' ' ' ILE . 63.9 mt -69.53 126.33 29.43 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.075 -0.511 . . . . 10.15 110.868 -179.611 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 82' ' ' LYS . . . . . . . . . . . . . 67.9 mmtt -81.97 66.43 7.54 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.111 -0.495 . . . . 12.59 109.871 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 7.6 m -101.78 124.95 55.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 121.454 0.645 . . . . 11.5 111.874 -179.505 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 84' ' ' THR . . . . . 0.493 ' HB ' ' HD2' ' C' ' 85' ' ' PRO . 71.2 p -119.48 173.29 3.64 Favored Pre-proline 0 C--N 1.319 -0.728 0 N-CA-C 108.478 -0.934 . . . . 13.96 108.478 179.661 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 85' ' ' PRO . . . . . 0.493 ' HD2' ' HB ' ' C' ' 84' ' ' THR . 51.5 Cg_exo -58.32 -22.79 59.64 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 121.981 1.787 . . . . 14.91 110.751 178.291 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -85.49 -57.22 3.15 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 115.534 -0.757 . . . . 15.11 110.933 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 87' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -109.38 86.03 2.21 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.582 0.586 . . . . 12.35 112.582 -179.38 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 88' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -115.25 9.49 15.76 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.45 0.643 . . . . 10.32 110.275 178.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 89' ' ' THR . . . . . 0.426 ' HA ' ' HB ' ' C' ' 23' ' ' THR . 3.6 m -93.29 132.72 37.23 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.594 -0.73 . . . . 9.82 111.264 -179.313 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 90' ' ' ILE . . . . . 0.515 HD13 HD13 ' C' ' 67' ' ' LEU . 39.5 mm -104.48 132.66 50.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 109.301 -0.629 . . . . 6.59 109.301 179.608 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 91' ' ' THR . . . . . 0.554 ' HB ' ' HB2' ' C' ' 66' ' ' LEU . 18.9 m -78.6 117.77 20.08 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.502 -0.317 . . . . 8.75 110.56 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 92' ' ' VAL . . . . . 0.418 ' O ' ' HA ' ' C' ' 26' ' ' LYS . 52.7 t -101.19 104.69 16.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.241 -0.436 . . . . 9.58 110.674 179.629 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 93' ' ' MET . . . . . 0.486 ' HG2' HD11 ' C' ' 27' ' ' ILE . 4.8 tmm? -107.0 118.04 35.64 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.734 -0.839 . . . . 10.9 108.734 178.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 94' ' ' ILE . . . . . 0.412 ' HA ' ' O ' ' C' ' 62' ' ' GLU . 76.8 mt -118.79 126.99 75.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.874 0.368 . . . . 13.44 111.34 -179.297 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 95' ' ' LYS . . . . . . . . . . . . . 21.6 mmtp -135.75 129.47 18.34 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 115.916 -0.584 . . . . 14.6 109.705 179.208 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 96' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -64.78 142.94 78.53 Favored 'Trans proline' 0 C--O 1.235 0.344 0 C-N-CA 122.323 2.016 . . . . 17.56 111.732 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 72.42 -85.25 0.0 OUTLIER Pre-proline 0 C--O 1.243 0.756 0 CA-C-O 118.398 -0.811 . . . . 18.17 111.177 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 98' ' ' PRO . . . . . . . . . . . . . . . . . . . . 1 C--N 1.251 -4.594 0 O-C-N 122.732 0.859 . . . . 15.75 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.741 ' N ' ' HG ' ' B' ' 87' ' ' SER . 48.4 ttm . . . . . 0 N--CA 1.479 1.009 0 CA-C-O 120.623 0.249 . . . . 10.47 111.56 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 24.8 mmt -79.25 -62.63 1.64 Allowed 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 121.008 -0.277 . . . . 11.61 111.023 -179.286 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.8 m -150.85 -35.37 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 111.962 0.356 . . . . 10.77 111.962 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 56.93 64.49 1.63 Allowed 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.304 0.573 . . . . 8.07 110.318 -179.35 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 m -64.55 169.98 4.39 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.321 -0.854 . . . . 10.11 112.575 -178.518 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 39.0 mmtm -53.77 -46.88 71.1 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.706 -0.679 . . . . 10.66 111.96 -179.212 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.4 pm0 -67.12 -35.34 79.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.354 -0.385 . . . . 11.43 111.917 -179.257 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -65.11 -43.11 93.07 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.138 0.494 . . . . 8.91 110.325 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.619 HG12 HD23 ' B' ' 83' ' ' LEU . 63.9 mt -69.31 -43.99 80.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.834 -0.621 . . . . 6.35 109.966 179.042 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.455 ' HA ' HD12 ' A' ' 26' ' ' ILE . . . -61.47 -35.57 78.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.895 -0.593 . . . . 7.12 111.133 179.698 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.0 -41.6 92.43 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.877 -0.601 . . . . 7.6 110.451 179.474 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.629 HD12 HD21 ' B' ' 83' ' ' LEU . 25.3 mt -70.94 -32.6 69.56 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.298 -0.41 . . . . 5.59 111.05 179.572 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.455 HD12 ' HA ' ' A' ' 23' ' ' ALA . 91.4 mt -64.5 -52.18 58.46 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-N 116.069 -0.514 . . . . 4.33 110.111 179.537 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.2 m -67.09 -33.91 66.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.973 0.416 . . . . 6.96 110.715 179.603 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -63.94 -38.98 93.06 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.937 -0.574 . . . . 7.34 109.521 178.692 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.529 ' O ' HG13 ' A' ' 33' ' ' ILE . 37.0 t80 -62.34 -52.14 64.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.802 -0.636 . . . . 5.51 110.03 179.112 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -57.01 -42.92 81.2 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.092 -0.504 . . . . 6.35 110.728 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.503 ' O ' ' HG2' ' A' ' 35' ' ' GLU . 20.4 m -62.6 -44.21 96.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.944 -0.571 . . . . 8.01 110.821 179.656 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 17.3 m -63.01 -34.95 78.65 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.338 -0.392 . . . . 8.27 111.239 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.529 HG13 ' O ' ' A' ' 29' ' ' TYR . 84.2 mt -63.28 -46.42 95.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.498 -0.319 . . . . 8.37 110.66 179.506 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.419 HG22 ' O ' ' A' ' 31' ' ' SER . 5.3 m -72.09 -18.43 19.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 112.149 0.425 . . . . 9.63 112.149 -179.321 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.503 ' HG2' ' O ' ' A' ' 31' ' ' SER . 34.4 mm-40 -71.43 -35.95 71.11 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.109 0.481 . . . . 10.98 110.476 179.383 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.8 pttt -105.55 6.91 32.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.953 -0.567 . . . . 11.09 111.119 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 52.4 45.88 27.7 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 115.795 -0.639 . . . . 11.72 111.45 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -80.21 9.32 5.82 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.994 -0.548 . . . . 9.58 111.706 -179.39 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 9.5 tp -147.87 157.67 8.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.217 -0.66 . . . . 9.5 109.217 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.56 151.16 45.32 Favored 'General case' 0 N--CA 1.451 -0.405 0 O-C-N 123.117 0.26 . . . . 9.96 110.434 179.73 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -52.93 -42.52 65.49 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.435 -0.348 . . . . 11.9 111.55 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.59 -39.01 86.52 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.157 -0.474 . . . . 10.3 111.192 179.648 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.12 -43.0 49.54 Favored Glycine 0 N--CA 1.447 -0.584 0 N-CA-C 110.932 -0.867 . . . . 8.47 110.932 179.289 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.6 -37.16 80.48 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.115 0.483 . . . . 8.42 109.996 179.044 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.637 ' OD2' ' HA ' ' C' ' 70' ' ' LYS . 22.8 t70 -59.66 -48.73 80.53 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.327 -0.851 . . . . 9.73 109.92 178.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 50.8 m -65.92 -37.45 86.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.88 -0.6 . . . . 7.86 111.281 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 63.6 mt -65.38 -36.68 84.72 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.811 0.339 . . . . 6.77 111.003 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 -68.69 -43.6 75.73 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.053 -0.521 . . . . 9.39 111.811 -179.472 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.881 HG21 ' HA2' ' C' ' 69' ' ' GLY . 9.6 m -65.69 -36.71 78.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 120.895 0.378 . . . . 9.6 111.062 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.455 ' O ' HG13 ' A' ' 54' ' ' ILE . . . -70.59 -38.85 74.06 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.99 -0.55 . . . . 7.62 109.64 179.278 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 30.5 ttm -58.49 -43.03 88.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.506 -0.77 . . . . 8.19 110.403 179.319 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -61.54 -39.83 92.49 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.96 -0.564 . . . . 11.12 110.751 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 34.9 m -67.61 -32.55 73.35 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.122 -0.49 . . . . 9.77 111.425 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.455 HG13 ' O ' ' A' ' 50' ' ' ALA . 97.3 mt -62.87 -43.11 98.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 9.06 110.491 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.33 -45.01 88.92 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.858 -0.61 . . . . 10.96 111.053 179.682 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.424 ' H ' ' HG2' ' A' ' 56' ' ' GLU . 2.9 mm-40 -65.89 -36.66 84.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.912 -0.585 . . . . 12.89 111.108 -179.679 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.76 -49.86 69.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 11.68 112.222 -179.233 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.41 ' HB2' ' CD1' ' A' ' 60' ' ' PHE . 91.5 m-85 -81.21 -12.86 59.05 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.274 0.472 . . . . 11.93 112.274 -179.008 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 77.11 49.83 7.25 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.696 -0.764 . . . . 13.13 113.175 179.023 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.41 ' CD1' ' HB2' ' A' ' 58' ' ' PHE . 24.4 p90 -146.6 152.11 38.39 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.663 -0.495 . . . . 12.01 109.663 179.206 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -74.92 135.28 41.45 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.875 0.369 . . . . 14.85 110.982 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.413 ' HE ' ' HB3' ' A' ' 62' ' ' ARG . 10.4 ttp180 -58.64 -42.42 88.26 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.875 -0.602 . . . . 11.66 110.926 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 29.0 mp0 -81.38 3.92 22.64 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.042 -0.527 . . . . 13.0 111.746 -179.47 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -102.26 8.51 40.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.173 0.511 . . . . 12.82 110.606 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.3 p -58.99 -39.8 79.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.497 -0.774 . . . . 10.88 111.606 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -64.77 -36.93 85.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.817 0.342 . . . . 12.04 110.997 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -64.0 -42.17 98.32 Favored Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 111.642 -0.583 . . . . 12.77 111.642 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 60.4 mt -70.11 -52.52 29.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 110.046 -0.353 . . . . 11.54 110.046 179.517 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.437 ' O ' ' HB3' ' A' ' 75' ' ' LYS . 27.2 mt -57.0 -35.12 68.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 10.42 112.114 -179.61 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -58.66 -28.5 62.83 Favored Glycine 0 CA--C 1.519 0.331 0 C-N-CA 121.283 -0.484 . . . . 12.46 113.326 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -108.99 13.26 24.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.029 0.443 . . . . 14.12 110.812 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 46.6 m -103.57 166.43 10.43 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.096 -0.502 . . . . 10.83 110.71 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.432 ' H ' ' HG2' ' A' ' 73' ' ' GLU . 6.6 pt-20 -74.31 -21.92 59.5 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.152 -0.476 . . . . 10.68 110.876 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -93.62 34.64 1.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.994 -0.548 . . . . 8.37 111.34 -179.341 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.437 ' HB2' ' HE3' ' A' ' 75' ' ' LYS . 17.1 ptmt -79.12 135.37 36.82 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.345 -0.389 . . . . 12.83 111.258 -179.713 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 75.0 17.5 80.26 Favored Glycine 0 N--CA 1.449 -0.472 0 CA-C-N 115.752 -0.658 . . . . 9.82 112.465 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.414 ' HB2' HD11 ' A' ' 82' ' ' ILE . 26.7 mm-40 -125.07 170.59 11.03 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 110.147 -0.316 . . . . 8.93 110.147 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 24.8 m80 -130.61 154.34 47.96 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.028 -0.73 . . . . 8.72 109.028 179.249 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 20.4 tp -59.46 -27.93 66.53 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.963 0.411 . . . . 4.7 111.11 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.09 -59.43 3.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.082 -0.508 . . . . 5.96 111.905 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.81 -40.86 94.31 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 112.898 0.703 . . . . 7.82 112.898 -179.114 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.414 HD11 ' HB2' ' A' ' 77' ' ' GLN . 86.8 mt -61.25 -48.26 89.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 120.745 0.307 . . . . 5.79 111.344 179.647 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.9 mp -71.07 -27.77 63.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.284 -0.416 . . . . 5.97 111.738 -179.341 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -73.56 -33.02 64.47 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.154 0.502 . . . . 9.2 110.462 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.8 m -82.12 -10.79 59.06 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.921 -0.582 . . . . 7.98 110.918 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -77.66 93.61 4.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.911 -0.586 . . . . 7.06 110.411 179.588 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.504 ' HA ' ' SD ' ' B' ' 14' ' ' MET . 0.9 OUTLIER -69.77 113.71 7.28 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.68 -0.691 . . . . 9.21 111.006 -179.819 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -125.56 112.85 16.67 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.116 -0.493 . . . . 9.55 109.917 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 16.0 t -101.6 120.95 52.97 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 116.19 -0.459 . . . . 12.15 110.379 -179.371 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.566 ' HD3' ' HB3' ' B' ' 73' ' ' GLU . 46.8 Cg_endo -70.09 87.59 0.59 Allowed 'Trans proline' 0 C--O 1.234 0.318 0 C-N-CA 122.554 2.169 . . . . 12.82 111.968 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -80.41 73.26 7.3 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.924 -0.58 . . . . 14.19 110.725 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.252 1.194 0 CA-C-O 118.58 -0.724 . . . . 15.67 110.124 179.906 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 14' ' ' MET . . . . . 0.504 ' SD ' ' HA ' ' A' ' 87' ' ' SER . 34.6 ttp . . . . . 0 N--CA 1.484 1.234 0 CA-C-O 120.309 0.1 . . . . 11.23 110.938 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 22.7 mmt -61.79 94.03 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.549 -0.296 . . . . 13.11 110.388 179.068 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 15.2 m 61.35 75.61 0.4 Allowed 'General case' 0 C--O 1.232 0.142 0 O-C-N 123.653 0.596 . . . . 11.45 109.861 -178.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -41.66 100.34 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.406 0 O-C-N 123.984 0.803 . . . . 8.27 112.643 -179.022 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 1.3 m -84.77 166.53 16.88 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.175 -0.92 . . . . 9.28 111.2 -179.616 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 1.1 mppt? -59.05 -42.17 89.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.075 -0.512 . . . . 8.44 111.376 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 7.4 pm0 -65.55 -36.64 84.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.478 -0.328 . . . . 9.58 111.595 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -61.88 -49.54 75.82 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 120.997 0.427 . . . . 8.61 110.114 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 67.8 mt -68.55 -40.98 82.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.509 -0.769 . . . . 4.87 111.0 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.95 -41.96 88.69 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.266 -0.424 . . . . 4.42 111.126 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.4 -40.21 93.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.05 -0.523 . . . . 5.79 110.557 179.583 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 87.5 mt -70.04 -34.16 72.88 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.198 -0.455 . . . . 4.52 110.696 179.686 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 96.0 mt -64.63 -52.42 54.97 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 CA-C-N 116.031 -0.531 . . . . 4.37 110.58 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 16.9 m -66.35 -32.95 60.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.447 -0.342 . . . . 6.25 110.893 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -64.94 -40.97 95.85 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.413 -0.588 . . . . 6.91 109.413 178.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -61.44 -49.97 74.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.574 -0.739 . . . . 7.07 110.306 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -62.79 -40.5 97.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 8.36 110.919 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 50.4 m -62.98 -36.1 82.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.401 -0.363 . . . . 9.5 110.681 179.199 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' SER . . . . . 0.525 ' HA ' ' HG2' ' B' ' 35' ' ' GLU . 44.7 m -69.84 -25.66 63.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 9.77 110.754 179.674 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.839 HG23 ' HB2' ' B' ' 38' ' ' GLU . 95.5 mt -78.99 -44.59 24.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.304 -0.407 . . . . 11.09 110.771 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 34.1 m -74.45 -31.31 27.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 113.229 0.826 . . . . 12.38 113.229 -178.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.525 ' HG2' ' HA ' ' B' ' 32' ' ' SER . 5.3 pt-20 -58.78 -39.73 81.92 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.448 0.536 . . . . 13.19 112.448 -179.384 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 36' ' ' LYS . . . . . 0.442 ' N ' ' HG3' ' B' ' 35' ' ' GLU . 14.2 pttm -111.1 19.16 18.69 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.9 0.381 . . . . 13.7 111.34 -179.659 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 78.0 tttt 43.7 70.35 0.32 Allowed 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 113.929 1.085 . . . . 15.86 113.929 179.221 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' GLU . . . . . 0.839 ' HB2' HG23 ' B' ' 33' ' ' ILE . 45.0 mt-10 -86.42 -10.11 54.94 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.298 0.57 . . . . 12.56 109.938 178.673 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 39' ' ' ILE . . . . . 0.419 HG23 ' HB2' ' B' ' 44' ' ' ALA . 20.1 tt -137.27 152.32 27.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.481 -0.781 . . . . 13.67 109.978 -179.395 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.41 163.8 20.06 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.649 -0.25 . . . . 15.14 111.309 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 41' ' ' GLU . . . . . 0.401 ' O ' ' HB3' ' B' ' 45' ' ' ASP . 49.7 mp0 -57.74 -29.66 64.95 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 116.501 -0.318 . . . . 16.66 111.779 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.36 -27.87 62.67 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.417 -0.356 . . . . 15.52 111.013 179.598 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -108.45 -39.53 1.76 Allowed Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.971 -0.633 . . . . 13.17 111.781 178.642 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' ALA . . . . . 0.419 ' HB2' HG23 ' B' ' 39' ' ' ILE . . . -60.82 -50.93 71.46 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.427 0.529 . . . . 12.42 112.427 -179.301 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 45' ' ' ASP . . . . . 0.401 ' HB3' ' O ' ' B' ' 41' ' ' GLU . 1.1 t70 -60.78 -30.97 70.36 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.445 0.641 . . . . 13.38 111.264 -179.464 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 1.5 m -73.82 -21.83 60.0 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.774 -0.648 . . . . 11.72 110.85 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 95.3 mt -80.47 -27.7 37.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.097 -0.502 . . . . 9.64 110.893 179.552 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -57.86 -43.95 86.26 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.161 -0.472 . . . . 11.12 111.004 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 13.6 p -79.43 -30.28 13.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.998 0.428 . . . . 10.04 110.717 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.19 -47.74 78.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.164 -0.471 . . . . 8.26 110.883 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 68.1 mtm -61.56 -36.17 79.86 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.14 -0.482 . . . . 7.93 110.774 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -60.54 -48.59 81.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.853 -0.612 . . . . 9.48 109.894 179.156 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 36.7 m -62.38 -39.82 94.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.58 -0.736 . . . . 8.11 110.97 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 97.8 mt -63.43 -39.49 85.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.3 -0.409 . . . . 6.13 110.458 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 55' ' ' SER . . . . . 0.515 ' HA ' ' CE1' ' B' ' 60' ' ' PHE . 19.4 m -59.23 -48.14 82.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.847 -0.615 . . . . 7.39 111.194 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -73.56 -25.89 60.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.281 -0.418 . . . . 8.81 111.462 -179.614 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.1 -43.51 87.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.267 -0.424 . . . . 7.38 111.935 -179.611 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -91.66 -11.82 35.93 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.966 0.412 . . . . 8.09 111.415 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.09 51.39 5.05 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.776 -0.726 . . . . 9.43 112.808 179.446 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' PHE . . . . . 0.515 ' CE1' ' HA ' ' B' ' 55' ' ' SER . 36.9 p90 -139.54 147.33 41.06 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.83 0.348 . . . . 8.7 110.775 179.122 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -73.25 136.46 44.62 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.986 -0.552 . . . . 11.16 110.846 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 18.5 ttp180 -66.73 -27.77 67.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.204 0.526 . . . . 10.74 110.098 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -89.73 6.94 39.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.795 -0.639 . . . . 11.8 110.838 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -111.73 17.23 20.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.415 -0.357 . . . . 10.53 111.093 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 3.2 p -58.94 -46.45 91.44 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-N 116.247 -0.433 . . . . 9.11 111.844 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 1.2 m -69.25 -24.34 63.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.058 0.456 . . . . 10.71 110.603 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -69.0 -41.16 82.99 Favored Glycine 0 N--CA 1.446 -0.64 0 N-CA-C 111.332 -0.707 . . . . 11.05 111.332 179.151 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 56.1 mt -69.95 -45.17 77.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 109.766 -0.457 . . . . 9.74 109.766 179.183 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 96.9 mt -62.91 -31.18 72.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.948 -0.569 . . . . 9.17 110.627 179.392 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -77.66 -21.04 72.96 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.83 -0.7 . . . . 11.56 111.652 179.428 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 17.0 tttp -85.33 -59.88 2.19 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.792 0.33 . . . . 12.46 110.218 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 1.2 m -71.0 166.85 20.46 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.074 -0.512 . . . . 9.82 110.549 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.566 ' HB3' ' HD3' ' A' ' 90' ' ' PRO . 1.0 OUTLIER -80.65 44.61 0.73 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.019 0.438 . . . . 10.24 111.253 179.887 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -121.09 14.61 11.45 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.078 0.466 . . . . 7.68 110.889 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 75' ' ' LYS . . . . . 0.533 ' H ' ' HD2' ' B' ' 75' ' ' LYS . 0.0 OUTLIER -67.64 130.35 42.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.984 -0.553 . . . . 11.56 110.669 179.788 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 76.0 20.63 77.48 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.927 -0.654 . . . . 8.65 112.494 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 -132.19 130.7 41.38 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.765 0.317 . . . . 7.58 110.851 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 30.5 m80 -104.91 159.12 16.05 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.031 -0.729 . . . . 7.9 109.031 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 35.1 tp -55.62 -40.81 72.62 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.477 -0.329 . . . . 4.14 111.827 -179.533 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.5 -45.17 94.24 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.343 -0.39 . . . . 5.79 111.503 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -59.9 -56.18 24.88 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 116.163 -0.471 . . . . 6.75 110.596 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 80.2 mt -56.08 -50.82 67.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.174 -0.921 . . . . 4.76 112.3 -179.055 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 83' ' ' LEU . . . . . 0.629 HD21 HD12 ' A' ' 25' ' ' LEU . 10.9 tp -59.15 -41.35 88.12 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.779 0.659 . . . . 5.48 112.779 -178.46 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -72.48 -30.72 64.79 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 111.857 0.317 . . . . 7.63 111.857 -179.097 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 27.1 p -80.83 -39.34 26.74 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.866 0.321 . . . . 6.84 111.866 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -98.35 68.72 1.91 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.158 0.504 . . . . 6.55 111.457 -179.281 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 87' ' ' SER . . . . . 0.741 ' HG ' ' N ' ' A' ' 14' ' ' MET . 1.4 m -108.6 144.22 36.6 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.158 -0.474 . . . . 8.4 110.259 179.605 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 53.1 mtp180 -106.31 157.34 17.67 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.571 0.225 . . . . 10.35 110.773 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 42.7 t -91.42 120.12 68.41 Favored Pre-proline 0 C--N 1.325 -0.497 0 N-CA-C 109.563 -0.532 . . . . 11.96 109.563 179.256 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.88 60.58 6.11 Favored 'Trans proline' 0 C--O 1.234 0.285 0 C-N-CA 122.948 2.432 . . . . 13.1 112.437 -179.659 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -65.96 103.67 0.98 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.053 -0.521 . . . . 14.34 110.577 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 6.2 m . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.241 -0.885 . . . . 16.55 110.244 -179.583 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 56.9 t . . . . . 0 C--O 1.231 0.113 0 N-CA-C 109.814 -0.439 . . . . 9.95 109.814 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 21' ' ' HIS . . . . . . . . . . . . . 67.6 t60 -89.54 114.83 26.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.331 -0.395 . . . . 9.34 110.956 -179.398 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 22' ' ' LEU . . . . . . . . . . . . . 95.9 mt -118.56 153.94 33.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.317 -0.401 . . . . 6.88 111.514 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 23' ' ' THR . . . . . . . . . . . . . 23.1 m -115.71 123.07 47.37 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.262 -0.644 . . . . 8.91 109.262 179.4 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 24' ' ' LEU . . . . . 0.68 HD13 HD21 ' C' ' 51' ' ' LEU . 25.1 mt -101.87 121.89 42.97 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.826 0.346 . . . . 8.66 111.55 -179.057 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 19.5 tptm -127.98 117.61 22.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.047 -0.524 . . . . 13.38 110.529 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 26' ' ' LYS . . . . . 0.617 ' HE3' ' HD1' ' C' ' 32' ' ' PHE . 25.5 ttpp -90.91 140.69 29.58 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.425 -0.352 . . . . 14.09 111.522 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 27' ' ' ILE . . . . . 0.531 ' O ' ' HE2' ' C' ' 31' ' ' LYS . 62.9 mt -86.24 -47.61 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.024 -0.534 . . . . 14.88 111.152 179.558 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 23.6 mp0 -65.15 133.89 52.56 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.792 0.329 . . . . 15.23 110.897 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.29 142.39 94.67 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 116.002 -0.544 . . . . 18.5 111.019 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 30' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -76.46 135.86 41.81 Favored 'Cis proline' 0 C--O 1.234 0.324 0 C-N-CA 123.454 -1.478 . . . . 17.48 111.51 -0.256 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 31' ' ' LYS . . . . . 0.531 ' HE2' ' O ' ' C' ' 27' ' ' ILE . 90.6 mttt -76.17 127.6 33.25 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.145 -0.479 . . . . 17.53 110.712 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 32' ' ' PHE . . . . . 0.634 ' HE2' HG12 ' C' ' 34' ' ' ILE . 9.7 p90 -122.34 154.68 37.33 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.173 -0.467 . . . . 13.5 110.168 179.257 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 33' ' ' SER . . . . . 0.51 ' HA ' ' O ' ' C' ' 24' ' ' LEU . 2.2 m -140.87 103.57 4.52 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.125 -0.489 . . . . 12.36 109.978 179.31 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 34' ' ' ILE . . . . . 0.634 HG12 ' HE2' ' C' ' 32' ' ' PHE . 46.9 pt -123.26 153.59 28.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.407 -0.36 . . . . 10.72 110.84 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 35' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -121.02 138.14 54.31 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.243 -0.435 . . . . 10.54 110.355 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 36' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -153.4 151.18 29.62 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.879 0.371 . . . . 9.85 111.062 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -98.03 134.06 41.65 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.597 -0.729 . . . . 9.77 110.353 179.733 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 38' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -127.31 -179.02 4.67 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.001 -0.74 . . . . 9.82 109.001 179.031 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 2.5 m -108.38 150.73 40.96 Favored Pre-proline 0 C--N 1.325 -0.494 0 C-N-CA 121.178 -0.209 . . . . 11.97 110.512 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_exo -66.53 -17.81 53.6 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.718 2.279 . . . . 12.89 110.907 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.38 -15.66 54.57 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.393 -0.821 . . . . 14.42 111.083 179.69 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -80.99 163.76 23.03 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.311 -0.404 . . . . 11.77 110.611 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 77.2 p -111.33 173.85 6.15 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.268 -0.423 . . . . 11.4 110.555 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 44' ' ' ILE . . . . . 0.668 HD11 HD21 ' C' ' 81' ' ' LEU . 42.6 mm -63.27 -27.67 43.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.257 0.551 . . . . 7.86 109.865 178.83 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 53.8 tp -59.8 -38.97 83.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.504 -0.771 . . . . 12.88 110.72 179.524 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 46' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -61.61 -38.41 87.51 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.213 -0.448 . . . . 12.18 111.459 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 53.8 mt -63.92 -43.12 97.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 109.694 -0.484 . . . . 8.04 109.694 179.254 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -63.39 -44.25 95.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.587 -0.733 . . . . 10.51 110.082 179.192 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -62.25 -35.35 78.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.798 -0.637 . . . . 13.94 110.666 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 50' ' ' HIS . . . . . 0.543 ' O ' ' HG2' ' C' ' 54' ' ' GLU . 3.4 t60 -72.69 -29.35 63.33 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.826 -0.624 . . . . 11.16 111.435 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 51' ' ' LEU . . . . . 0.68 HD21 HD13 ' C' ' 24' ' ' LEU . 65.7 mt -65.07 -34.36 78.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.934 0.397 . . . . 12.37 110.996 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 52' ' ' ILE . . . . . . . . . . . . . 40.8 mt -69.52 -38.23 76.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.012 -0.54 . . . . 15.35 110.529 179.394 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 1.4 p -70.66 -19.45 62.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.834 0.35 . . . . 15.02 111.341 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 54' ' ' GLU . . . . . 0.543 ' HG2' ' O ' ' C' ' 50' ' ' HIS . 30.5 mm-40 -93.81 7.44 44.88 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.464 -0.334 . . . . 14.38 110.374 179.205 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 61.39 38.06 16.41 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.693 -0.685 . . . . 18.85 111.859 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -118.08 7.32 12.18 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.92 -0.582 . . . . 14.47 111.148 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -162.47 171.49 16.99 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.161 -0.472 . . . . 15.28 110.483 -179.498 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 58' ' ' SER . . . . . . . . . . . . . 1.1 t -122.52 -63.99 1.23 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.512 -0.313 . . . . 17.75 110.807 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 59' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 -113.02 149.69 32.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.852 0.358 . . . . 19.22 111.048 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 39.4 mm -63.79 -33.8 64.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.945 -0.57 . . . . 13.8 111.661 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.55 -13.08 62.14 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.575 0.584 . . . . 14.67 112.575 -178.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 62' ' ' GLU . . . . . 0.459 ' O ' ' HA ' ' C' ' 94' ' ' ILE . 33.4 mt-10 -94.92 -11.06 29.33 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.98 0.419 . . . . 16.71 111.316 -178.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 63' ' ' ILE . . . . . . . . . . . . . 19.7 mt -94.17 105.12 16.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 112.666 0.617 . . . . 10.79 112.666 -178.117 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 64' ' ' LYS . . . . . . . . . . . . . 31.9 mtmt -102.45 108.44 19.75 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.932 -0.766 . . . . 9.73 108.932 178.342 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 65' ' ' LEU . . . . . 0.518 ' HB3' HD12 ' C' ' 72' ' ' LEU . 61.6 mt -97.68 135.62 39.22 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.628 0.251 . . . . 5.89 110.717 -179.394 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 66' ' ' LEU . . . . . 0.605 HD13 ' HB ' ' A' ' 49' ' ' VAL . 5.6 mt -132.4 152.8 51.33 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.217 -0.447 . . . . 7.57 110.678 -179.611 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 67' ' ' LEU . . . . . 0.407 HD13 HD13 ' C' ' 90' ' ' ILE . 55.0 tp -139.23 106.17 5.43 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.705 -0.48 . . . . 7.44 109.705 178.753 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 58.0 32.31 21.8 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.236 0.541 . . . . 12.88 110.997 -179.52 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 69' ' ' GLY . . . . . 0.881 ' HA2' HG21 ' A' ' 49' ' ' VAL . . . 95.8 -8.85 68.4 Favored Glycine 0 N--CA 1.446 -0.68 0 CA-C-N 115.725 -0.671 . . . . 8.93 112.966 179.642 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 70' ' ' LYS . . . . . 0.637 ' HA ' ' OD2' ' A' ' 45' ' ' ASP . 0.3 OUTLIER -87.62 126.23 34.83 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.63 0.215 . . . . 9.44 111.389 -179.605 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 71' ' ' VAL . . . . . . . . . . . . . 70.5 t -72.33 112.44 8.03 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 N-CA-C 109.238 -0.653 . . . . 7.05 109.238 178.123 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 72' ' ' LEU . . . . . 0.518 HD12 ' HB3' ' C' ' 65' ' ' LEU . 81.4 mt -72.52 108.61 5.67 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.979 -0.555 . . . . 5.9 111.078 -179.373 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 73' ' ' HIS . . . . . 0.42 ' HB2' ' HB2' ' C' ' 76' ' ' LEU . 96.2 m-70 -68.5 141.97 55.42 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.194 -0.912 . . . . 8.93 110.462 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -56.68 -38.28 72.04 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 112.516 0.562 . . . . 9.91 112.516 -178.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 75' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -91.09 13.15 17.69 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.955 0.354 . . . . 13.36 111.955 -179.367 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 76' ' ' LEU . . . . . 0.42 ' HB2' ' HB2' ' C' ' 73' ' ' HIS . 40.9 tp -83.05 133.77 35.06 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.725 -0.472 . . . . 9.58 109.725 179.367 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -84.15 148.37 26.8 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.093 -0.503 . . . . 14.32 110.874 -179.525 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 78' ' ' LEU . . . . . 0.594 ' HA ' ' HG ' ' C' ' 81' ' ' LEU . 26.5 mt -68.84 -14.81 63.26 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.992 -0.549 . . . . 9.53 111.623 -179.488 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.08 -7.32 55.51 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.306 -0.406 . . . . 12.75 111.482 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 80' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -109.15 -0.3 19.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.022 0.439 . . . . 12.44 110.897 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 81' ' ' LEU . . . . . 0.668 HD21 HD11 ' C' ' 44' ' ' ILE . 37.1 mt -66.17 126.61 29.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.472 . . . . 10.15 111.28 -179.563 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 82' ' ' LYS . . . . . . . . . . . . . 41.3 mmtm -82.47 65.19 7.48 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.015 -0.538 . . . . 12.59 109.93 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 14.5 m -104.93 144.63 14.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.169 -0.469 . . . . 11.5 111.215 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 84' ' ' THR . . . . . . . . . . . . . 32.6 p -132.48 167.46 22.46 Favored Pre-proline 0 C--N 1.32 -0.678 0 N-CA-C 108.662 -0.866 . . . . 13.96 108.662 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 85' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -58.49 -23.73 65.76 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.594 2.196 . . . . 14.91 111.704 179.355 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -81.45 -40.02 23.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.242 -0.435 . . . . 15.11 111.3 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 87' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -131.38 101.74 5.67 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.631 0.604 . . . . 12.35 112.631 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 88' ' ' SER . . . . . . . . . . . . . 18.9 m -123.02 17.18 10.05 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.988 -0.745 . . . . 10.32 108.988 178.591 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 89' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.95 125.83 34.73 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.147 -0.933 . . . . 9.82 111.448 -179.259 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 90' ' ' ILE . . . . . 0.407 HD13 HD13 ' C' ' 67' ' ' LEU . 46.9 mm -98.4 129.43 48.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 109.117 -0.697 . . . . 6.59 109.117 179.118 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 91' ' ' THR . . . . . 0.59 ' HB ' ' HB2' ' C' ' 66' ' ' LEU . 1.0 OUTLIER -80.52 112.09 17.55 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.098 -0.501 . . . . 8.75 110.399 -179.7 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 92' ' ' VAL . . . . . 0.543 ' O ' ' HA ' ' C' ' 26' ' ' LYS . 31.6 t -102.51 114.89 43.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 116.107 -0.497 . . . . 9.58 111.015 -179.697 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 93' ' ' MET . . . . . . . . . . . . . 2.6 mtm -120.16 120.84 37.34 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.613 -0.514 . . . . 10.9 109.613 178.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 94' ' ' ILE . . . . . 0.459 ' HA ' ' O ' ' C' ' 62' ' ' GLU . 80.7 mt -119.57 119.06 59.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.151 0.501 . . . . 13.44 111.929 -178.785 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 95' ' ' LYS . . . . . . . . . . . . . 70.8 mttt -129.24 139.45 35.72 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 115.344 -0.844 . . . . 14.6 109.324 179.361 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 96' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -71.26 128.83 15.16 Favored 'Trans proline' 0 C--O 1.235 0.367 0 C-N-CA 122.263 1.975 . . . . 17.56 112.371 -179.45 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 70.45 -79.99 0.0 OUTLIER Pre-proline 0 C--O 1.248 0.99 0 CA-C-O 118.584 -0.722 . . . . 18.17 111.499 179.466 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 98' ' ' PRO . . . . . . . . . . . . . . . . . . . . 1 C--N 1.248 -4.74 0 O-C-N 122.701 0.842 . . . . 15.75 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.602 ' HG2' ' HA ' ' B' ' 87' ' ' SER . 1.4 tmt? . . . . . 0 N--CA 1.478 0.964 0 N-CA-C 110.441 -0.207 . . . . 10.47 110.441 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 14.8 mmt -69.22 -49.94 51.84 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.159 0.504 . . . . 11.61 110.461 -179.579 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.5 m -150.45 -15.26 0.24 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.857 -0.61 . . . . 10.77 110.686 178.531 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 63.4 44.51 5.39 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 109.035 -0.728 . . . . 8.07 109.035 -178.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.428 ' HB2' ' OE1' ' A' ' 20' ' ' GLU . 0.3 OUTLIER -71.67 176.91 4.44 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 114.624 -1.171 . . . . 10.11 110.503 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.404 ' HD3' ' HG3' ' B' ' 38' ' ' GLU . 13.0 mtmt -53.11 -40.8 64.43 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.199 0.444 . . . . 10.66 112.199 -179.412 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.428 ' OE1' ' HB2' ' A' ' 18' ' ' SER . 2.9 pm0 -71.17 -36.56 72.05 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.164 0.431 . . . . 11.43 112.164 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -64.94 -35.21 80.43 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.164 0.507 . . . . 8.91 110.862 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 49.4 mt -85.55 -44.39 17.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.885 -0.598 . . . . 6.35 112.163 -179.055 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.37 -43.21 64.55 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 112.368 0.507 . . . . 7.12 112.368 -178.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.83 -41.98 88.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.138 -0.483 . . . . 7.6 111.406 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 86.7 mt -73.86 -34.1 64.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.335 -0.393 . . . . 5.59 111.736 -179.355 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 84.1 mt -61.44 -53.66 45.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.954 0.407 . . . . 4.33 111.011 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 30.1 m -67.17 -34.19 67.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.384 -0.371 . . . . 6.96 111.362 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -66.71 -35.3 79.79 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.036 0.446 . . . . 7.34 109.93 179.143 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -60.48 -51.37 69.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.862 -0.608 . . . . 5.51 110.039 179.163 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -62.52 -38.8 91.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.046 -0.524 . . . . 6.35 110.458 179.636 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.1 m -62.06 -41.72 98.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.043 -0.526 . . . . 8.01 110.579 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.484 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 18.2 m -62.63 -36.48 82.93 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.083 -0.508 . . . . 8.27 110.842 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.557 HG23 ' HB3' ' A' ' 38' ' ' GLU . 69.6 mt -69.85 -47.55 69.1 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 CA-C-N 115.987 -0.551 . . . . 8.37 111.402 -179.765 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 34.6 m -69.74 -31.73 49.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 113.166 0.802 . . . . 9.63 113.166 -179.022 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -61.5 -40.65 95.36 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.867 0.321 . . . . 10.98 111.867 -179.676 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.484 ' HG2' ' O ' ' A' ' 32' ' ' SER . 32.7 pttt -96.85 6.13 49.25 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.595 -0.275 . . . . 11.09 111.303 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 39.5 tttm 54.2 47.38 23.27 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 115.905 -0.588 . . . . 11.72 111.125 -179.268 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.557 ' HB3' HG23 ' A' ' 33' ' ' ILE . 18.2 tt0 -82.79 -4.76 58.4 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.492 0.663 . . . . 9.58 109.73 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 17.8 tt -121.96 156.38 26.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.252 -0.885 . . . . 9.5 109.085 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.2 m -76.33 156.14 33.58 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 110.418 -0.216 . . . . 9.96 110.418 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -54.29 -32.49 56.52 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 116.65 -0.25 . . . . 11.9 111.645 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -63.43 -43.55 97.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.377 -0.374 . . . . 10.3 110.772 179.586 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.04 -39.74 53.07 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.97 -0.633 . . . . 8.47 111.58 179.322 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.96 -33.83 76.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.16 0.505 . . . . 8.42 110.105 179.304 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -58.77 -49.0 79.28 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.346 -0.843 . . . . 9.73 110.083 179.038 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.5 m -69.51 -27.77 65.47 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.838 -0.619 . . . . 7.86 111.162 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 45.5 mt -67.84 -28.99 68.03 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.23 0.456 . . . . 6.77 112.23 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -58.88 -40.26 83.85 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.982 0.42 . . . . 9.39 110.918 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.905 HG11 HD21 ' C' ' 66' ' ' LEU . 14.7 p -87.82 -31.83 5.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.302 -0.408 . . . . 9.6 110.852 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.04 -48.83 78.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 7.62 110.755 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 43.1 ttm -63.46 -37.05 85.8 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.133 0.492 . . . . 8.19 110.242 179.675 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -64.67 -43.5 93.37 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.557 -0.747 . . . . 11.12 110.42 179.614 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.523 ' HA ' ' HG2' ' A' ' 56' ' ' GLU . 12.7 m -68.61 -33.07 73.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.035 -0.53 . . . . 9.77 111.872 179.568 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 96.6 mt -67.13 -39.31 82.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 108.484 -0.932 . . . . 9.06 108.484 178.467 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.55 ' HA ' ' CE1' ' A' ' 60' ' ' PHE . 19.3 m -66.05 -44.0 85.89 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.295 -0.866 . . . . 10.96 111.347 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.523 ' HG2' ' HA ' ' A' ' 53' ' ' CYS . 12.0 pt-20 -67.65 -35.37 78.77 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-O 120.798 0.332 . . . . 12.89 111.595 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.57 -48.23 67.5 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.243 -0.435 . . . . 11.68 111.86 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -81.07 -6.57 58.96 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.8 0.333 . . . . 11.93 111.796 -179.503 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.13 52.95 24.8 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 121.238 -0.506 . . . . 13.13 113.289 179.181 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.55 ' CE1' ' HA ' ' A' ' 55' ' ' SER . 15.2 p90 -148.04 156.45 42.65 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 110.244 -0.28 . . . . 12.01 110.244 179.303 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 46.3 mp0 -96.64 147.11 24.22 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.751 0.31 . . . . 14.85 110.665 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 11.4 ttp180 -63.04 -31.39 72.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.297 0.57 . . . . 11.66 110.062 179.449 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -75.06 7.38 3.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.435 -0.802 . . . . 13.0 111.472 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.451 ' O ' HG13 ' A' ' 68' ' ' ILE . . . -118.2 0.46 11.75 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.578 0.214 . . . . 12.82 111.578 -179.769 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 14.3 p -60.39 -34.47 57.88 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 CA-C-O 120.968 0.413 . . . . 10.88 111.175 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -36.87 85.09 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.706 -0.679 . . . . 12.04 110.602 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -73.38 -42.87 40.18 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.942 -0.647 . . . . 12.77 111.923 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 64' ' ' ALA . 34.2 mt -60.28 -41.46 87.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.765 0.317 . . . . 11.54 110.797 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 95.0 mt -68.31 -30.97 70.07 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.886 0.374 . . . . 10.42 110.587 179.25 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -74.83 -32.02 57.51 Favored Glycine 0 N--CA 1.448 -0.554 0 CA-C-N 115.96 -0.564 . . . . 12.46 112.936 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -84.74 -29.27 25.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.89 0.376 . . . . 14.12 111.593 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.9 m -86.87 165.05 16.24 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.269 -0.423 . . . . 10.83 110.314 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -88.46 44.22 1.19 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.297 0.57 . . . . 10.68 110.648 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -132.26 19.81 4.42 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.645 -0.707 . . . . 8.37 110.331 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.9 ptmt -66.67 120.3 13.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.641 -0.709 . . . . 12.83 110.736 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 85.79 12.72 71.2 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.555 -0.831 . . . . 9.82 111.859 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -115.06 143.23 45.52 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.815 0.341 . . . . 8.93 110.811 179.509 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 22.8 m80 -116.39 151.1 36.65 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.248 -0.433 . . . . 8.72 109.946 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.469 HD11 HD11 ' B' ' 79' ' ' LEU . 16.3 tp -55.23 -38.7 68.8 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 123.21 0.319 . . . . 4.7 111.43 -179.625 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.8 -43.42 93.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.24 -0.437 . . . . 5.96 110.909 179.602 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -63.1 -43.8 97.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.001 -0.545 . . . . 7.82 111.096 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 71.4 mt -62.51 -48.69 87.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.694 -0.685 . . . . 5.79 110.762 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.466 HD21 HD12 ' B' ' 25' ' ' LEU . 8.6 mp -67.41 -28.22 67.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.85 0.357 . . . . 5.97 111.611 -179.579 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.545 ' O ' ' HA ' ' B' ' 14' ' ' MET . 60.1 t30 -71.93 -45.47 61.03 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.933 0.397 . . . . 9.2 110.082 179.103 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.5 m -69.61 -35.8 75.6 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.94 -0.573 . . . . 7.98 110.487 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.65 119.2 9.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.958 -0.564 . . . . 7.06 109.947 179.167 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.799 ' HA ' ' HB2' ' B' ' 14' ' ' MET . 2.9 m -108.86 114.99 29.23 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.188 -0.46 . . . . 9.21 110.702 -179.307 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -116.08 110.21 18.57 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.226 -0.443 . . . . 9.55 110.431 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 41.9 t -98.06 111.07 58.43 Favored Pre-proline 0 C--N 1.324 -0.539 0 N-CA-C 109.796 -0.446 . . . . 12.15 109.796 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.875 ' HB3' ' HD3' ' B' ' 75' ' ' LYS . 58.6 Cg_endo -72.94 76.68 2.47 Favored 'Trans proline' 0 N--CA 1.462 -0.336 0 C-N-CA 122.738 2.292 . . . . 12.82 112.537 -179.336 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -77.31 72.56 3.86 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.093 0.473 . . . . 14.19 110.251 179.103 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.474 -0.774 . . . . 15.67 110.334 -179.632 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' MET . . . . . 0.799 ' HB2' ' HA ' ' A' ' 87' ' ' SER . 48.4 ttp . . . . . 0 N--CA 1.485 1.308 0 N-CA-C 111.882 0.327 . . . . 11.23 111.882 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 55.4 ttm -90.42 70.85 7.0 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.512 0.56 . . . . 13.11 112.512 -178.211 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 7.9 m 50.92 89.94 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 112.866 0.691 . . . . 11.45 112.866 179.158 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.98 115.78 7.87 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.881 0.372 . . . . 8.27 110.949 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -77.72 164.05 25.61 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.035 -0.53 . . . . 9.28 110.644 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 5.6 mmpp? -57.13 -47.73 80.42 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.798 0.332 . . . . 8.44 111.141 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -60.85 -37.2 81.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.892 -0.595 . . . . 9.58 111.804 -179.621 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -71.33 -42.04 69.08 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.169 -0.469 . . . . 8.61 111.159 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 66.4 mt -68.44 -40.65 82.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.297 -0.411 . . . . 4.87 110.126 179.384 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.429 ' HA ' HD12 ' B' ' 26' ' ' ILE . . . -61.15 -34.37 74.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.943 -0.571 . . . . 4.42 110.621 179.5 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.65 -38.92 89.51 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.937 -0.574 . . . . 5.79 110.345 179.322 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.466 HD12 HD21 ' A' ' 83' ' ' LEU . 72.0 mt -73.45 -32.3 64.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.355 -0.384 . . . . 4.52 110.354 179.327 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.429 HD12 ' HA ' ' B' ' 23' ' ' ALA . 99.6 mt -65.03 -50.34 75.16 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 CA-C-N 115.895 -0.593 . . . . 4.37 109.694 178.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 29.0 m -68.83 -30.03 45.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.367 -0.378 . . . . 6.25 110.29 179.175 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -63.12 -41.3 99.3 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 109.187 -0.671 . . . . 6.91 109.187 178.026 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 30.2 t80 -63.18 -44.99 93.86 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.385 -0.825 . . . . 7.07 109.773 178.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' PHE . . . . . 0.447 ' O ' ' HB ' ' B' ' 33' ' ' ILE . 15.6 m-85 -62.37 -37.96 87.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.067 0.461 . . . . 8.36 110.247 178.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 23.2 m -65.85 -39.4 90.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.006 -0.543 . . . . 9.5 109.663 178.605 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' SER . . . . . 0.446 ' HA ' ' HG2' ' B' ' 35' ' ' GLU . 16.8 m -70.62 -7.68 46.06 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.766 -0.652 . . . . 9.77 110.471 179.344 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.851 HG23 ' HB3' ' B' ' 38' ' ' GLU . 52.6 mt -91.19 -50.02 13.0 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 CA-C-N 115.653 -0.703 . . . . 11.09 110.072 179.032 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 31.5 m -74.4 -23.11 18.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 113.014 0.746 . . . . 12.38 113.014 -178.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.446 ' HG2' ' HA ' ' B' ' 32' ' ' SER . 11.0 pt-20 -72.76 -24.92 61.02 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.608 0.596 . . . . 13.19 112.608 -179.515 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 10.4 pttm -129.27 23.45 5.57 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.317 0.488 . . . . 13.7 112.317 -179.35 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 16.8 ttmm 48.92 56.87 7.08 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.408 0.623 . . . . 15.86 112.091 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' GLU . . . . . 0.851 ' HB3' HG23 ' B' ' 33' ' ' ILE . 19.8 tp10 -74.6 -26.34 59.85 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.551 -0.749 . . . . 12.56 109.067 179.247 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 6.4 tp -126.08 163.08 28.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.036 -0.984 . . . . 13.67 108.835 179.52 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.8 164.5 23.48 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.657 0.265 . . . . 15.14 111.239 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.18 -34.39 72.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.78 0.324 . . . . 16.66 111.167 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.43 -43.78 98.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 15.52 110.945 178.837 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.36 -35.04 81.37 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.924 -0.655 . . . . 13.17 111.588 179.3 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.27 -30.34 70.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.944 0.402 . . . . 12.42 110.641 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -62.65 -49.33 75.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.904 -0.589 . . . . 13.38 109.887 179.477 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 1.4 m -70.06 -38.26 75.74 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.033 -0.531 . . . . 11.72 111.298 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 41.0 mt -61.36 -25.74 67.36 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.698 0.629 . . . . 9.64 112.698 -179.434 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -58.0 -59.36 5.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.577 -0.283 . . . . 11.12 111.428 -179.493 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 8.6 p -71.49 -30.19 38.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.632 -0.258 . . . . 10.04 111.072 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.81 -44.36 96.98 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.934 0.397 . . . . 8.26 110.563 179.32 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 46.2 ttm -63.06 -35.83 81.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.98 -0.555 . . . . 7.93 110.073 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -64.88 -48.39 74.41 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.851 -0.613 . . . . 9.48 109.983 179.42 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 77.9 m -57.63 -44.39 85.52 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.515 -0.766 . . . . 8.11 111.156 179.441 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 98.1 mt -62.51 -42.26 95.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.261 -0.427 . . . . 6.13 110.754 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' SER . . . . . 0.519 ' HA ' ' CE1' ' B' ' 60' ' ' PHE . 19.9 m -60.59 -51.26 70.16 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.009 -0.541 . . . . 7.39 111.794 -179.546 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -68.61 -28.83 67.26 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.343 0.498 . . . . 8.81 112.343 -179.519 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.2 -41.71 99.2 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.497 -0.319 . . . . 7.38 111.368 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 58' ' ' PHE . . . . . 0.419 ' HB2' ' HD1' ' B' ' 60' ' ' PHE . 91.5 m-85 -90.26 -6.63 54.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.235 0.541 . . . . 8.09 110.817 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 73.77 42.22 39.59 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.794 -0.639 . . . . 9.43 113.379 179.39 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 60' ' ' PHE . . . . . 0.519 ' CE1' ' HA ' ' B' ' 55' ' ' SER . 16.4 p90 -135.74 153.8 51.45 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.776 0.288 . . . . 8.7 110.391 179.276 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -88.27 135.72 33.31 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.983 0.421 . . . . 11.16 111.019 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 62' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' B' ' 62' ' ' ARG . 21.3 ttp180 -59.35 -37.78 78.72 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.813 -0.63 . . . . 10.74 111.116 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.82 0.64 12.58 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 112.234 0.457 . . . . 11.8 112.234 -179.443 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -112.56 17.56 19.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.853 0.358 . . . . 10.53 111.058 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 5.4 p -57.19 -44.86 84.29 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 N-CA-C 112.517 0.562 . . . . 9.11 112.517 -179.52 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 1.2 m -68.1 -25.19 65.19 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.596 0.221 . . . . 10.71 111.596 -179.41 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -65.24 -36.06 92.36 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.645 -0.788 . . . . 11.05 111.424 179.463 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 48.1 mt -74.89 -47.36 37.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 109.901 -0.407 . . . . 9.74 109.901 179.431 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 71.4 mt -61.45 -38.79 88.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.75 -0.659 . . . . 9.17 111.394 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -70.14 -25.85 75.06 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 121.009 -0.615 . . . . 11.56 112.729 -179.653 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 13.5 ttmt -84.37 -45.22 12.98 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.225 0.536 . . . . 12.46 110.084 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 18.5 m -77.33 -177.13 4.47 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.708 -0.678 . . . . 9.82 111.96 -179.496 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -82.36 -21.47 35.91 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.611 -0.722 . . . . 10.24 110.818 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -79.3 74.22 5.9 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.769 -0.65 . . . . 7.68 111.448 -179.343 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 75' ' ' LYS . . . . . 0.875 ' HD3' ' HB3' ' A' ' 90' ' ' PRO . 0.7 OUTLIER -124.81 133.9 52.95 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.269 -0.423 . . . . 11.56 110.287 179.265 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 72.32 21.29 79.41 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.693 -0.765 . . . . 8.65 111.633 -179.57 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 21.8 mm-40 -136.28 120.13 17.43 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.046 -0.724 . . . . 7.58 109.046 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 45.0 m80 -84.51 161.43 20.25 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.171 -0.677 . . . . 7.9 109.171 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.469 HD11 HD11 ' A' ' 79' ' ' LEU . 23.1 tp -59.94 -34.06 72.74 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.35 0.595 . . . . 4.14 110.211 179.451 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.67 -29.95 68.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.455 -0.793 . . . . 5.79 111.023 179.642 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -75.12 -49.23 20.26 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 116.13 -0.486 . . . . 6.75 110.352 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 82.0 mt -60.3 -45.28 96.58 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 CA-C-N 115.846 -0.615 . . . . 4.76 110.895 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 6.9 mp -67.8 -20.28 65.18 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.078 -0.51 . . . . 5.48 111.644 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -78.74 -43.0 26.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.916 0.388 . . . . 7.63 110.253 179.368 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.02 -31.71 70.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.79 -0.641 . . . . 6.84 110.842 179.555 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.12 97.13 0.17 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.02 -0.537 . . . . 6.55 110.372 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 87' ' ' SER . . . . . 0.602 ' HA ' ' HG2' ' A' ' 14' ' ' MET . 2.0 m -107.41 102.15 11.45 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.959 -0.564 . . . . 8.4 110.579 -179.466 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 28.2 mmm-85 -119.63 127.14 52.65 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.76 -0.655 . . . . 10.35 109.945 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 61.2 t -101.82 118.48 59.41 Favored Pre-proline 0 C--N 1.319 -0.732 0 CA-C-N 116.221 -0.445 . . . . 11.96 109.809 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_exo -63.82 114.91 2.79 Favored 'Trans proline' 0 C--O 1.236 0.394 0 C-N-CA 122.582 2.188 . . . . 13.1 111.21 179.311 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -78.12 57.36 1.8 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.962 0.411 . . . . 14.34 111.197 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 69.8 m . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.344 -0.836 . . . . 16.55 109.854 179.855 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 21.4 t . . . . . 0 N--CA 1.455 -0.202 0 CA-C-O 121.077 0.465 . . . . 9.95 109.973 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 21' ' ' HIS . . . . . . . . . . . . . 17.7 t60 -82.41 109.2 16.44 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.745 -0.662 . . . . 9.34 110.813 -179.421 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 22' ' ' LEU . . . . . . . . . . . . . 63.5 mt -107.64 144.62 34.43 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.415 -0.357 . . . . 6.88 111.105 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 23' ' ' THR . . . . . 0.512 ' HB ' ' HA ' ' C' ' 89' ' ' THR . 2.5 m -108.54 117.87 35.31 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.89 -0.595 . . . . 8.91 109.815 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 24' ' ' LEU . . . . . 0.481 HD13 HD21 ' C' ' 51' ' ' LEU . 60.7 mt -101.68 118.21 36.47 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.592 0.234 . . . . 8.66 110.7 -179.685 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 17.9 tptm -130.65 124.21 31.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.92 0.391 . . . . 13.38 111.565 -179.355 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 26' ' ' LYS . . . . . 0.65 ' HD3' ' CE2' ' C' ' 32' ' ' PHE . 16.7 tttp -101.21 116.7 33.42 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.957 -0.757 . . . . 14.09 108.957 178.758 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 27' ' ' ILE . . . . . . . . . . . . . 44.3 pt -82.08 -8.36 11.29 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 N-CA-C 113.106 0.78 . . . . 14.88 113.106 -178.614 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 28' ' ' GLN . . . . . 0.671 HE22 ' HA ' ' C' ' 93' ' ' MET . 0.9 OUTLIER -107.9 153.0 23.67 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.349 -0.611 . . . . 15.23 109.349 179.139 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.88 132.92 92.05 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-O 120.865 0.364 . . . . 18.5 111.934 -179.433 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 30' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -83.84 131.39 17.11 Favored 'Cis proline' 0 CA--C 1.531 0.345 0 C-N-CA 123.084 -1.632 . . . . 17.48 111.406 -1.113 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 51.8 mttt -75.69 110.38 10.06 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.056 0.455 . . . . 17.53 111.082 -179.619 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 32' ' ' PHE . . . . . 0.65 ' CE2' ' HD3' ' C' ' 26' ' ' LYS . 40.1 p90 -124.47 163.37 21.98 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.04 -0.527 . . . . 13.5 110.673 179.238 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 33' ' ' SER . . . . . . . . . . . . . 15.6 m -148.1 119.4 7.83 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.395 -0.366 . . . . 12.36 110.38 179.376 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 9.4 pt -137.45 158.51 34.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.266 -0.425 . . . . 10.72 110.692 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 35' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -129.48 147.32 51.28 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.299 -0.409 . . . . 10.54 110.07 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 36' ' ' HIS . . . . . . . . . . . . . 76.4 t60 -158.1 150.71 22.42 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.304 -0.407 . . . . 9.85 110.757 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -94.48 124.96 38.83 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.078 -0.51 . . . . 9.77 109.998 179.247 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 38' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -113.64 -179.29 3.6 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 116.264 -0.425 . . . . 9.82 110.346 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.46 152.91 44.27 Favored Pre-proline 0 C--N 1.326 -0.43 0 N-CA-C 109.355 -0.609 . . . . 11.97 109.355 179.32 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -63.35 -17.21 58.99 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.402 2.068 . . . . 12.89 112.186 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.4 -14.56 45.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.96 -0.564 . . . . 14.42 110.446 179.268 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -79.08 130.72 35.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.975 -0.557 . . . . 11.77 109.635 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 18.7 p -92.4 178.45 5.83 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.434 -0.348 . . . . 11.4 110.283 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 44' ' ' ILE . . . . . 0.724 ' HB ' ' HA ' ' C' ' 74' ' ' ASP . 48.2 mm -60.5 -28.27 42.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.279 0.561 . . . . 7.86 110.004 179.486 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 43.9 tp -62.69 -37.48 86.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.516 -0.766 . . . . 12.88 110.524 179.347 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 46' ' ' GLN . . . . . 0.503 ' HA ' ' OE1' ' C' ' 49' ' ' GLN . 1.5 mp0 -63.13 -37.56 87.69 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.292 -0.413 . . . . 12.18 110.998 -179.762 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 55.2 mt -63.19 -42.19 95.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 109.46 -0.57 . . . . 8.04 109.46 179.152 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -64.95 -44.45 89.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.47 -0.786 . . . . 10.51 110.419 179.427 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 49' ' ' GLN . . . . . 0.503 ' OE1' ' HA ' ' C' ' 46' ' ' GLN . 85.6 mt-30 -59.52 -36.15 75.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.937 -0.574 . . . . 13.94 110.533 179.67 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 50' ' ' HIS . . . . . 0.451 ' O ' ' HG2' ' C' ' 54' ' ' GLU . 1.8 t60 -69.2 -38.24 78.52 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.731 -0.668 . . . . 11.16 111.225 -179.69 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 51' ' ' LEU . . . . . 0.481 HD21 HD13 ' C' ' 24' ' ' LEU . 65.9 mt -62.45 -32.34 73.19 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.279 -0.419 . . . . 12.37 111.757 -179.737 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 52' ' ' ILE . . . . . . . . . . . . . 60.7 mt -65.69 -42.43 92.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 120.948 0.404 . . . . 15.35 110.488 179.273 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.89 -16.18 62.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.062 -0.517 . . . . 15.02 111.167 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 54' ' ' GLU . . . . . 0.451 ' HG2' ' O ' ' C' ' 50' ' ' HIS . 72.3 mm-40 -95.02 10.06 37.11 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.061 -0.518 . . . . 14.38 110.126 179.28 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 56.17 43.63 26.42 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.634 -0.712 . . . . 18.85 111.349 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 33.4 mmtm -107.44 -28.23 9.95 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.184 -0.462 . . . . 14.47 111.667 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 57' ' ' ALA . . . . . 0.464 ' HB2' HD13 ' C' ' 94' ' ' ILE . . . -141.4 166.95 23.34 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.226 -0.443 . . . . 15.28 110.247 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 58' ' ' SER . . . . . . . . . . . . . 2.5 t -103.64 -39.78 6.57 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.4 -0.364 . . . . 17.75 110.544 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 59' ' ' HIS . . . . . . . . . . . . . 86.5 m-70 -132.58 163.93 27.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.911 0.386 . . . . 19.22 111.957 -179.57 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 39.4 mm -69.23 -36.88 74.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.644 -0.707 . . . . 13.8 111.477 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 1.7 m -65.28 -23.49 67.05 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 113.053 0.761 . . . . 14.67 113.053 -178.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -77.76 -22.27 50.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.299 0.571 . . . . 16.71 111.188 -179.367 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 63' ' ' ILE . . . . . . . . . . . . . 33.4 mt -87.23 99.36 8.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 112.866 0.691 . . . . 10.79 112.866 -178.221 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 64' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -103.79 108.09 19.25 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.749 -0.834 . . . . 9.73 108.749 178.356 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 65' ' ' LEU . . . . . 0.583 HD12 HG23 ' C' ' 44' ' ' ILE . 76.1 mt -93.17 142.7 27.01 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.675 0.274 . . . . 5.89 111.626 -179.016 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 66' ' ' LEU . . . . . 0.905 HD21 HG11 ' A' ' 49' ' ' VAL . 1.7 mp -133.93 166.03 23.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.142 -0.481 . . . . 7.57 110.819 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 22.5 tp -140.68 66.35 1.38 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.798 -0.637 . . . . 7.44 109.351 179.113 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.29 87.4 0.1 Allowed 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.489 -0.778 . . . . 12.88 112.032 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 84.56 -58.18 5.0 Favored Glycine 0 CA--C 1.519 0.302 0 C-N-CA 120.629 -0.796 . . . . 8.93 113.109 179.526 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 70' ' ' LYS . . . . . 0.708 ' HE3' ' HA ' ' C' ' 70' ' ' LYS . 0.1 OUTLIER -80.52 142.24 34.36 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.822 0.344 . . . . 9.44 111.467 -179.523 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 71' ' ' VAL . . . . . 0.66 ' HA ' ' HG ' ' C' ' 66' ' ' LEU . 40.1 t -90.7 143.57 10.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.057 -0.52 . . . . 7.05 110.175 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 86.7 mt -94.51 125.45 39.16 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.956 0.407 . . . . 5.9 110.434 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 73' ' ' HIS . . . . . . . . . . . . . 21.7 m-70 -94.57 147.45 23.27 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.151 -0.477 . . . . 8.93 111.058 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 74' ' ' ASP . . . . . 0.724 ' HA ' ' HB ' ' C' ' 44' ' ' ILE . 3.3 m-20 -52.13 -44.62 64.6 Favored 'General case' 0 C--O 1.236 0.366 0 O-C-N 123.721 0.638 . . . . 9.91 112.597 -179.094 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 75' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -78.22 67.89 4.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.118 0.485 . . . . 13.36 111.619 -179.393 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 76' ' ' LEU . . . . . . . . . . . . . 21.4 tp -155.56 148.57 24.48 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.839 -0.619 . . . . 9.58 109.493 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -103.61 156.06 18.07 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.733 0.301 . . . . 14.32 110.566 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 39.6 mt -62.96 -28.16 69.89 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.122 -0.49 . . . . 9.53 112.299 -179.346 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 79' ' ' SER . . . . . . . . . . . . . 12.3 m -67.99 -20.69 65.05 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.946 0.403 . . . . 12.75 111.797 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 80' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -87.31 -8.05 57.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.127 0.489 . . . . 12.44 110.862 -179.262 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 82.4 mt -81.06 128.88 34.21 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.05 -0.523 . . . . 10.15 109.919 179.443 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 82' ' ' LYS . . . . . . . . . . . . . 42.7 mmtm -81.45 45.26 0.85 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.335 0.588 . . . . 12.59 110.538 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 2.6 m -67.83 118.71 12.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.603 -0.726 . . . . 11.5 110.834 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 84' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -118.82 162.28 31.88 Favored Pre-proline 0 C--N 1.319 -0.758 0 CA-C-N 115.656 -0.702 . . . . 13.96 109.956 -179.455 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 85' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_exo -54.86 -27.14 51.75 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.987 2.458 . . . . 14.91 112.965 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -77.33 -23.72 50.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.702 0.287 . . . . 15.11 111.546 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 87' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -148.05 90.48 1.83 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.25 0.548 . . . . 12.35 111.758 -179.619 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 88' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -114.78 23.97 12.19 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.489 0.661 . . . . 10.32 109.854 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 89' ' ' THR . . . . . 0.512 ' HA ' ' HB ' ' C' ' 23' ' ' THR . 0.2 OUTLIER -104.84 132.64 50.84 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.458 -0.792 . . . . 9.82 110.962 -179.276 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 90' ' ' ILE . . . . . . . . . . . . . 42.2 mm -99.93 128.03 52.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 109.07 -0.715 . . . . 6.59 109.07 179.325 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 91' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.72 106.17 9.37 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.943 0.401 . . . . 8.75 110.628 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 92' ' ' VAL . . . . . 0.516 HG12 HG13 ' C' ' 94' ' ' ILE . 48.8 t -92.63 110.33 22.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 121.102 0.477 . . . . 9.58 110.601 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 93' ' ' MET . . . . . 0.671 ' HA ' HE22 ' C' ' 28' ' ' GLN . 50.7 mmm -109.54 68.2 0.67 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.301 -0.409 . . . . 10.9 110.772 -179.608 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 94' ' ' ILE . . . . . 0.516 ' HB ' ' HD2' ' C' ' 26' ' ' LYS . 81.9 mt -73.53 104.93 2.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 109.755 -0.461 . . . . 13.44 109.755 179.261 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 95' ' ' LYS . . . . . . . . . . . . . 12.2 mmtp -142.51 128.18 10.46 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 115.494 -0.775 . . . . 14.6 109.431 -179.026 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 96' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -81.06 -167.22 0.48 Allowed 'Trans proline' 0 N--CA 1.461 -0.428 0 C-N-CA 122.468 2.112 . . . . 17.56 111.237 179.509 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 56.8 t30 66.82 -104.99 0.0 OUTLIER Pre-proline 0 C--O 1.249 1.036 0 CA-C-O 118.108 -0.948 . . . . 18.17 111.774 179.536 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 98' ' ' PRO . . . . . . . . . . . . . . . . . . . . 1 C--N 1.248 -4.717 0 O-C-N 122.689 0.836 . . . . 15.75 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.563 ' HB2' ' HA ' ' B' ' 87' ' ' SER . 1.2 tmt? . . . . . 0 N--CA 1.481 1.124 0 N-CA-C 111.506 0.187 . . . . 10.47 111.506 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 22.8 mmt -65.6 -77.34 0.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.69 -0.232 . . . . 11.61 111.568 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.8 m -150.93 -33.72 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.627 -0.261 . . . . 10.77 111.673 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 60.44 59.74 2.17 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.666 0.746 . . . . 8.07 110.257 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 m -74.88 174.2 9.57 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.796 -1.093 . . . . 10.11 110.683 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.47 ' HB3' ' CE1' ' A' ' 58' ' ' PHE . 4.7 mttm -54.74 -43.82 73.02 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.041 -0.527 . . . . 10.66 112.025 -179.073 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -68.54 -39.05 81.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.614 -0.267 . . . . 11.43 111.617 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -61.16 -45.2 95.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.206 0.527 . . . . 8.91 109.912 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 71.5 mt -70.19 -45.6 75.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.547 -0.751 . . . . 6.35 111.195 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.46 -41.54 73.05 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.446 -0.343 . . . . 7.12 111.873 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.87 -41.01 95.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 7.6 110.934 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.1 mt -69.94 -32.97 71.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.169 -0.469 . . . . 5.59 111.155 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 93.7 mt -68.39 -51.36 48.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.063 -0.517 . . . . 4.33 110.977 179.699 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 31.5 m -64.76 -37.77 81.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.448 -0.342 . . . . 6.96 111.751 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -62.7 -36.99 84.73 Favored 'General case' 0 C--N 1.334 -0.091 0 CA-C-O 121.016 0.436 . . . . 7.34 110.324 179.543 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.401 ' O ' HG13 ' A' ' 33' ' ' ILE . 42.3 t80 -61.87 -43.8 98.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.054 -0.521 . . . . 5.51 110.101 179.312 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -63.96 -41.11 97.67 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.078 -0.51 . . . . 6.35 110.092 179.431 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.9 m -59.17 -45.8 90.05 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.929 -0.578 . . . . 8.01 110.373 179.037 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.629 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 24.1 m -58.03 -45.23 87.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.464 -0.335 . . . . 8.27 110.962 179.523 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 29' ' ' TYR . 70.6 mt -61.12 -48.15 90.32 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 CA-C-N 116.323 -0.399 . . . . 8.37 111.763 -179.513 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 31.5 m -72.02 -27.61 27.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 112.771 0.656 . . . . 9.63 112.771 -179.015 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -76.11 -41.02 51.57 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.753 0.311 . . . . 10.98 111.696 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.629 ' HG2' ' O ' ' A' ' 32' ' ' SER . 26.5 pttt -87.85 6.42 35.5 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.792 0.33 . . . . 11.09 110.6 179.375 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.2 mtpt 49.98 58.28 5.63 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.353 -0.839 . . . . 11.72 112.823 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -104.52 18.73 21.65 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.438 0.637 . . . . 9.58 109.671 179.228 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 11.2 tp -148.06 149.65 15.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.353 -0.839 . . . . 9.5 109.632 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.44 151.69 43.78 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.357 -0.383 . . . . 9.96 110.686 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -58.26 -27.27 63.85 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 112.225 0.454 . . . . 11.9 112.225 -179.658 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -63.91 -21.87 66.66 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.506 -0.315 . . . . 10.3 111.236 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -111.11 -8.38 23.79 Favored Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.858 -0.687 . . . . 8.47 111.387 179.172 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.76 -49.82 69.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.53 0.205 . . . . 8.42 111.299 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -66.93 -31.89 72.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.857 0.361 . . . . 9.73 110.064 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.1 m -65.31 -46.23 81.14 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.963 -0.562 . . . . 7.86 109.951 179.021 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 58.4 mt -68.49 -35.25 77.26 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.691 -0.485 . . . . 6.77 109.691 179.058 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -63.4 -48.41 77.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.594 -0.73 . . . . 9.39 111.054 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.458 HG11 HD21 ' C' ' 66' ' ' LEU . 13.7 p -68.52 -38.58 79.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.497 -0.32 . . . . 9.6 110.855 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.6 -45.63 92.01 Favored 'General case' 0 N--CA 1.457 -0.121 0 N-CA-C 109.924 -0.398 . . . . 7.62 109.924 178.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 30.1 ttm -58.36 -41.42 84.66 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.827 -0.624 . . . . 8.19 109.998 179.322 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -65.43 -45.09 85.23 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.736 -0.666 . . . . 11.12 110.6 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 90.3 m -63.91 -38.79 92.39 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.074 -0.512 . . . . 9.77 111.093 179.196 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 94.2 mt -62.07 -41.39 90.98 Favored 'Isoleucine or valine' 0 C--O 1.232 0.156 0 N-CA-C 109.651 -0.499 . . . . 9.06 109.651 178.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.559 ' HA ' ' CE1' ' A' ' 60' ' ' PHE . 19.4 m -58.71 -55.9 29.12 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.498 -0.773 . . . . 10.96 111.563 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -63.61 -29.72 70.93 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.355 0.502 . . . . 12.89 112.355 -179.025 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.31 -42.66 92.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.826 0.346 . . . . 11.68 111.227 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.47 ' CE1' ' HB3' ' A' ' 19' ' ' LYS . 79.5 m-85 -84.21 -10.54 57.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.314 -0.403 . . . . 11.93 111.53 179.76 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 86.87 21.29 50.94 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 121.016 -0.611 . . . . 13.13 113.7 178.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.559 ' CE1' ' HA ' ' A' ' 55' ' ' SER . 18.9 p90 -122.11 159.14 27.75 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 117.06 0.43 . . . . 12.01 110.693 179.746 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -92.41 141.28 28.7 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.547 -0.297 . . . . 14.85 110.295 179.533 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 62' ' ' ARG . 14.4 ttp180 -55.63 -40.93 72.83 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.065 -0.516 . . . . 11.66 111.314 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -76.39 0.92 17.84 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.449 0.537 . . . . 13.0 112.449 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -100.07 2.03 42.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.732 0.301 . . . . 12.82 110.916 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 9.0 p -58.91 -35.62 57.38 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-O 121.071 0.463 . . . . 10.88 111.077 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.17 -40.57 96.4 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.731 -0.668 . . . . 12.04 110.738 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.56 -41.33 65.94 Favored Glycine 0 N--CA 1.449 -0.483 0 CA-C-N 115.793 -0.639 . . . . 12.77 111.82 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 90.7 mt -63.0 -51.54 70.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 120.68 0.276 . . . . 11.54 110.728 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 52.8 mt -62.38 -30.73 71.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.417 -0.356 . . . . 10.42 111.49 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -67.38 -27.64 73.55 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 121.052 -0.594 . . . . 12.46 113.0 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.413 ' HE2' ' HB3' ' A' ' 71' ' ' LYS . 7.1 ptpt -106.02 5.62 30.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 117.006 0.403 . . . . 14.12 111.491 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 67.3 m -100.21 168.12 10.01 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.003 -0.544 . . . . 10.83 111.81 -179.641 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -69.71 -39.79 76.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.296 -0.865 . . . . 10.68 110.777 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -78.96 41.05 0.42 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.612 -0.722 . . . . 8.37 112.047 -178.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.779 ' HD3' ' HB3' ' B' ' 90' ' ' PRO . 21.4 ptmt -72.23 132.31 43.92 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.363 -0.38 . . . . 12.83 110.104 179.375 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 71.41 26.9 72.41 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.921 -0.657 . . . . 9.82 112.602 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -130.16 154.73 47.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.913 0.387 . . . . 8.93 110.731 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 46.4 m80 -115.57 159.47 21.23 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.048 -0.723 . . . . 8.72 109.048 178.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 19.3 tp -59.28 -39.97 84.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.808 0.337 . . . . 4.7 111.265 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.46 -40.88 96.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 5.96 111.037 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -59.36 -48.07 83.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.08 0.467 . . . . 7.82 110.607 -179.704 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 70.2 mt -62.15 -48.53 88.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.632 -0.713 . . . . 5.79 111.383 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.578 HD22 HG12 ' B' ' 22' ' ' ILE . 8.3 mp -64.68 -28.71 69.79 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.085 0.402 . . . . 5.97 112.085 -179.441 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -78.17 -20.11 52.62 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.072 0.463 . . . . 9.2 110.532 179.39 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 9.8 m -94.27 -31.55 14.03 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.09 -0.505 . . . . 7.98 110.629 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.72 103.64 1.14 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.309 0.576 . . . . 7.06 110.961 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 15.3 m -87.05 118.92 26.75 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.733 -0.667 . . . . 9.21 110.181 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.519 ' HD3' ' OE1' ' B' ' 77' ' ' GLN . 1.9 mmp_? -131.52 99.23 4.74 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.281 -0.418 . . . . 9.55 110.623 -179.147 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 38.3 t -99.15 115.92 65.46 Favored Pre-proline 0 C--N 1.327 -0.373 0 N-CA-C 109.838 -0.43 . . . . 12.15 109.838 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_endo -78.14 80.22 3.05 Favored 'Trans proline' 0 C--O 1.235 0.36 0 C-N-CA 122.824 2.35 . . . . 12.82 112.714 -179.421 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -72.84 101.82 3.24 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.833 -0.621 . . . . 14.19 110.799 179.54 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 14.1 m . . . . . 0 C--O 1.25 1.095 0 CA-C-N 115.666 -0.697 . . . . 15.67 110.357 179.848 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 59.2 ttp . . . . . 0 N--CA 1.483 1.182 0 CA-C-O 120.578 0.227 . . . . 11.23 111.428 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 13.2 mmt -80.78 70.35 7.53 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 110.288 -0.264 . . . . 13.11 110.288 -179.621 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 27.2 m 64.76 99.81 0.04 OUTLIER 'General case' 0 CA--C 1.523 -0.092 0 O-C-N 123.801 0.688 . . . . 11.45 109.965 -178.544 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.459 ' HB1' HD11 ' B' ' 22' ' ' ILE . . . -42.98 97.3 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.302 0 O-C-N 123.696 0.623 . . . . 8.27 112.417 -178.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 8.6 m -101.12 173.55 6.41 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.638 -0.71 . . . . 9.28 110.133 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -56.25 -46.17 79.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.428 -0.351 . . . . 8.44 110.917 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -61.48 -50.56 72.26 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.292 0.478 . . . . 9.58 112.292 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.728 ' HG2' ' HB3' ' B' ' 72' ' ' SER . 11.7 mt-10 -57.27 -36.29 70.82 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 112.058 0.392 . . . . 8.61 112.058 -179.32 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.578 HG12 HD22 ' A' ' 83' ' ' LEU . 54.1 mt -85.53 -49.81 15.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 112.571 0.582 . . . . 4.87 112.571 -178.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.23 -38.25 73.5 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.182 0.438 . . . . 4.42 112.182 -178.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.75 -44.14 85.91 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 123.238 0.336 . . . . 5.79 110.946 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.554 HD12 HD21 ' A' ' 83' ' ' LEU . 91.6 mt -72.19 -35.16 68.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.233 -0.439 . . . . 4.52 111.274 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 90.3 mt -60.79 -54.17 39.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.438 . . . . 4.37 110.649 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 30.9 m -68.88 -32.73 55.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.358 -0.383 . . . . 6.25 111.055 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -62.13 -43.55 98.58 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 116.271 -0.422 . . . . 6.91 110.148 179.231 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' TYR . . . . . 0.452 ' O ' HG13 ' B' ' 33' ' ' ILE . 49.0 t80 -59.03 -50.08 75.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.745 -0.662 . . . . 7.07 110.477 179.764 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -62.68 -41.15 98.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 8.36 111.179 -179.66 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 35.1 m -63.74 -35.59 81.09 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.234 -0.439 . . . . 9.5 110.734 179.537 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' SER . . . . . 0.537 ' HA ' ' HG2' ' B' ' 35' ' ' GLU . 14.9 m -75.33 -14.81 60.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.221 0.534 . . . . 9.77 110.964 179.713 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.822 HG23 ' HB3' ' B' ' 38' ' ' GLU . 79.2 mt -82.91 -45.77 19.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.055 -0.521 . . . . 11.09 110.114 179.254 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 18.9 m -73.12 -36.08 49.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 113.022 0.749 . . . . 12.38 113.022 -179.149 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.537 ' HG2' ' HA ' ' B' ' 32' ' ' SER . 8.6 pt-20 -58.58 -36.13 73.5 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 112.656 0.613 . . . . 13.19 112.656 -178.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 25.8 pttm -106.95 13.14 27.98 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.766 0.284 . . . . 13.7 111.766 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 20.2 ttmm 50.77 64.12 1.95 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.555 0.693 . . . . 15.86 112.043 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' GLU . . . . . 0.822 ' HB3' HG23 ' B' ' 33' ' ' ILE . 85.2 tt0 -90.14 -23.75 21.26 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.709 -0.678 . . . . 12.56 110.129 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 15.1 tt -110.46 167.84 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.583 -0.735 . . . . 13.67 110.317 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -77.1 166.96 22.58 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.935 0.398 . . . . 15.14 111.413 -179.732 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -61.25 -27.62 68.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.882 -0.599 . . . . 16.66 112.501 -179.316 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.38 -59.18 2.86 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.395 -0.366 . . . . 15.52 110.956 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.27 -27.45 60.4 Favored Glycine 0 CA--C 1.518 0.269 0 CA-C-N 116.056 -0.52 . . . . 13.17 112.822 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.85 -36.46 83.33 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.978 0.418 . . . . 12.42 110.267 179.297 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.25 -40.8 77.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.826 -0.624 . . . . 13.38 109.863 179.621 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 46' ' ' SER . . . . . 0.479 ' HA ' HD12 ' C' ' 27' ' ' ILE . 0.8 OUTLIER -63.45 -47.38 82.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.693 -0.685 . . . . 11.72 110.253 179.612 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 33.1 mt -67.24 -29.29 68.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 9.64 111.14 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -55.72 -55.0 37.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.824 -0.625 . . . . 11.12 110.672 179.615 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 10.9 p -76.13 -30.48 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 10.04 111.437 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.37 -41.2 84.24 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.918 0.39 . . . . 8.26 110.441 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 61.7 mtm -62.78 -40.37 97.1 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.94 -0.573 . . . . 7.93 110.503 179.332 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.52 -42.65 91.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.913 -0.585 . . . . 9.48 110.412 179.612 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 92.9 m -59.95 -45.36 92.89 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.048 -0.524 . . . . 8.11 111.151 179.541 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 82.5 mt -63.05 -43.16 98.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.431 -0.35 . . . . 6.13 110.314 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 55' ' ' SER . . . . . 0.525 ' HA ' ' CE1' ' B' ' 60' ' ' PHE . 17.5 m -60.85 -52.8 63.52 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.004 -0.544 . . . . 7.39 111.999 -179.605 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.84 -31.66 72.42 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 112.422 0.527 . . . . 8.81 112.422 -179.06 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.12 -41.93 73.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.717 0.294 . . . . 7.38 110.93 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -76.25 -35.48 58.95 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.251 -0.431 . . . . 8.09 111.405 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 111.21 25.92 4.83 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.556 -0.83 . . . . 9.43 113.561 179.19 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 60' ' ' PHE . . . . . 0.525 ' CE1' ' HA ' ' B' ' 55' ' ' SER . 23.1 p90 -131.9 178.59 6.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 122.716 -0.285 . . . . 8.7 110.692 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 61' ' ' GLU . . . . . 0.474 ' HG3' ' H ' ' B' ' 63' ' ' GLU . 8.1 tp10 -122.66 150.41 42.72 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 110.088 -0.338 . . . . 11.16 110.088 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 24.5 ttp180 -63.65 -25.49 68.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.062 -0.517 . . . . 10.74 111.229 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 63' ' ' GLU . . . . . 0.474 ' H ' ' HG3' ' B' ' 61' ' ' GLU . 9.5 tp10 -79.79 -6.19 56.83 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.027 -0.533 . . . . 11.8 111.11 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -105.81 10.31 32.64 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.76 0.314 . . . . 10.53 111.351 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 12.7 p -61.66 -32.79 54.78 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 CA-C-O 120.789 0.328 . . . . 9.11 111.726 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.46 -35.13 75.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.007 0.432 . . . . 10.71 111.015 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -72.2 -29.85 65.92 Favored Glycine 0 N--CA 1.451 -0.341 0 CA-C-N 115.91 -0.586 . . . . 11.05 111.873 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 58.2 mt -79.36 -52.25 15.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 120.51 0.195 . . . . 9.74 110.721 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 32.0 mt -57.51 -40.53 78.91 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 112.215 0.45 . . . . 9.17 112.215 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -72.93 -22.02 79.41 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.67 -0.776 . . . . 11.56 112.5 -179.685 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 2.8 ttmp? -87.29 -59.01 2.37 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.852 0.358 . . . . 12.46 110.627 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 72' ' ' SER . . . . . 0.728 ' HB3' ' HG2' ' B' ' 21' ' ' GLU . 14.4 m -62.09 165.37 5.73 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.73 -0.668 . . . . 9.82 111.282 -179.403 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -83.69 54.17 2.78 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.48 0.548 . . . . 10.24 112.48 -178.425 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.515 ' HE2' ' HB3' ' B' ' 21' ' ' GLU . 45.4 m-85 -145.12 22.84 1.54 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.744 -0.662 . . . . 7.68 109.812 178.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 75' ' ' LYS . . . . . 0.579 ' H ' ' HD2' ' B' ' 75' ' ' LYS . 0.0 OUTLIER -66.38 127.81 33.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.355 -0.839 . . . . 11.56 111.747 -179.381 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 74.71 16.69 80.15 Favored Glycine 0 N--CA 1.451 -0.337 0 CA-C-N 115.676 -0.693 . . . . 8.65 113.081 179.443 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 77' ' ' GLN . . . . . 0.519 ' OE1' ' HD3' ' A' ' 88' ' ' ARG . 14.0 mm-40 -120.84 160.38 23.53 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 122.694 -0.298 . . . . 7.58 110.478 -179.371 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 78' ' ' HIS . . . . . 0.681 ' HB2' ' OD1' ' B' ' 81' ' ' ASP . 44.8 m-70 -126.48 149.25 49.45 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.784 -0.45 . . . . 7.9 109.784 179.199 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 20.1 tp -56.55 -33.45 66.14 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.242 -0.435 . . . . 4.14 112.059 -179.373 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.73 -56.5 17.0 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.07 0.396 . . . . 5.79 112.07 -179.467 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 81' ' ' ASP . . . . . 0.681 ' OD1' ' HB2' ' B' ' 78' ' ' HIS . 0.3 OUTLIER -67.3 -41.87 84.69 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.718 0.636 . . . . 6.75 112.718 -179.277 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 93.9 mt -56.22 -46.91 81.5 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 CA-C-O 120.897 0.38 . . . . 4.76 111.502 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 5.1 mp -67.17 -34.41 77.48 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.142 -0.481 . . . . 5.48 111.308 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -70.64 -37.81 73.8 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.271 -0.422 . . . . 7.63 111.861 -179.53 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.4 p -66.18 -22.23 66.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.946 0.403 . . . . 6.84 111.525 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -75.88 128.82 35.92 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 109.445 -0.576 . . . . 6.55 109.445 179.219 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 87' ' ' SER . . . . . 0.563 ' HA ' ' HB2' ' A' ' 14' ' ' MET . 3.4 m -101.95 101.45 11.86 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.006 0.431 . . . . 8.4 110.508 -179.65 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 9.8 mmm180 -96.24 119.13 34.17 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.084 0.468 . . . . 10.35 111.271 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 89' ' ' VAL . . . . . 0.426 ' HA ' ' HD3' ' B' ' 90' ' ' PRO . 3.2 t -94.52 120.95 64.36 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 115.737 -0.665 . . . . 11.96 109.612 179.8 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 90' ' ' PRO . . . . . 0.779 ' HB3' ' HD3' ' A' ' 75' ' ' LYS . 7.0 Cg_exo -75.36 101.41 1.47 Allowed 'Trans proline' 0 N--CA 1.46 -0.484 0 C-N-CA 122.747 2.298 . . . . 13.1 111.791 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -76.18 75.84 3.01 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.073 0.463 . . . . 14.34 110.368 179.125 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 C--O 1.245 0.82 0 CA-C-O 118.488 -0.767 . . . . 16.55 110.45 -179.118 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 45.1 t . . . . . 0 CA--C 1.528 0.127 0 CA-C-O 121.358 0.599 . . . . 9.95 110.1 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 21' ' ' HIS . . . . . . . . . . . . . 17.7 t60 -78.03 111.57 14.05 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.574 -0.739 . . . . 9.34 110.543 -179.536 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 22' ' ' LEU . . . . . . . . . . . . . 95.8 mt -118.69 143.88 46.56 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.465 -0.334 . . . . 6.88 111.228 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 23' ' ' THR . . . . . 0.408 ' HA ' ' HG2' ' C' ' 35' ' ' GLU . 5.4 m -102.59 120.05 39.87 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.696 -0.684 . . . . 8.91 109.507 179.039 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 24' ' ' LEU . . . . . . . . . . . . . 35.7 mt -103.45 115.01 29.74 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 110.089 -0.337 . . . . 8.66 110.089 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 63.4 tttt -124.17 128.09 48.72 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.715 0.293 . . . . 13.38 111.024 -179.428 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 26' ' ' LYS . . . . . 0.629 ' HE3' ' CE2' ' C' ' 32' ' ' PHE . 5.4 ttpp -90.5 128.1 36.43 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.262 -0.426 . . . . 14.09 110.142 178.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 27' ' ' ILE . . . . . 0.479 HD12 ' HA ' ' B' ' 46' ' ' SER . 40.4 pt -80.71 -23.66 11.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 112.923 0.712 . . . . 14.88 112.923 -178.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 28' ' ' GLN . . . . . 0.569 ' O ' ' HG2' ' C' ' 26' ' ' LYS . 28.7 tt0 -104.56 143.12 33.49 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.653 0.263 . . . . 15.23 110.886 -179.605 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 29' ' ' ALA . . . . . 0.481 ' HA ' ' C ' ' C' ' 30' ' ' PRO . . . -64.38 140.63 98.01 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 116.132 -0.485 . . . . 18.5 110.871 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 30' ' ' PRO . . . . . 0.481 ' C ' ' HA ' ' C' ' 29' ' ' ALA . 52.1 Cg_endo -70.2 133.81 27.83 Favored 'Cis proline' 0 C--N 1.345 0.347 0 C-N-CA 123.173 -1.595 . . . . 17.48 112.1 -0.432 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 34.0 mtmt -91.13 137.9 32.01 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.326 -0.397 . . . . 17.53 110.613 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 32' ' ' PHE . . . . . 0.629 ' CE2' ' HE3' ' C' ' 26' ' ' LYS . 24.0 p90 -155.05 159.45 40.29 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.036 -0.529 . . . . 13.5 110.21 179.608 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 33' ' ' SER . . . . . . . . . . . . . 6.8 m -134.62 101.79 5.07 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.173 -0.467 . . . . 12.36 109.972 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 36.1 pt -110.95 156.67 12.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.455 -0.339 . . . . 10.72 110.477 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 35' ' ' GLU . . . . . 0.408 ' HG2' ' HA ' ' C' ' 23' ' ' THR . 45.7 mt-10 -130.59 149.85 52.06 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.824 0.345 . . . . 10.54 110.967 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 36' ' ' HIS . . . . . . . . . . . . . 31.1 t60 -157.88 141.04 15.16 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.782 -0.645 . . . . 9.85 110.0 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -86.14 99.25 11.38 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.088 -0.505 . . . . 9.77 109.868 179.331 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 38' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -88.09 -172.71 3.93 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.206 -0.452 . . . . 9.82 110.451 -179.446 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.46 147.19 41.35 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 116.236 -0.438 . . . . 11.97 110.168 179.745 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -68.38 -15.19 41.75 Favored 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 122.456 2.104 . . . . 12.89 112.486 -179.282 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 41' ' ' SER . . . . . . . . . . . . . 1.4 m -91.59 4.19 53.23 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.252 -0.431 . . . . 14.42 111.025 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 42' ' ' ASP . . . . . 0.4 ' O ' ' HG ' ' C' ' 78' ' ' LEU . 85.7 m-20 -93.23 157.87 16.04 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.037 0.446 . . . . 11.77 111.088 -179.637 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 43' ' ' THR . . . . . 0.463 ' HA ' ' HA ' ' C' ' 77' ' ' PHE . 0.3 OUTLIER -103.09 167.18 9.99 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.857 -0.61 . . . . 11.4 109.668 179.697 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 44' ' ' ILE . . . . . 0.742 HG23 HD12 ' C' ' 65' ' ' LEU . 11.6 mm -55.89 -31.88 31.35 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 CA-C-O 121.193 0.52 . . . . 7.86 110.497 179.312 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 59.9 tp -56.99 -31.99 65.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.551 -0.75 . . . . 12.88 111.593 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 46' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -64.12 -38.33 90.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.766 0.317 . . . . 12.18 111.182 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 64.9 mt -66.05 -41.85 90.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 108.967 -0.753 . . . . 8.04 108.967 178.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 48' ' ' LYS . . . . . 0.619 ' HD3' HG23 ' C' ' 60' ' ' ILE . 77.5 mttt -61.81 -44.46 96.81 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.358 -0.837 . . . . 10.51 110.088 178.825 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -61.45 -40.64 95.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.753 -0.658 . . . . 13.94 111.09 179.587 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 44.7 t60 -65.94 -34.87 79.11 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.367 -0.379 . . . . 11.16 110.935 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 89.4 mt -64.19 -36.4 83.95 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.333 -0.394 . . . . 12.37 110.663 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 52' ' ' ILE . . . . . . . . . . . . . 49.8 mt -74.61 -43.18 48.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.232 -0.44 . . . . 15.35 110.68 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 12.4 p -64.94 -28.46 69.54 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.908 0.385 . . . . 15.02 110.952 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 54' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -89.82 10.25 24.32 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.326 -0.397 . . . . 14.38 110.776 178.685 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 55.3 39.22 31.24 Favored 'General case' 0 C--O 1.233 0.215 0 N-CA-C 113.234 0.827 . . . . 18.85 113.234 179.441 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 56' ' ' LYS . . . . . 0.433 ' HB3' ' CZ ' ' C' ' 32' ' ' PHE . 48.2 mmtm -98.02 -23.81 15.62 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.169 0.509 . . . . 14.47 109.766 179.202 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -138.73 179.61 6.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.49 -0.777 . . . . 15.28 109.482 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 58' ' ' SER . . . . . . . . . . . . . 3.7 m -117.53 -49.74 2.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.831 0.348 . . . . 17.75 111.725 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 59' ' ' HIS . . . . . 0.589 ' HB2' ' HG3' ' C' ' 62' ' ' GLU . 97.9 m-70 -121.67 151.05 40.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.958 0.408 . . . . 19.22 111.609 -179.682 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 60' ' ' ILE . . . . . 0.619 HG23 ' HD3' ' C' ' 48' ' ' LYS . 18.1 mm -64.0 -33.16 60.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.614 -0.721 . . . . 13.8 111.265 -179.719 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.94 -29.28 67.5 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.741 0.645 . . . . 14.67 112.741 -178.748 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 62' ' ' GLU . . . . . 0.589 ' HG3' ' HB2' ' C' ' 59' ' ' HIS . 28.5 mt-10 -71.42 -27.62 63.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.034 0.445 . . . . 16.71 111.312 -179.193 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 63' ' ' ILE . . . . . . . . . . . . . 32.3 mt -76.84 115.5 18.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.521 -0.763 . . . . 10.79 112.211 -178.369 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 64' ' ' LYS . . . . . 0.616 ' HB3' ' HB3' ' C' ' 93' ' ' MET . 35.8 tptt -116.78 106.36 13.39 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.535 -0.913 . . . . 9.73 108.535 178.597 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 65' ' ' LEU . . . . . 0.742 HD12 HG23 ' C' ' 44' ' ' ILE . 77.6 mt -92.84 144.07 25.64 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.752 0.311 . . . . 5.89 111.222 -179.407 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 66' ' ' LEU . . . . . 0.752 ' HB2' ' HB ' ' C' ' 91' ' ' THR . 9.6 mt -139.32 146.12 39.92 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.138 -0.483 . . . . 7.57 111.279 -179.434 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 67' ' ' LEU . . . . . 0.489 ' HB3' HD21 ' C' ' 72' ' ' LEU . 55.1 tp -147.48 111.21 5.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.056 -0.52 . . . . 7.44 109.934 178.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 13.8 mmmt 59.15 33.59 22.86 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.05 -0.523 . . . . 12.88 111.124 -179.484 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 93.58 -35.26 4.21 Favored Glycine 0 N--CA 1.449 -0.453 0 CA-C-N 115.713 -0.676 . . . . 8.93 112.59 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 70' ' ' LYS . . . . . 0.414 ' HE3' ' HA ' ' C' ' 70' ' ' LYS . 0.0 OUTLIER -67.09 126.16 28.31 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.846 0.355 . . . . 9.44 110.613 -179.715 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 71' ' ' VAL . . . . . 0.627 ' HA ' HD23 ' C' ' 66' ' ' LEU . 15.9 t -75.59 125.08 34.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.919 -0.582 . . . . 7.05 109.806 179.28 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 72' ' ' LEU . . . . . 0.489 HD21 ' HB3' ' C' ' 67' ' ' LEU . 28.8 mt -88.4 103.09 15.52 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.156 -0.474 . . . . 5.9 109.86 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 73' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -84.79 162.1 19.71 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.951 -0.568 . . . . 8.93 111.952 -179.302 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -55.95 -30.08 61.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.59 -0.732 . . . . 9.91 112.949 -178.613 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 75' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -91.08 23.41 3.26 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 113.187 0.81 . . . . 13.36 113.187 -177.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 76' ' ' LEU . . . . . . . . . . . . . 48.3 tp -112.43 135.72 52.78 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 122.133 -0.354 . . . . 9.58 110.483 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 77' ' ' PHE . . . . . 0.463 ' HA ' ' HA ' ' C' ' 43' ' ' THR . 21.1 m-85 -86.22 153.63 21.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.931 0.396 . . . . 14.32 111.679 -179.776 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 78' ' ' LEU . . . . . 0.603 ' HA ' ' HG ' ' C' ' 81' ' ' LEU . 36.1 mt -70.3 -20.58 63.01 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.088 -0.506 . . . . 9.53 111.218 -179.733 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 79' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.21 -19.82 63.97 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.14 -0.482 . . . . 12.75 111.885 -179.501 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 80' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -93.08 -14.0 27.86 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.825 0.345 . . . . 12.44 111.063 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 81' ' ' LEU . . . . . 0.603 ' HG ' ' HA ' ' C' ' 78' ' ' LEU . 36.0 mt -57.86 127.34 31.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.108 0.48 . . . . 10.15 111.76 -179.182 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 82' ' ' LYS . . . . . 0.468 ' H ' ' HG2' ' C' ' 82' ' ' LYS . 3.8 mmtt -83.21 57.45 3.97 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.749 -0.66 . . . . 12.59 109.715 179.738 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 1.6 m -89.31 101.64 12.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.397 0.618 . . . . 11.5 112.105 -178.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 84' ' ' THR . . . . . . . . . . . . . 33.3 p -99.28 166.44 12.96 Favored Pre-proline 0 C--N 1.321 -0.639 0 N-CA-C 108.388 -0.967 . . . . 13.96 108.388 179.205 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 85' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_exo -58.99 -24.02 71.24 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.231 1.954 . . . . 14.91 111.132 178.664 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -78.67 -34.11 46.5 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.841 -0.618 . . . . 15.11 111.023 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 87' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -134.75 80.85 1.87 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.323 0.583 . . . . 12.35 112.179 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 88' ' ' SER . . . . . . . . . . . . . 3.6 m -105.69 13.45 29.76 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.888 -0.597 . . . . 10.32 110.85 179.597 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 89' ' ' THR . . . . . . . . . . . . . 3.9 m -99.28 119.02 37.23 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.059 0.457 . . . . 9.82 111.603 -179.222 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 90' ' ' ILE . . . . . . . . . . . . . 43.9 mm -88.52 130.11 38.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 108.93 -0.767 . . . . 6.59 108.93 179.084 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 91' ' ' THR . . . . . 0.752 ' HB ' ' HB2' ' C' ' 66' ' ' LEU . 10.5 m -77.97 117.41 19.28 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.401 -0.363 . . . . 8.75 110.874 -179.648 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 92' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' C' ' 26' ' ' LYS . 48.2 t -103.93 111.35 33.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.187 0.517 . . . . 9.58 110.615 179.519 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 93' ' ' MET . . . . . 0.616 ' HB3' ' HB3' ' C' ' 64' ' ' LYS . 4.5 ttt -114.9 141.19 48.27 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.234 -0.654 . . . . 10.9 109.234 179.369 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 94' ' ' ILE . . . . . 0.611 HD12 ' HE2' ' C' ' 26' ' ' LYS . 51.9 mt -130.6 122.17 52.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 120.912 0.386 . . . . 13.44 110.713 179.71 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 95' ' ' LYS . . . . . 0.58 ' HD3' ' HD2' ' C' ' 96' ' ' PRO . 18.2 mmtp -134.82 145.83 56.34 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 115.907 -0.588 . . . . 14.6 109.925 179.685 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 96' ' ' PRO . . . . . 0.58 ' HD2' ' HD3' ' C' ' 95' ' ' LYS . 24.7 Cg_endo -61.81 142.45 93.65 Favored 'Trans proline' 0 C--O 1.235 0.361 0 C-N-CA 122.711 2.274 . . . . 17.56 112.022 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 13.1 t30 70.86 -95.8 0.0 OUTLIER Pre-proline 0 C--O 1.249 1.054 0 CA-C-O 117.911 -1.043 . . . . 18.17 111.835 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 98' ' ' PRO . . . . . . . . . . . . . . . . . . . . 1 C--N 1.249 -4.685 0 O-C-N 122.799 0.894 . . . . 15.75 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.739 ' N ' ' HG ' ' B' ' 87' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.425 0 CA-C-O 120.807 0.337 . . . . 10.47 110.093 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 34.7 mmm -81.82 -179.93 7.58 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.53 -0.544 . . . . 11.61 109.53 179.152 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -84.93 15.62 3.89 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.571 0.224 . . . . 10.77 110.994 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 58.0 61.72 2.28 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.349 0.595 . . . . 8.07 110.194 -179.286 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.41 ' HB2' ' HG3' ' A' ' 21' ' ' GLU . 1.0 OUTLIER -65.99 143.69 57.21 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.203 -0.908 . . . . 10.11 110.579 -179.415 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.528 ' HB3' ' HE2' ' A' ' 58' ' ' PHE . 61.8 mttm -57.6 -33.85 68.63 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.094 -0.503 . . . . 10.66 111.666 -179.257 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.4 pm0 -68.94 -35.86 77.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.479 -0.328 . . . . 11.43 111.01 179.146 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.41 ' HG3' ' HB2' ' A' ' 18' ' ' SER . 48.3 mt-10 -65.85 -46.23 79.26 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 109.441 -0.577 . . . . 8.91 109.441 179.422 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 40.6 mt -61.49 -47.21 94.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.325 -0.852 . . . . 6.35 110.078 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.57 -42.09 91.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.072 -0.513 . . . . 7.12 110.812 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.09 -43.38 98.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.991 -0.549 . . . . 7.6 110.591 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 39.5 mt -67.24 -35.48 79.65 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.385 -0.37 . . . . 5.59 110.927 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 92.9 mt -65.82 -51.5 60.89 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 CA-C-N 116.184 -0.462 . . . . 4.33 110.527 179.357 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.2 m -66.27 -33.13 61.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 C-N-CA 121.005 -0.278 . . . . 6.96 111.064 179.7 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -66.65 -36.89 83.64 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.292 -0.632 . . . . 7.34 109.292 178.519 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.45 ' O ' HG13 ' A' ' 33' ' ' ILE . 57.2 t80 -62.28 -49.92 73.74 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.656 -0.702 . . . . 5.51 110.01 178.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -60.53 -40.64 92.23 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.178 -0.465 . . . . 6.35 110.422 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.494 ' O ' ' HG2' ' A' ' 35' ' ' GLU . 43.3 m -63.52 -42.75 98.45 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.803 -0.635 . . . . 8.01 110.456 179.288 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 39.1 m -59.91 -34.35 73.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.099 0.476 . . . . 8.27 110.365 179.421 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.45 HG13 ' O ' ' A' ' 29' ' ' TYR . 79.5 mt -67.81 -48.04 77.19 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 CA-C-N 115.896 -0.593 . . . . 8.37 110.743 179.582 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 35.1 m -72.22 -22.42 20.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 N-CA-C 112.336 0.495 . . . . 9.63 112.336 -179.462 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.494 ' HG2' ' O ' ' A' ' 31' ' ' SER . 31.8 mm-40 -57.65 -52.69 64.38 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.397 0.617 . . . . 10.98 110.288 178.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 24.7 pttt -97.48 5.83 49.08 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.726 -0.67 . . . . 11.09 110.631 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 37.9 tttm 55.16 55.91 7.07 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.701 -0.681 . . . . 11.72 111.223 -179.255 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -92.1 36.03 0.98 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.595 -0.73 . . . . 9.58 109.738 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 16.4 tt -162.32 156.1 2.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.443 -0.799 . . . . 9.5 110.088 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.95 152.58 41.33 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.082 -0.508 . . . . 9.96 110.54 179.604 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -56.63 -35.77 68.7 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.185 -0.461 . . . . 11.9 111.845 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -61.52 -44.88 96.26 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 109.835 -0.432 . . . . 10.3 109.835 179.282 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.46 -37.72 58.38 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.85 -0.614 . . . . 8.47 111.65 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.28 -35.61 77.8 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 121.049 0.452 . . . . 8.42 110.213 179.357 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -60.47 -45.01 95.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.797 -0.638 . . . . 9.73 109.763 179.171 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.5 m -65.56 -31.12 72.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.75 -0.659 . . . . 7.86 110.634 178.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 78.3 mt -70.74 -33.45 70.85 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.87 0.367 . . . . 6.77 110.326 179.251 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.7 m-20 -60.17 -34.97 74.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.933 -0.576 . . . . 9.39 111.248 179.65 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.563 HG21 HD13 ' C' ' 66' ' ' LEU . 5.1 p -89.86 -38.73 11.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.403 -0.362 . . . . 9.6 111.119 179.414 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.63 -50.84 71.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.666 -0.243 . . . . 7.62 111.193 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 27.8 ttm -58.39 -37.0 74.4 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.412 0.625 . . . . 8.19 110.364 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -67.67 -42.52 82.02 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.154 -0.93 . . . . 11.12 110.522 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.463 ' HB2' ' HB2' ' B' ' 50' ' ' ALA . 79.4 m -65.52 -37.34 86.47 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.1 -0.5 . . . . 9.77 110.796 179.509 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 84.2 mt -63.05 -41.8 94.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.149 0.5 . . . . 9.06 109.785 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.537 ' HA ' ' CE1' ' A' ' 60' ' ' PHE . 16.6 m -59.2 -53.35 59.28 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.473 -0.785 . . . . 10.96 111.719 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -65.69 -35.95 82.23 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 112.101 0.408 . . . . 12.89 112.101 -179.083 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.52 -36.46 83.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.457 -0.338 . . . . 11.68 111.799 -179.605 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.528 ' HE2' ' HB3' ' A' ' 19' ' ' LYS . 57.8 m-85 -91.86 -2.88 56.65 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.803 0.335 . . . . 11.93 111.866 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.66 30.51 68.5 Favored Glycine 0 CA--C 1.519 0.3 0 C-N-CA 121.161 -0.543 . . . . 13.13 113.618 179.24 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.537 ' CE1' ' HA ' ' A' ' 55' ' ' SER . 7.5 p90 -128.99 145.32 51.27 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.875 0.337 . . . . 12.01 110.206 179.649 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.499 ' HG3' ' HB2' ' A' ' 64' ' ' ALA . 4.4 pt-20 -83.36 144.41 29.68 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.905 0.383 . . . . 14.85 111.412 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 27.0 ttp180 -58.03 -32.93 68.44 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.565 -0.743 . . . . 11.66 111.585 -179.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.72 2.21 23.63 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.713 0.634 . . . . 13.0 112.713 -179.239 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.499 ' HB2' ' HG3' ' A' ' 61' ' ' GLU . . . -105.0 3.09 30.23 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.809 0.338 . . . . 12.82 111.301 -179.722 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.3 p -58.53 -39.78 76.58 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 CA-C-N 116.262 -0.426 . . . . 10.88 111.331 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.38 -37.41 86.9 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.108 -0.497 . . . . 12.04 110.822 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -69.29 -45.44 61.04 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.928 -0.653 . . . . 12.77 111.758 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 87.3 mt -61.87 -47.53 92.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.745 0.307 . . . . 11.54 110.621 179.699 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 89.6 mt -63.58 -37.83 88.83 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.46 -0.337 . . . . 10.42 111.217 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -65.15 -31.56 81.12 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 121.092 -0.575 . . . . 12.46 113.261 -179.519 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -96.13 8.36 44.01 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.131 0.419 . . . . 14.12 112.131 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 19.4 m -118.03 170.2 9.04 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.587 -0.278 . . . . 10.83 110.436 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.551 ' HG3' ' HB3' ' A' ' 14' ' ' MET . 17.2 mm-40 -71.95 -23.54 61.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.887 0.375 . . . . 10.68 111.422 -179.371 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -82.43 39.41 0.6 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.207 -0.451 . . . . 8.37 112.05 -178.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 12.2 ptmt -87.15 120.61 28.61 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.989 0.423 . . . . 12.83 111.009 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 90.17 12.78 61.26 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.971 -0.633 . . . . 9.82 112.168 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -125.71 159.01 33.38 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.852 0.358 . . . . 8.93 110.649 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 4.3 m80 -122.11 158.43 29.3 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.075 -0.713 . . . . 8.72 109.075 179.409 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 20.8 tp -58.19 -31.66 67.51 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.809 0.338 . . . . 4.7 111.518 -179.476 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.31 -58.7 5.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.089 -0.505 . . . . 5.96 111.549 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -60.87 -37.89 83.69 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 112.612 0.597 . . . . 7.82 112.612 -179.371 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.79 -47.86 89.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.887 0.375 . . . . 5.79 110.469 179.303 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.9 mp -72.31 -23.98 61.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 5.97 110.885 179.609 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.413 ' OD1' ' HA ' ' B' ' 16' ' ' SER . 25.4 t30 -71.61 -33.97 69.44 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.202 -0.454 . . . . 9.2 110.272 179.422 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 11.1 m -82.17 -9.19 59.6 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.645 -0.707 . . . . 7.98 110.744 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -69.03 96.8 0.81 Allowed 'General case' 0 C--O 1.237 0.426 0 CA-C-O 121.329 0.585 . . . . 7.06 111.091 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 12.8 m -86.78 108.39 18.69 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.578 -0.737 . . . . 9.21 109.87 179.417 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -125.4 127.35 46.42 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.081 -0.509 . . . . 9.55 109.98 -179.644 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 13.3 t -106.52 116.64 58.73 Favored Pre-proline 0 C--N 1.319 -0.738 0 N-CA-C 109.663 -0.495 . . . . 12.15 109.663 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_exo -71.61 73.48 2.3 Favored 'Trans proline' 0 C--O 1.233 0.256 0 C-N-CA 123.174 2.583 . . . . 12.82 112.195 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -80.07 90.7 5.43 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.026 -0.534 . . . . 14.19 110.929 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 40.4 m . . . . . 0 C--O 1.248 0.987 0 N-CA-C 109.208 -0.664 . . . . 15.67 109.208 179.766 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 14' ' ' MET . . . . . 0.545 ' HB3' ' OE2' ' B' ' 73' ' ' GLU . 50.0 ttp . . . . . 0 N--CA 1.48 1.061 0 CA-C-O 120.641 0.258 . . . . 11.23 110.855 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' MET . . . . . 0.44 ' HG2' ' OE2' ' B' ' 73' ' ' GLU . 94.3 mmm -80.97 53.83 2.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.713 -0.221 . . . . 13.11 110.968 179.666 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 16' ' ' SER . . . . . 0.413 ' HA ' ' OD1' ' A' ' 84' ' ' ASN . 14.7 m 62.95 101.12 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.066 -0.515 . . . . 11.45 111.214 -178.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.61 103.7 0.22 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.043 -0.526 . . . . 8.27 111.286 -179.28 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 1.4 m -78.41 163.52 25.56 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.692 -0.686 . . . . 9.28 110.684 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -59.67 -43.87 93.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.287 -0.415 . . . . 8.44 111.339 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 6.9 pm0 -63.76 -36.19 83.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.288 -0.414 . . . . 9.58 111.295 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -69.64 -44.35 70.8 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.109 -0.496 . . . . 8.61 110.707 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 90.3 mt -65.53 -43.58 94.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.144 -0.48 . . . . 4.87 110.129 179.389 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.0 -38.48 82.72 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.889 -0.596 . . . . 4.42 110.951 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.76 -39.58 89.29 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.346 -0.388 . . . . 5.79 110.678 179.706 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 77.7 mt -71.42 -34.94 70.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 4.52 110.403 179.356 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 97.9 mt -64.61 -51.13 71.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.934 -0.576 . . . . 4.37 110.526 179.411 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 30.6 m -66.78 -31.77 55.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.546 -0.297 . . . . 6.25 110.86 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -64.29 -42.49 96.38 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.56 -0.533 . . . . 6.91 109.56 178.429 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -61.34 -47.96 83.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.572 -0.74 . . . . 7.07 110.332 179.209 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 19.9 m-30 -62.18 -39.13 91.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.276 -0.42 . . . . 8.36 110.894 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 41.3 m -65.98 -33.87 76.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.077 -0.511 . . . . 9.5 110.515 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 33.6 m -70.05 -24.07 63.2 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.099 0.476 . . . . 9.77 110.919 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.753 HG23 ' HB2' ' B' ' 38' ' ' GLU . 91.3 mt -77.23 -46.85 27.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.969 -0.56 . . . . 11.09 110.03 179.528 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 35.5 m -80.33 -2.91 5.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.008 -0.542 . . . . 12.38 111.368 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.02 -41.83 34.46 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.738 -0.665 . . . . 13.19 110.789 179.508 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 10.3 pttm -115.01 8.44 15.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.482 -0.326 . . . . 13.7 111.528 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 21.1 ttmm 60.91 67.14 0.84 Allowed 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.513 -0.767 . . . . 15.86 112.006 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' GLU . . . . . 0.753 ' HB2' HG23 ' B' ' 33' ' ' ILE . 50.7 mt-10 -86.51 -20.74 27.59 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.999 -0.546 . . . . 12.56 110.348 179.203 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 39' ' ' ILE . . . . . 0.49 HG13 ' H ' ' B' ' 40' ' ' SER . 7.9 tp -116.01 169.89 6.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.144 -0.48 . . . . 13.67 110.744 -179.202 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 40' ' ' SER . . . . . 0.49 ' H ' HG13 ' B' ' 39' ' ' ILE . 5.6 p -72.29 168.16 18.91 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.878 0.37 . . . . 15.14 111.378 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.7 -32.14 73.17 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.855 0.687 . . . . 16.66 112.855 -179.271 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 42' ' ' ASP . . . . . 0.523 ' HB3' ' HB2' ' C' ' 29' ' ' ALA . 20.4 p-10 -74.64 -42.07 59.21 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.742 -0.383 . . . . 15.52 110.506 179.236 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.43 -35.6 91.57 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.792 -0.718 . . . . 13.17 111.416 178.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.06 -32.01 73.51 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.813 0.339 . . . . 12.42 110.798 179.45 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -67.5 -49.32 63.99 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.386 -0.598 . . . . 13.38 109.386 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 3.6 m -61.15 -40.56 94.3 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.81 -0.632 . . . . 11.72 110.655 179.111 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 47.1 mt -62.13 -37.33 84.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.247 -0.433 . . . . 9.64 110.758 179.169 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -65.32 -36.64 84.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.072 -0.513 . . . . 11.12 109.845 179.537 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 98.7 t -70.07 -48.63 61.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.048 -0.524 . . . . 10.04 109.719 179.084 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' ALA . . . . . 0.463 ' HB2' ' HB2' ' A' ' 53' ' ' CYS . . . -60.54 -36.23 77.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.993 -0.549 . . . . 8.26 110.923 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 51' ' ' MET . . . . . 0.613 ' SD ' ' HD3' ' B' ' 62' ' ' ARG . 43.9 ttm -55.62 -41.18 73.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.101 -0.5 . . . . 7.93 110.931 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -72.73 -46.04 55.59 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.834 -0.621 . . . . 9.48 110.554 179.481 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 53' ' ' CYS . . . . . 0.427 ' SG ' ' HA2' ' C' ' 69' ' ' GLY . 27.6 m -57.1 -42.74 81.36 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.703 -0.68 . . . . 8.11 111.66 -179.705 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 95.2 mt -66.7 -43.77 89.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.84 0.352 . . . . 6.13 110.668 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' SER . . . . . 0.418 ' HB3' ' O ' ' B' ' 60' ' ' PHE . 49.2 m -58.22 -52.3 66.17 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.989 -0.55 . . . . 7.39 112.167 -179.35 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -67.99 -31.52 71.28 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.237 0.458 . . . . 8.81 112.237 -179.059 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.54 -46.45 85.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.846 0.355 . . . . 7.38 111.422 -179.62 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -81.86 -22.02 37.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 8.09 111.848 -179.552 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.83 56.39 1.52 Allowed Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.704 -0.76 . . . . 9.43 113.141 179.024 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' PHE . . . . . 0.418 ' O ' ' HB3' ' B' ' 55' ' ' SER . 21.3 p90 -161.68 170.29 19.98 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.825 -0.435 . . . . 8.7 109.825 179.074 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -119.39 147.12 44.72 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.766 0.317 . . . . 11.16 110.783 179.139 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 62' ' ' ARG . . . . . 0.613 ' HD3' ' SD ' ' B' ' 51' ' ' MET . 49.8 ttp180 -57.06 -34.95 68.78 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.667 -0.697 . . . . 10.74 111.554 -179.478 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 18.9 mp0 -69.22 -5.14 20.85 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.53 0.567 . . . . 11.8 112.53 -179.143 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -116.0 13.86 15.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.756 0.312 . . . . 10.53 111.204 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 8.1 p -64.93 -31.42 53.82 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 CA-C-N 116.446 -0.343 . . . . 9.11 111.852 -179.551 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 1.7 m -67.19 -32.37 73.4 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 121.032 0.444 . . . . 10.71 110.989 -179.663 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -71.96 -28.28 68.94 Favored Glycine 0 N--CA 1.451 -0.351 0 N-CA-C 111.729 -0.548 . . . . 11.05 111.729 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 59.4 mt -81.27 -53.22 12.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.949 0.404 . . . . 9.74 109.996 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 78.4 mt -61.31 -33.15 73.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.067 -0.515 . . . . 9.17 111.675 -179.604 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -79.05 -10.9 85.72 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.987 -0.625 . . . . 11.56 112.271 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -98.14 -39.21 9.0 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.233 0.54 . . . . 12.46 110.048 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 68.9 m -79.05 168.79 19.17 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.625 -0.716 . . . . 9.82 110.938 179.255 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.545 ' OE2' ' HB3' ' B' ' 14' ' ' MET . 1.3 mt-10 -80.8 14.59 2.1 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.033 -0.531 . . . . 10.24 111.219 -179.769 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -97.71 7.38 46.53 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.938 0.399 . . . . 7.68 110.946 -179.672 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 11.3 ptmt -65.19 122.69 17.68 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.953 -0.567 . . . . 11.56 110.992 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 89.0 10.45 66.44 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.706 -0.759 . . . . 8.65 111.567 -179.5 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -125.31 159.38 31.86 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.939 0.399 . . . . 7.58 110.267 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 36.2 m80 -125.63 156.92 38.45 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.038 -0.727 . . . . 7.9 109.038 179.318 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 27.0 tp -57.34 -45.17 84.56 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.844 0.354 . . . . 4.14 111.274 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.52 -35.72 79.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 5.79 111.079 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -63.12 -40.78 98.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.918 -0.583 . . . . 6.75 111.373 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 82.6 mt -70.43 -42.68 78.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.969 -0.56 . . . . 4.76 111.26 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 6.9 mp -64.95 -24.44 67.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.019 0.437 . . . . 5.48 111.66 -179.511 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 28.2 t30 -75.27 -42.6 54.64 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.068 -0.514 . . . . 7.63 110.943 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.85 -48.72 10.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.027 -0.533 . . . . 6.84 112.06 -178.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -76.33 93.06 3.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.194 0.521 . . . . 6.55 110.941 -179.291 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 87' ' ' SER . . . . . 0.739 ' HG ' ' N ' ' A' ' 14' ' ' MET . 22.0 m -129.85 160.4 33.63 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.011 -0.541 . . . . 8.4 110.931 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 55.8 mtp180 -136.59 156.2 48.89 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.337 -0.392 . . . . 10.35 109.971 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 46.9 t -85.7 118.21 70.18 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 116.282 -0.417 . . . . 11.96 110.147 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -60.45 107.96 0.48 Allowed 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 123.034 2.49 . . . . 13.1 112.556 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.414 ' HA ' ' OE1' ' B' ' 91' ' ' GLU . 2.4 tp10 -80.2 94.76 6.11 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.064 -0.516 . . . . 14.34 110.56 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 51.1 m . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.285 -0.864 . . . . 16.55 109.68 179.852 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 24.6 t . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.446 -0.576 . . . . 9.95 109.446 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 21' ' ' HIS . . . . . . . . . . . . . 50.1 t60 -76.33 123.86 26.6 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.884 -0.598 . . . . 9.34 110.923 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 22' ' ' LEU . . . . . . . . . . . . . 92.7 mt -133.92 139.67 46.3 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.123 -0.489 . . . . 6.88 110.8 179.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 23' ' ' THR . . . . . 0.714 HG23 ' HG2' ' C' ' 35' ' ' GLU . 5.7 m -105.13 117.56 34.31 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.077 -0.712 . . . . 8.91 109.077 179.281 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 24' ' ' LEU . . . . . 0.48 HD23 ' HB ' ' C' ' 90' ' ' ILE . 31.3 mt -97.14 119.29 35.35 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.832 -0.167 . . . . 8.66 110.929 -179.028 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 25' ' ' LYS . . . . . 0.479 ' HA ' ' O ' ' C' ' 32' ' ' PHE . 29.1 tttt -129.36 130.47 46.09 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 123.266 0.354 . . . . 13.38 111.395 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 26' ' ' LYS . . . . . 0.4 ' HA ' ' O ' ' C' ' 92' ' ' VAL . 26.8 ttpp -94.54 136.9 34.32 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.999 -0.371 . . . . 14.09 109.999 179.28 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 27' ' ' ILE . . . . . . . . . . . . . 9.1 pt -83.31 -38.63 14.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 112.165 0.432 . . . . 14.88 112.165 -179.624 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 15.0 mp0 -69.46 133.85 48.23 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.776 -0.193 . . . . 15.23 110.673 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 29' ' ' ALA . . . . . 0.523 ' HB2' ' HB3' ' B' ' 42' ' ' ASP . . . -69.18 142.45 92.78 Favored Pre-proline 0 C--N 1.33 -0.28 0 O-C-N 123.157 0.286 . . . . 18.5 110.445 179.342 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 30' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -75.03 140.8 69.31 Favored 'Cis proline' 0 C--N 1.343 0.243 0 C-N-CA 123.341 -1.525 . . . . 17.48 112.017 -0.348 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 31' ' ' LYS . . . . . 0.41 ' CE ' ' HA ' ' B' ' 42' ' ' ASP . 89.2 mttt -83.44 150.63 25.91 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.503 -0.317 . . . . 17.53 111.218 -179.405 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 32' ' ' PHE . . . . . 0.479 ' O ' ' HA ' ' C' ' 25' ' ' LYS . 17.8 p90 -150.21 147.76 28.09 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.896 -0.593 . . . . 13.5 109.812 178.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 33' ' ' SER . . . . . . . . . . . . . 15.0 m -131.93 101.16 5.32 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.427 -0.351 . . . . 12.36 110.281 179.174 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 34' ' ' ILE . . . . . 0.421 HG12 ' HE1' ' C' ' 32' ' ' PHE . 42.7 pt -108.03 149.23 11.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.477 -0.329 . . . . 10.72 110.114 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 35' ' ' GLU . . . . . 0.714 ' HG2' HG23 ' C' ' 23' ' ' THR . 6.3 mt-10 -121.31 144.45 48.63 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.113 0.482 . . . . 10.54 111.343 -179.398 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 36' ' ' HIS . . . . . . . . . . . . . 16.2 t60 -159.01 157.7 31.75 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.833 -0.621 . . . . 9.85 109.921 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -112.78 113.54 25.68 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.938 0.399 . . . . 9.77 109.996 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 38' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -97.7 177.51 5.46 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.156 -0.474 . . . . 9.82 110.728 -179.133 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -96.25 153.84 38.91 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 116.36 -0.382 . . . . 11.97 110.07 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -66.15 -23.53 52.77 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.387 2.058 . . . . 12.89 111.387 179.498 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.33 -5.12 59.25 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.676 -0.693 . . . . 14.42 111.542 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 42' ' ' ASP . . . . . 0.452 ' O ' ' HG ' ' C' ' 78' ' ' LEU . 13.9 m-20 -77.0 159.65 29.75 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 120.908 0.385 . . . . 11.77 110.421 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 74.1 p -115.86 174.2 6.15 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.43 -0.581 . . . . 11.4 109.43 179.111 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 44' ' ' ILE . . . . . 0.491 HG23 HD12 ' C' ' 65' ' ' LEU . 47.7 mm -62.27 -29.99 47.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.12 0.486 . . . . 7.86 110.044 179.217 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 45.4 tp -62.44 -36.2 81.64 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 115.766 -0.652 . . . . 12.88 110.711 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 46' ' ' GLN . . . . . 0.436 ' HA ' ' OE1' ' C' ' 49' ' ' GLN . 1.4 mp0 -63.08 -36.79 84.75 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.35 -0.386 . . . . 12.18 110.704 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 60.7 mt -65.77 -42.94 93.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 109.361 -0.607 . . . . 8.04 109.361 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -61.75 -45.39 94.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.516 -0.766 . . . . 10.51 110.411 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 49' ' ' GLN . . . . . 0.436 ' OE1' ' HA ' ' C' ' 46' ' ' GLN . 73.3 mt-30 -61.26 -34.66 75.54 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.194 -0.457 . . . . 13.94 110.664 179.579 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 50' ' ' HIS . . . . . 0.602 ' O ' ' HG2' ' C' ' 54' ' ' GLU . 11.0 t60 -73.39 -30.71 63.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.031 -0.531 . . . . 11.16 111.343 -179.545 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 30.9 mt -66.68 -27.38 67.61 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.975 0.417 . . . . 12.37 111.025 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 52' ' ' ILE . . . . . . . . . . . . . 56.2 mt -73.98 -40.94 52.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.117 -0.492 . . . . 15.35 110.542 179.633 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 3.7 p -67.75 -27.53 66.86 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.945 0.403 . . . . 15.02 111.208 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 54' ' ' GLU . . . . . 0.602 ' HG2' ' O ' ' C' ' 50' ' ' HIS . 6.6 mm-40 -86.61 8.88 20.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.357 -0.383 . . . . 14.38 110.077 179.352 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 58.73 36.44 24.87 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 115.569 -0.741 . . . . 18.85 112.778 179.339 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 41.5 mmtm -103.9 -10.32 18.26 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.518 -0.31 . . . . 14.47 111.244 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.63 169.28 21.94 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 116.418 -0.355 . . . . 15.28 110.358 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 58' ' ' SER . . . . . . . . . . . . . 41.3 t -113.44 -44.45 3.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.825 0.345 . . . . 17.75 110.934 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 59' ' ' HIS . . . . . 0.66 ' HB2' ' HG3' ' C' ' 62' ' ' GLU . 97.6 m-70 -125.93 154.01 43.43 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.34 -0.391 . . . . 19.22 111.257 -179.646 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 60' ' ' ILE . . . . . 0.412 ' HA ' HD12 ' C' ' 63' ' ' ILE . 35.0 mm -66.27 -36.88 78.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.856 -0.611 . . . . 13.8 110.096 179.34 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.04 -21.95 66.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.516 -0.766 . . . . 14.67 112.066 -179.304 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 62' ' ' GLU . . . . . 0.66 ' HG3' ' HB2' ' C' ' 59' ' ' HIS . 68.1 mt-10 -78.76 -28.53 44.79 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.332 -0.395 . . . . 16.71 110.621 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 63' ' ' ILE . . . . . 0.412 HD12 ' HA ' ' C' ' 60' ' ' ILE . 17.8 mt -78.69 108.82 12.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 113.184 0.809 . . . . 10.79 113.184 -177.459 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 64' ' ' LYS . . . . . 0.804 ' HB3' ' HB2' ' C' ' 93' ' ' MET . 79.2 tttt -113.9 111.2 21.33 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.059 -1.089 . . . . 9.73 108.059 178.478 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 65' ' ' LEU . . . . . 0.491 HD12 HG23 ' C' ' 44' ' ' ILE . 86.5 mt -102.13 150.24 23.47 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.912 0.386 . . . . 5.89 111.852 -178.665 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 66' ' ' LEU . . . . . 0.563 HD13 HG21 ' A' ' 49' ' ' VAL . 0.7 OUTLIER -139.94 146.22 38.9 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.073 -0.512 . . . . 7.57 111.202 179.759 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 67' ' ' LEU . . . . . 0.429 ' N ' ' HG ' ' C' ' 66' ' ' LEU . 69.2 tp -137.43 90.7 2.53 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.774 -0.648 . . . . 7.44 109.792 178.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 68' ' ' LYS . . . . . 0.426 ' HB3' ' HE3' ' C' ' 68' ' ' LYS . 0.0 OUTLIER 59.31 73.53 0.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.786 -0.643 . . . . 12.88 111.938 179.586 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 69' ' ' GLY . . . . . 0.427 ' HA2' ' SG ' ' B' ' 53' ' ' CYS . . . 75.71 -42.35 1.52 Allowed Glycine 0 CA--C 1.523 0.557 0 N-CA-C 114.378 0.511 . . . . 8.93 114.378 179.126 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 70' ' ' LYS . . . . . 0.828 ' HE3' ' HA ' ' C' ' 70' ' ' LYS . 0.0 OUTLIER -78.17 138.14 38.54 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.885 0.374 . . . . 9.44 111.857 -179.42 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 71' ' ' VAL . . . . . . . . . . . . . 94.3 t -85.48 130.07 36.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.044 -0.526 . . . . 7.05 109.645 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 72' ' ' LEU . . . . . 0.47 ' HB2' ' HB2' ' C' ' 65' ' ' LEU . 69.3 mt -80.91 100.81 9.08 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.14 0.495 . . . . 5.9 110.465 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 73' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -82.53 153.37 25.58 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.524 -0.762 . . . . 8.93 110.374 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -56.56 -39.33 73.26 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.965 0.412 . . . . 9.91 111.187 -179.337 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 75' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -80.84 66.15 6.25 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.697 -0.683 . . . . 13.36 111.002 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 76' ' ' LEU . . . . . . . . . . . . . 63.8 tp -157.16 132.34 9.01 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.647 -0.706 . . . . 9.58 109.862 179.586 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -88.3 146.96 25.02 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.254 -0.43 . . . . 14.32 110.824 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 78' ' ' LEU . . . . . 0.711 ' HA ' ' HG ' ' C' ' 81' ' ' LEU . 17.4 mt -69.37 -12.54 61.75 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.149 -0.478 . . . . 9.53 111.297 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 79' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.24 -10.11 59.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.983 0.42 . . . . 12.75 111.052 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 80' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -112.13 8.8 20.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.429 0.633 . . . . 12.44 110.41 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 81' ' ' LEU . . . . . 0.711 ' HG ' ' HA ' ' C' ' 78' ' ' LEU . 14.9 mt -73.87 124.09 25.47 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.036 -0.529 . . . . 10.15 110.553 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 82' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -82.63 64.61 7.35 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.219 0.533 . . . . 12.59 110.324 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 11.9 m -105.39 137.62 34.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.784 -0.643 . . . . 11.5 111.361 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 84' ' ' THR . . . . . 0.653 ' HB ' ' HD2' ' C' ' 85' ' ' PRO . 19.5 p -134.89 175.35 3.7 Favored Pre-proline 0 C--N 1.321 -0.666 0 N-CA-C 108.957 -0.757 . . . . 13.96 108.957 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 85' ' ' PRO . . . . . 0.653 ' HD2' ' HB ' ' C' ' 84' ' ' THR . 76.6 Cg_exo -53.31 -28.47 43.27 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 122.468 2.112 . . . . 14.91 112.014 178.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -80.39 -61.83 1.86 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.952 0.406 . . . . 15.11 110.566 179.212 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 87' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -101.36 87.47 3.22 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.054 0.454 . . . . 12.35 111.959 -179.678 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 88' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -121.1 8.99 10.42 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.817 -0.629 . . . . 10.32 110.033 179.397 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 89' ' ' THR . . . . . . . . . . . . . 2.4 m -99.21 131.94 44.88 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.627 -0.715 . . . . 9.82 111.233 -179.256 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 90' ' ' ILE . . . . . 0.48 ' HB ' HD23 ' C' ' 24' ' ' LEU . 46.8 mm -104.0 131.24 53.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 109.185 -0.672 . . . . 6.59 109.185 179.679 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 91' ' ' THR . . . . . 0.427 ' HB ' ' HB3' ' C' ' 66' ' ' LEU . 7.3 m -82.71 123.66 29.5 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.848 0.356 . . . . 8.75 110.885 -179.741 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 92' ' ' VAL . . . . . 0.4 ' O ' ' HA ' ' C' ' 26' ' ' LYS . 29.1 t -106.05 127.99 60.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.007 -0.542 . . . . 9.58 110.475 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 93' ' ' MET . . . . . 0.804 ' HB2' ' HB3' ' C' ' 64' ' ' LYS . 79.8 mtp -125.21 145.64 49.88 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.125 -0.695 . . . . 10.9 109.125 178.795 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 94' ' ' ILE . . . . . 0.507 ' HA ' ' O ' ' C' ' 62' ' ' GLU . 74.3 mt -124.59 120.96 60.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 123.222 0.326 . . . . 13.44 110.445 179.326 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 95' ' ' LYS . . . . . 0.43 ' O ' ' HA ' ' C' ' 62' ' ' GLU . 16.4 mmtp -134.97 139.4 31.99 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 116.203 -0.453 . . . . 14.6 111.15 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 96' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -75.11 92.07 1.01 Allowed 'Trans proline' 0 N--CA 1.462 -0.359 0 C-N-CA 122.359 2.039 . . . . 17.56 111.954 179.533 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 4.8 t30 75.22 93.2 0.05 OUTLIER Pre-proline 0 C--O 1.246 0.902 0 CA-C-N 115.605 -0.725 . . . . 18.17 111.764 179.292 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 98' ' ' PRO . . . . . . . . . . . . . . . . . . . . 1 C--N 1.251 -4.571 0 O-C-N 122.702 0.843 . . . . 15.75 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.688 ' N ' ' HG ' ' B' ' 87' ' ' SER . 30.7 ttm . . . . . 0 N--CA 1.482 1.169 0 CA-C-O 120.804 0.335 . . . . 10.47 111.224 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 23.4 mmt -85.87 -69.59 0.65 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.35 -0.387 . . . . 11.61 111.528 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.9 m -146.3 -36.09 0.26 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.628 0.603 . . . . 10.77 112.628 -179.429 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 61.96 53.81 2.96 Favored 'General case' 0 N--CA 1.462 0.148 0 N-CA-C 108.417 -0.957 . . . . 8.07 108.417 -178.541 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.5 m -71.74 167.17 20.46 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.388 -1.278 . . . . 10.11 112.262 -178.29 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 18.3 mtmm -56.1 -42.63 77.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.626 -0.716 . . . . 10.66 112.138 -179.292 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.8 pm0 -67.45 -35.61 79.54 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.571 0.224 . . . . 11.43 111.181 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -68.32 -43.17 78.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.106 0.479 . . . . 8.91 110.139 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 87.2 mt -69.03 -42.52 82.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.719 -0.673 . . . . 6.35 110.428 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.53 -39.24 79.59 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.272 -0.422 . . . . 7.12 110.946 179.527 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.89 -39.74 90.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.849 -0.614 . . . . 7.6 110.502 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 77.6 mt -68.51 -38.76 81.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.435 . . . . 5.59 110.644 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 88.1 mt -61.41 -52.97 54.93 Favored 'Isoleucine or valine' 0 C--O 1.236 0.351 0 CA-C-N 115.75 -0.659 . . . . 4.33 110.428 179.446 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 26.9 m -66.94 -32.5 58.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.406 -0.361 . . . . 6.96 110.973 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 32.5 t30 -61.27 -43.92 98.09 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.962 0.411 . . . . 7.34 109.901 178.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.45 ' O ' HG13 ' A' ' 33' ' ' ILE . 22.0 t80 -63.71 -49.56 72.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.022 -0.535 . . . . 5.51 110.247 179.377 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -58.0 -43.14 86.47 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.31 -0.404 . . . . 6.35 110.909 179.605 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 46.8 m -61.8 -43.05 99.61 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.989 -0.55 . . . . 8.01 110.408 179.29 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.547 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 19.7 m -64.24 -34.3 77.79 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.221 -0.445 . . . . 8.27 110.708 179.634 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.45 HG13 ' O ' ' A' ' 29' ' ' TYR . 96.8 mt -62.18 -48.18 89.63 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 CA-C-N 116.221 -0.445 . . . . 8.37 111.234 179.521 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 22.0 m -73.69 -27.53 23.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 112.141 0.423 . . . . 9.63 112.141 -179.353 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -63.87 -39.12 93.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.753 0.311 . . . . 10.98 111.797 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.547 ' HG2' ' O ' ' A' ' 32' ' ' SER . 18.6 pttt -106.45 11.17 31.06 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.813 0.301 . . . . 11.09 111.813 -179.79 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 34.7 tttm 53.38 61.72 3.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.983 -0.553 . . . . 11.72 112.064 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -95.45 7.25 46.78 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.937 -0.574 . . . . 9.58 110.63 179.322 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 16.3 tt -142.07 159.2 20.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.743 -0.662 . . . . 9.5 109.61 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.37 163.53 27.49 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.765 0.317 . . . . 9.96 110.954 -179.707 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.462 ' CD ' ' H ' ' A' ' 41' ' ' GLU . 16.6 mp0 -57.93 -38.87 76.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.261 0.553 . . . . 11.9 109.812 179.746 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -57.3 -44.81 84.42 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.084 -0.962 . . . . 10.3 110.933 179.391 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.05 -33.77 70.03 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 121.1 -0.571 . . . . 8.47 112.255 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.91 -33.92 76.81 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.145 0.498 . . . . 8.42 110.143 179.364 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -61.58 -46.33 90.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.488 -0.778 . . . . 9.73 110.189 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -65.82 -35.05 79.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.876 -0.602 . . . . 7.86 110.829 179.756 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 71.1 mt -66.69 -27.74 67.89 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 116.441 -0.345 . . . . 6.77 111.415 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -60.48 -29.95 69.38 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.008 -0.542 . . . . 9.39 111.271 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.51 HG11 HD22 ' C' ' 66' ' ' LEU . 7.2 p -102.31 -34.56 3.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 C-N-CA 120.709 -0.396 . . . . 9.6 111.505 179.329 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.547 ' HB2' ' HB2' ' B' ' 53' ' ' CYS . . . -59.55 -52.6 64.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.481 -0.327 . . . . 7.62 111.459 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 43.0 ttm -62.87 -37.24 86.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.123 0.487 . . . . 8.19 110.754 -179.489 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.404 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 36.8 t0 -63.29 -45.7 90.17 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.614 -0.721 . . . . 11.12 110.932 -179.579 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 83.5 m -64.55 -43.48 93.79 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.117 -0.492 . . . . 9.77 111.409 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 96.5 mt -59.37 -42.99 89.22 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-O 120.84 0.353 . . . . 9.06 110.916 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.514 ' HA ' ' CE1' ' A' ' 60' ' ' PHE . 18.4 m -57.81 -58.41 8.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.794 -0.639 . . . . 10.96 112.016 -179.333 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.404 ' HG2' ' O ' ' A' ' 52' ' ' ASP . 6.9 pt-20 -65.27 -31.64 72.89 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.846 0.684 . . . . 12.89 112.846 -178.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.59 -49.35 71.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.638 0.256 . . . . 11.68 111.203 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -76.42 -15.39 59.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.892 0.377 . . . . 11.93 111.47 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.26 32.11 20.86 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.759 -0.734 . . . . 13.13 112.887 179.282 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.514 ' CE1' ' HA ' ' A' ' 55' ' ' SER . 17.1 p90 -128.9 156.22 44.04 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.796 0.331 . . . . 12.01 110.611 179.602 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 74.3 mt-10 -96.16 142.76 27.96 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.581 -0.282 . . . . 14.85 110.704 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 43.4 ttp180 -58.71 -40.91 85.07 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.145 0.498 . . . . 11.66 110.787 179.574 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.9 -7.44 48.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.775 -0.648 . . . . 13.0 111.782 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -98.71 5.3 47.71 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 111.696 0.258 . . . . 12.82 111.696 -179.334 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 13.5 p -59.8 -36.72 67.89 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 CA-C-O 120.896 0.379 . . . . 10.88 111.173 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -65.32 -34.08 77.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.11 -0.496 . . . . 12.04 110.189 179.461 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -69.68 -48.75 40.84 Favored Glycine 0 N--CA 1.443 -0.879 0 CA-C-N 115.738 -0.665 . . . . 12.77 111.943 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 49.8 mt -60.05 -51.5 72.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.688 0.28 . . . . 11.54 110.905 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.561 ' O ' ' HB3' ' A' ' 75' ' ' LYS . 96.2 mt -62.67 -31.91 72.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.826 0.346 . . . . 10.42 111.296 -179.633 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -68.48 -33.03 76.04 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 121.032 -0.604 . . . . 12.46 113.355 -179.595 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.407 ' HE2' ' HB3' ' A' ' 71' ' ' LYS . 14.8 ptpt -94.75 -23.79 17.39 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.273 0.472 . . . . 14.12 112.273 -179.336 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 14.7 m -78.75 -179.58 6.6 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.921 0.391 . . . . 10.83 111.266 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -82.35 -30.36 30.43 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.059 -0.518 . . . . 10.68 111.344 -179.686 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -81.95 58.71 4.01 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.109 0.48 . . . . 8.37 111.572 -178.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.561 ' HB3' ' O ' ' A' ' 69' ' ' LEU . 11.5 ptmt -98.14 115.86 29.18 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.053 0.454 . . . . 12.83 111.154 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 90.51 17.37 52.75 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.805 -0.712 . . . . 9.82 111.755 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 25.4 mm-40 -127.56 130.4 49.02 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 110.189 -0.301 . . . . 8.93 110.189 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 48.7 m80 -88.58 160.71 17.31 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.372 -0.973 . . . . 8.72 108.372 178.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 27.4 tp -57.33 -37.95 73.34 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.046 0.45 . . . . 4.7 111.131 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.78 -35.67 77.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.982 -0.554 . . . . 5.96 111.421 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -60.46 -48.46 81.66 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.032 0.444 . . . . 7.82 110.822 -179.228 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 53.5 mt -64.03 -47.84 88.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.788 -0.642 . . . . 5.79 110.595 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.3 mp -63.12 -33.74 76.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.876 -0.602 . . . . 5.97 111.575 -179.53 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -74.09 -39.22 63.56 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.315 -0.402 . . . . 9.2 110.756 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 42.2 m -65.42 -34.78 79.1 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.19 0.519 . . . . 7.98 110.049 179.204 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -68.86 130.95 44.27 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.748 -0.66 . . . . 7.06 110.844 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.405 ' HB3' ' HB2' ' B' ' 14' ' ' MET . 15.4 m -119.57 101.02 7.63 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.942 -0.572 . . . . 9.21 110.21 179.635 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 88' ' ' ARG . 0.1 OUTLIER -91.13 118.13 30.18 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.069 -0.514 . . . . 9.55 111.248 -179.024 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 17.5 t -97.53 107.19 37.76 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 116.108 -0.496 . . . . 12.15 109.783 179.519 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -75.67 111.65 3.34 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.726 2.284 . . . . 12.82 111.417 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -128.97 74.2 1.56 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.981 0.419 . . . . 14.19 110.516 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.1 p . . . . . 0 C--O 1.247 0.951 0 CA-C-N 116.006 -0.543 . . . . 15.67 110.593 179.952 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 14' ' ' MET . . . . . 0.405 ' HB2' ' HB3' ' A' ' 87' ' ' SER . 42.9 ttp . . . . . 0 N--CA 1.485 1.325 0 CA-C-O 120.829 0.347 . . . . 11.23 111.491 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 22.3 mmt -94.54 29.89 2.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.549 -0.296 . . . . 13.11 111.291 -179.315 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 11.3 m 64.54 104.65 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.236 0 O-C-N 123.681 0.613 . . . . 11.45 111.429 -179.148 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.8 109.96 1.6 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.811 -0.631 . . . . 8.27 111.339 -179.466 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -86.74 160.31 18.86 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.035 -0.53 . . . . 9.28 110.191 179.642 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -52.06 -44.17 64.16 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 113.087 0.773 . . . . 8.44 113.087 -178.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 3.9 pm0 -64.85 -37.01 86.19 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.904 0.383 . . . . 9.58 111.423 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -71.15 -38.42 72.21 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.141 -0.481 . . . . 8.61 110.345 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 79.3 mt -67.55 -45.68 84.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.923 -0.581 . . . . 4.87 109.531 178.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.65 -36.24 78.21 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.847 -0.615 . . . . 4.42 110.681 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.15 -42.61 95.25 Favored 'General case' 0 CA--C 1.522 -0.134 0 CA-C-N 116.028 -0.533 . . . . 5.79 110.515 179.385 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 29.5 mt -69.61 -33.33 72.51 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.323 -0.399 . . . . 4.52 110.518 179.094 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 98.4 mt -64.68 -52.24 57.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.912 -0.585 . . . . 4.37 110.313 179.36 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 30.6 m -66.81 -33.52 63.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-O 120.758 0.313 . . . . 6.25 110.648 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -63.64 -43.1 97.81 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.279 -0.637 . . . . 6.91 109.279 178.463 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -60.96 -47.45 86.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.495 -0.775 . . . . 7.07 110.448 179.574 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 17.5 m-30 -61.89 -39.19 91.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.045 -0.525 . . . . 8.36 110.159 179.308 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' SER . . . . . 0.532 ' HA ' HG22 ' B' ' 34' ' ' VAL . 30.9 m -64.87 -36.95 86.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.032 -0.531 . . . . 9.5 110.026 178.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 32' ' ' SER . . . . . 0.473 ' HA ' ' HG2' ' B' ' 35' ' ' GLU . 14.4 m -65.33 -27.81 68.86 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.167 0.508 . . . . 9.77 110.244 179.243 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.853 HG23 ' HB2' ' B' ' 38' ' ' GLU . 97.4 mt -78.59 -42.13 25.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.724 -0.671 . . . . 11.09 110.789 179.791 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 34' ' ' VAL . . . . . 0.532 HG22 ' HA ' ' B' ' 31' ' ' SER . 31.1 m -77.91 -25.02 14.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 113.147 0.795 . . . . 12.38 113.147 -178.832 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.473 ' HG2' ' HA ' ' B' ' 32' ' ' SER . 8.9 pt-20 -67.18 -49.0 66.25 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.176 0.436 . . . . 13.19 112.176 -179.606 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 20.4 pttm -96.09 4.22 52.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.833 0.349 . . . . 13.7 111.892 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 23.3 ttmm 61.93 82.9 0.16 Allowed 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 113.888 1.07 . . . . 15.86 113.888 178.599 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' GLU . . . . . 0.853 ' HB2' HG23 ' B' ' 33' ' ' ILE . 39.7 mt-10 -111.15 5.96 20.42 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.378 0.609 . . . . 12.56 109.495 178.159 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 10.7 tp -140.97 153.13 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.567 -0.742 . . . . 13.67 110.09 -179.026 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 7.0 p -62.38 159.39 15.45 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.845 0.355 . . . . 15.14 111.115 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 24.1 mp0 -57.38 -34.03 68.43 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.138 -0.483 . . . . 16.66 112.101 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' ASP . . . . . 0.415 ' HA ' ' CE ' ' C' ' 31' ' ' LYS . 2.5 p-10 -75.55 -37.69 59.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.685 0.278 . . . . 15.52 110.89 179.479 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.36 -35.37 82.05 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.908 -0.663 . . . . 13.17 111.55 179.652 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.57 -34.14 77.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.746 0.307 . . . . 12.42 111.007 179.583 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.11 -49.31 72.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 13.38 109.943 179.725 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 7.4 m -61.76 -39.76 92.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.599 -0.728 . . . . 11.72 110.67 179.268 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 41.5 mt -66.92 -38.99 87.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.417 -0.356 . . . . 9.64 110.838 179.584 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -60.02 -54.34 47.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 11.12 110.854 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' VAL . . . . . 0.587 HG21 HG21 ' C' ' 91' ' ' THR . 10.0 p -65.83 -32.96 60.46 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 CA-C-N 116.327 -0.397 . . . . 10.04 111.295 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.95 -39.79 93.34 Favored 'General case' 0 N--CA 1.456 -0.128 0 N-CA-C 109.675 -0.491 . . . . 8.26 109.675 178.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 64.3 mtm -63.6 -38.48 91.3 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.793 -0.64 . . . . 7.93 109.803 179.009 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.06 -41.35 98.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.745 -0.661 . . . . 9.48 110.229 179.304 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 53' ' ' CYS . . . . . 0.547 ' HB2' ' HB2' ' A' ' 50' ' ' ALA . 33.7 m -59.68 -44.72 93.5 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.635 -0.711 . . . . 8.11 110.142 179.42 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 50.6 mt -67.07 -36.89 78.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.829 -0.623 . . . . 6.13 110.268 179.398 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 55' ' ' SER . . . . . 0.448 ' HA ' ' CE1' ' B' ' 60' ' ' PHE . 29.9 m -61.25 -58.0 10.09 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 115.799 -0.637 . . . . 7.39 112.338 -179.485 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.74 -26.18 66.01 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.339 0.496 . . . . 8.81 112.339 -178.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.42 -41.6 93.39 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.797 0.332 . . . . 7.38 110.874 179.259 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -86.5 -23.0 26.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.894 0.378 . . . . 8.09 111.331 179.38 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.52 26.58 7.6 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.955 -0.64 . . . . 9.43 113.475 179.169 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 60' ' ' PHE . . . . . 0.448 ' CE1' ' HA ' ' B' ' 55' ' ' SER . 21.2 p90 -128.01 179.63 5.47 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 117.042 0.421 . . . . 8.7 111.38 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 61' ' ' GLU . . . . . 0.485 ' HG3' ' H ' ' B' ' 63' ' ' GLU . 8.5 tp10 -125.34 152.64 44.47 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.221 -0.445 . . . . 11.16 109.801 179.668 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 18.1 ttp-105 -62.8 -26.01 68.52 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.219 0.533 . . . . 10.74 111.249 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 63' ' ' GLU . . . . . 0.485 ' H ' ' HG3' ' B' ' 61' ' ' GLU . 34.0 mm-40 -79.27 5.23 12.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.946 -0.57 . . . . 11.8 112.013 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -110.31 2.52 19.18 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.867 0.365 . . . . 10.53 111.009 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 11.3 p -58.31 -41.78 82.09 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 CA-C-N 116.202 -0.454 . . . . 9.11 111.84 -179.314 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.4 -34.9 79.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.053 0.454 . . . . 10.71 110.683 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.16 -37.11 72.12 Favored Glycine 0 N--CA 1.449 -0.463 0 CA-C-N 115.811 -0.631 . . . . 11.05 111.938 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 75.4 mt -69.45 -52.29 34.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.832 0.349 . . . . 9.74 110.794 179.54 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 83.2 mt -61.83 -32.98 73.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.042 -0.526 . . . . 9.17 111.014 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -65.92 -22.93 70.76 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 121.094 -0.574 . . . . 11.56 112.376 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -96.72 -53.96 3.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.847 0.356 . . . . 12.46 111.187 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 46.8 m -61.55 166.27 4.27 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.781 -0.645 . . . . 9.82 112.707 -178.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -69.98 -23.67 63.19 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.734 -0.666 . . . . 10.24 111.351 -179.694 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -78.05 81.08 4.46 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.809 -0.632 . . . . 7.68 111.078 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -135.85 139.34 43.34 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.995 -0.548 . . . . 11.56 109.817 179.129 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 80.05 -1.4 80.03 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.633 -0.794 . . . . 8.65 112.319 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 23.7 mm-40 -133.26 134.57 44.12 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.505 -0.554 . . . . 7.58 109.505 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 70.7 m80 -89.88 172.25 9.02 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.81 -0.441 . . . . 7.9 109.81 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 23.8 tp -57.98 -39.65 78.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.974 0.416 . . . . 4.14 110.915 179.624 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.29 -37.12 82.89 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.112 -0.494 . . . . 5.79 111.344 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -63.84 -46.79 83.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.614 -0.721 . . . . 6.75 111.06 -179.439 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 77.2 mt -70.48 -36.82 67.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.649 -0.705 . . . . 4.76 111.845 -179.375 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 3.5 mp -67.05 -39.12 86.86 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.477 0.547 . . . . 5.48 112.477 -179.418 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -79.72 -5.73 55.81 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.601 0.593 . . . . 7.63 112.601 -179.042 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.9 p -101.97 -49.1 4.04 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.982 0.42 . . . . 6.84 110.427 178.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -87.02 61.0 6.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.358 0.599 . . . . 6.55 110.544 179.445 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 87' ' ' SER . . . . . 0.688 ' HG ' ' N ' ' A' ' 14' ' ' MET . 5.4 m -89.0 142.42 27.65 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.697 -0.683 . . . . 8.4 111.154 -179.555 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 37.4 mmm-85 -103.93 148.93 25.59 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.08 -0.509 . . . . 10.35 109.711 179.571 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 89' ' ' VAL . . . . . 0.403 ' HA ' ' HD3' ' B' ' 90' ' ' PRO . 21.4 t -98.79 108.23 47.58 Favored Pre-proline 0 C--N 1.323 -0.564 0 N-CA-C 109.701 -0.481 . . . . 11.96 109.701 179.081 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 90' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' B' ' 89' ' ' VAL . 12.6 Cg_exo -70.63 110.14 2.66 Favored 'Trans proline' 0 N--CA 1.464 -0.264 0 C-N-CA 122.974 2.449 . . . . 13.1 111.769 -179.629 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -118.74 109.57 16.24 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.963 -0.562 . . . . 14.34 110.485 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 17.3 m . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.295 -0.859 . . . . 16.55 110.262 -179.724 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 40.5 t . . . . . 0 C--O 1.232 0.136 0 CA-C-O 121.289 0.566 . . . . 9.95 109.648 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 21' ' ' HIS . . . . . . . . . . . . . 27.7 t60 -80.16 115.63 19.83 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.523 -0.762 . . . . 9.34 110.456 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 22' ' ' LEU . . . . . . . . . . . . . 95.1 mt -125.08 145.22 50.03 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.871 0.367 . . . . 6.88 111.827 -179.504 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 23' ' ' THR . . . . . 0.706 ' HB ' HG23 ' C' ' 89' ' ' THR . 0.8 OUTLIER -101.45 141.65 34.0 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.957 -0.757 . . . . 8.91 108.957 178.836 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 24' ' ' LEU . . . . . 0.466 HD23 ' HB ' ' C' ' 90' ' ' ILE . 49.7 mt -124.82 117.48 24.24 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 110.316 -0.253 . . . . 8.66 110.316 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 25' ' ' LYS . . . . . 0.596 ' HA ' ' O ' ' C' ' 32' ' ' PHE . 13.6 ptmt -130.72 138.93 50.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.985 0.421 . . . . 13.38 112.083 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 26' ' ' LYS . . . . . 0.498 ' HD3' ' O ' ' C' ' 30' ' ' PRO . 49.6 tttt -94.08 148.24 22.36 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.973 -0.558 . . . . 14.09 109.555 179.112 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 27' ' ' ILE . . . . . 0.545 HD11 ' HG3' ' C' ' 93' ' ' MET . 12.2 pt -92.16 -45.5 14.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 112.392 0.515 . . . . 14.88 112.392 -179.589 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -79.51 144.68 33.74 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.632 -0.258 . . . . 15.23 111.211 -179.361 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.11 139.98 82.65 Favored Pre-proline 0 C--N 1.326 -0.449 0 N-CA-C 110.014 -0.365 . . . . 18.5 110.014 179.324 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 30' ' ' PRO . . . . . 0.498 ' O ' ' HD3' ' C' ' 26' ' ' LYS . 74.0 Cg_endo -76.56 144.81 80.15 Favored 'Cis proline' 0 C--N 1.344 0.332 0 C-N-CA 123.476 -1.468 . . . . 17.48 111.45 -0.477 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 31' ' ' LYS . . . . . 0.477 ' HE2' ' O ' ' C' ' 27' ' ' ILE . 83.7 mttt -97.68 150.59 21.02 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.07 -0.514 . . . . 17.53 110.916 -179.597 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 32' ' ' PHE . . . . . 0.596 ' O ' ' HA ' ' C' ' 25' ' ' LYS . 47.8 p90 -138.77 151.99 47.55 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.598 -0.728 . . . . 13.5 109.088 178.338 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 33' ' ' SER . . . . . 0.442 ' HA ' ' O ' ' C' ' 24' ' ' LEU . 49.7 m -141.7 96.47 2.98 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.075 0.464 . . . . 12.36 110.084 179.576 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 39.3 pt -114.1 164.38 10.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.892 -0.595 . . . . 10.72 111.051 -179.416 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 35' ' ' GLU . . . . . 0.643 ' HG2' HG23 ' C' ' 23' ' ' THR . 6.5 mt-10 -133.26 142.5 48.55 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.257 -0.429 . . . . 10.54 110.437 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 36' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -152.6 156.8 39.99 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.793 0.33 . . . . 9.85 110.707 179.39 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -104.15 120.63 41.53 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.966 -0.561 . . . . 9.77 110.179 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 38' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -113.14 -179.47 3.65 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.578 -0.527 . . . . 9.82 109.578 179.566 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 39' ' ' SER . . . . . 0.43 ' O ' ' HB2' ' C' ' 42' ' ' ASP . 0.1 OUTLIER -108.72 158.17 34.78 Favored Pre-proline 0 C--N 1.321 -0.646 0 N-CA-C 109.814 -0.439 . . . . 11.97 109.814 179.636 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -66.12 -15.7 49.42 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.408 2.072 . . . . 12.89 111.571 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -90.28 -4.13 57.35 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.56 -0.746 . . . . 14.42 110.813 179.446 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 42' ' ' ASP . . . . . 0.485 ' O ' ' HG ' ' C' ' 78' ' ' LEU . 2.0 m-20 -78.99 150.06 32.07 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 109.543 -0.54 . . . . 11.77 109.543 179.404 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 58.0 p -111.09 171.07 7.69 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 110.044 -0.354 . . . . 11.4 110.044 179.451 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 44' ' ' ILE . . . . . 0.561 HG23 HD12 ' C' ' 65' ' ' LEU . 41.5 mm -60.18 -30.63 46.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.313 0.578 . . . . 7.86 110.085 178.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.31 -36.65 84.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.614 -0.721 . . . . 12.88 110.554 179.644 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 46' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -64.53 -37.98 89.43 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.294 -0.412 . . . . 12.18 110.917 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 63.8 mt -63.49 -41.74 93.74 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 N-CA-C 109.188 -0.671 . . . . 8.04 109.188 178.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -63.04 -45.6 91.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.374 -0.83 . . . . 10.51 110.211 179.242 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -59.86 -39.86 86.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.876 -0.602 . . . . 13.94 110.134 179.106 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 50' ' ' HIS . . . . . 0.49 ' O ' ' HG2' ' C' ' 54' ' ' GLU . 83.1 t60 -65.97 -38.15 87.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.775 -0.648 . . . . 11.16 110.861 179.802 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 43.1 mt -62.59 -33.87 75.84 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.446 -0.343 . . . . 12.37 111.164 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 52' ' ' ILE . . . . . . . . . . . . . 78.8 mt -64.87 -44.52 96.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.32 -0.4 . . . . 15.35 109.938 179.111 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.88 -24.13 67.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 15.02 111.589 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 54' ' ' GLU . . . . . 0.49 ' HG2' ' O ' ' C' ' 50' ' ' HIS . 4.8 mm-40 -87.43 7.49 28.91 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 110.099 -0.334 . . . . 14.38 110.099 179.712 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 62.87 28.17 16.28 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.718 -0.674 . . . . 18.85 111.427 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -102.94 -6.47 22.39 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.115 0.413 . . . . 14.47 112.115 -179.334 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -147.9 162.11 39.95 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.812 0.339 . . . . 15.28 111.698 -179.406 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 58' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -113.26 -42.37 3.52 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.859 -0.61 . . . . 17.75 109.63 179.418 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 59' ' ' HIS . . . . . 0.516 ' HB2' ' HG3' ' C' ' 62' ' ' GLU . 94.7 m-70 -127.35 171.55 11.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.147 -0.479 . . . . 19.22 110.985 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 37.5 mm -79.72 -38.72 19.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.06 -0.518 . . . . 13.8 111.593 -179.497 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 1.9 p -66.14 -32.35 73.75 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.237 0.458 . . . . 14.67 112.237 -179.025 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 62' ' ' GLU . . . . . 0.516 ' HG3' ' HB2' ' C' ' 59' ' ' HIS . 69.0 mt-10 -60.22 -30.13 69.19 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.333 -0.394 . . . . 16.71 111.364 -179.543 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 63' ' ' ILE . . . . . 0.404 HG22 ' HG ' ' C' ' 65' ' ' LEU . 24.1 mt -84.24 97.8 5.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 112.362 0.504 . . . . 10.79 112.362 -178.154 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 64' ' ' LYS . . . . . 0.513 ' HB3' ' HB3' ' C' ' 93' ' ' MET . 17.6 ttmt -98.23 89.08 4.36 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.502 -0.925 . . . . 9.73 108.502 178.257 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 65' ' ' LEU . . . . . 0.561 HD12 HG23 ' C' ' 44' ' ' ILE . 81.6 mt -75.71 134.91 40.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 5.89 111.511 -179.045 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 66' ' ' LEU . . . . . 0.51 HD22 HG11 ' A' ' 49' ' ' VAL . 2.6 mt -131.57 150.62 52.08 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.215 -0.448 . . . . 7.57 111.364 -179.25 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 65.5 tp -137.16 101.38 4.53 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.794 -0.639 . . . . 7.44 109.472 178.626 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 20.7 mmmt 60.55 24.78 14.45 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 115.97 -0.559 . . . . 12.88 111.989 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 69' ' ' GLY . . . . . 0.439 ' HA3' ' HA ' ' B' ' 53' ' ' CYS . . . 111.8 -29.65 8.37 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.986 -0.626 . . . . 8.93 112.934 179.451 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 70' ' ' LYS . . . . . 0.762 ' HE3' ' HA ' ' C' ' 70' ' ' LYS . 0.1 OUTLIER -77.31 132.52 38.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 122.943 -0.151 . . . . 9.44 110.962 -179.49 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 71' ' ' VAL . . . . . . . . . . . . . 42.0 t -81.1 125.51 39.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.209 0.528 . . . . 7.05 109.946 179.216 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 48.4 mt -84.0 104.47 14.1 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.138 0.494 . . . . 5.9 111.046 -179.264 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 73' ' ' HIS . . . . . . . . . . . . . 24.0 m-70 -72.38 150.97 42.96 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.73 -0.668 . . . . 8.93 110.56 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -54.5 -35.44 63.14 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 113.019 0.748 . . . . 9.91 113.019 -178.605 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 75' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -84.19 23.11 1.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 113.041 0.756 . . . . 13.36 113.041 -178.5 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 76' ' ' LEU . . . . . . . . . . . . . 23.9 tp -105.1 132.54 51.2 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 110.132 -0.321 . . . . 9.58 110.132 179.337 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -88.71 151.49 22.39 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.233 -0.439 . . . . 14.32 109.966 179.596 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 78' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' C' ' 42' ' ' ASP . 13.0 mt -64.83 -17.77 64.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.516 -0.311 . . . . 9.53 111.77 -179.449 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 79' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.73 -17.96 61.05 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.022 0.439 . . . . 12.75 111.018 179.78 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 80' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -96.02 -3.94 44.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.164 0.507 . . . . 12.44 110.218 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 81' ' ' LEU . . . . . 0.467 ' HG ' ' HA ' ' C' ' 78' ' ' LEU . 19.2 mt -71.19 129.37 38.74 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.026 -0.533 . . . . 10.15 110.911 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 82' ' ' LYS . . . . . . . . . . . . . 39.1 mmtm -84.95 59.02 5.35 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.591 -0.522 . . . . 12.59 109.591 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 12.0 m -94.37 141.56 14.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.797 -0.638 . . . . 11.5 111.576 -179.249 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 84' ' ' THR . . . . . 0.5 ' HB ' ' HD2' ' C' ' 85' ' ' PRO . 69.5 p -135.76 174.36 4.63 Favored Pre-proline 0 C--N 1.322 -0.628 0 N-CA-C 108.364 -0.976 . . . . 13.96 108.364 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 85' ' ' PRO . . . . . 0.5 ' HD2' ' HB ' ' C' ' 84' ' ' THR . 43.0 Cg_exo -60.03 -23.91 74.78 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.107 1.871 . . . . 14.91 110.594 178.059 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -83.26 -55.69 4.2 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.506 -0.77 . . . . 15.11 109.905 178.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 87' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -106.75 93.86 4.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.461 0.648 . . . . 12.35 111.834 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 88' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.66 8.07 8.24 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.678 -0.692 . . . . 10.32 109.702 179.298 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 89' ' ' THR . . . . . 0.706 HG23 ' HB ' ' C' ' 23' ' ' THR . 5.4 m -100.36 128.02 46.53 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.486 -0.779 . . . . 9.82 111.411 -178.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 90' ' ' ILE . . . . . 0.466 ' HB ' HD23 ' C' ' 24' ' ' LEU . 39.2 mm -99.08 138.25 24.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.85 -0.613 . . . . 6.59 109.435 179.536 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 91' ' ' THR . . . . . 0.587 HG21 HG21 ' B' ' 49' ' ' VAL . 1.9 m -86.82 122.42 30.67 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.836 0.351 . . . . 8.75 110.096 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 92' ' ' VAL . . . . . . . . . . . . . 18.6 t -106.3 101.83 13.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.434 -0.348 . . . . 9.58 111.038 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 93' ' ' MET . . . . . 0.545 ' HG3' HD11 ' C' ' 27' ' ' ILE . 13.3 ttt -96.0 125.87 40.84 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.42 -0.956 . . . . 10.9 108.42 178.146 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 94' ' ' ILE . . . . . 0.41 HD12 ' HD2' ' C' ' 26' ' ' LYS . 66.9 mt -113.08 123.23 68.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 120.873 0.368 . . . . 13.44 111.124 -179.285 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 95' ' ' LYS . . . . . 0.422 ' HA ' ' HD3' ' C' ' 96' ' ' PRO . 0.8 OUTLIER -144.13 136.82 13.56 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-N 115.801 -0.636 . . . . 14.6 109.347 179.043 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 96' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' C' ' 95' ' ' LYS . 50.4 Cg_exo -55.65 157.28 15.97 Favored 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 123.163 2.575 . . . . 17.56 112.862 -179.612 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 77.03 -87.75 0.0 OUTLIER Pre-proline 0 C--O 1.25 1.109 0 CA-C-O 118.09 -0.957 . . . . 18.17 111.933 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 98' ' ' PRO . . . . . . . . . . . . . . . . . . . . 1 C--N 1.249 -4.694 0 O-C-N 122.992 0.996 . . . . 15.75 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.734 ' N ' ' HG ' ' B' ' 87' ' ' SER . 2.1 tmt? . . . . . 0 N--CA 1.48 1.048 0 CA-C-O 120.601 0.239 . . . . 10.47 110.464 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 18.0 mmt -70.51 -84.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.356 -0.384 . . . . 11.61 110.906 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.0 m -161.97 -11.27 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.363 -0.381 . . . . 10.77 112.008 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 60.8 74.3 0.45 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 121.462 0.649 . . . . 8.07 109.983 -178.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.5 m -72.38 159.1 34.56 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.299 -0.864 . . . . 10.11 111.7 -178.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.5 mtmm -54.33 -44.89 72.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.848 -0.615 . . . . 10.66 111.538 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -65.46 -34.53 78.5 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.351 -0.386 . . . . 11.43 111.468 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -68.54 -45.87 71.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.059 0.457 . . . . 8.91 110.062 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 75.9 mt -67.96 -43.75 85.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.62 -0.718 . . . . 6.35 110.603 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.85 -36.99 78.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 7.12 110.733 179.556 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.39 -40.17 89.94 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.994 -0.548 . . . . 7.6 110.499 179.426 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.602 HD12 HD21 ' B' ' 83' ' ' LEU . 11.2 mt -71.38 -36.57 71.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.938 0.399 . . . . 5.59 110.459 179.216 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 97.3 mt -61.71 -52.6 58.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.792 -0.64 . . . . 4.33 110.443 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 31.4 m -67.82 -29.64 45.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.443 -0.344 . . . . 6.96 110.791 179.499 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 45.6 t-20 -63.29 -46.82 85.01 Favored 'General case' 0 CA--C 1.519 -0.25 0 N-CA-C 108.717 -0.845 . . . . 7.34 108.717 178.277 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.508 ' O ' HG13 ' A' ' 33' ' ' ILE . 19.1 t80 -60.28 -45.81 92.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.884 -0.598 . . . . 5.51 110.381 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.0 m-30 -58.93 -46.35 88.2 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.151 -0.477 . . . . 6.35 110.562 179.318 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.9 m -63.2 -42.62 99.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.922 -0.581 . . . . 8.01 110.356 179.249 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.546 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 49.0 m -60.64 -37.17 80.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.313 -0.403 . . . . 8.27 111.192 179.473 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.508 HG13 ' O ' ' A' ' 29' ' ' TYR . 95.3 mt -64.71 -43.28 96.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.492 -0.322 . . . . 8.37 111.1 179.717 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 20.9 m -76.64 -23.71 15.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.723 0.296 . . . . 9.63 111.717 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -66.13 -40.83 90.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.217 0.532 . . . . 10.98 110.496 179.08 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.546 ' HG2' ' O ' ' A' ' 32' ' ' SER . 35.6 pttt -93.42 -4.89 50.54 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.768 -0.651 . . . . 11.09 110.125 179.46 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.6 tttm 58.14 48.85 12.27 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.117 -0.947 . . . . 11.72 111.258 -179.211 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.497 ' HB2' ' HG3' ' A' ' 36' ' ' LYS . 1.0 OUTLIER -98.12 27.78 4.4 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.898 -0.592 . . . . 9.58 110.816 -179.799 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 17.8 tt -139.79 151.97 22.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.75 -0.659 . . . . 9.5 110.184 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.1 m -69.47 154.57 41.81 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.317 -0.402 . . . . 9.96 110.853 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.38 -41.34 69.09 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.045 -0.525 . . . . 11.9 111.658 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -65.22 -43.44 91.48 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.13 -0.486 . . . . 10.3 111.091 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.76 -31.41 70.31 Favored Glycine 0 C--N 1.331 0.287 0 CA-C-N 116.009 -0.541 . . . . 8.47 112.318 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.6 -39.36 93.52 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.82 -0.437 . . . . 8.42 109.82 179.236 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -65.15 -35.62 81.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.819 -0.628 . . . . 9.73 110.031 179.417 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.517 ' HB2' ' HB2' ' B' ' 57' ' ' ALA . 1.2 m -65.57 -51.01 62.98 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 115.933 -0.576 . . . . 7.86 110.45 179.346 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 32.8 mt -63.27 -33.67 76.01 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.412 -0.358 . . . . 6.77 110.258 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -61.54 -43.39 98.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.634 -0.712 . . . . 9.39 111.11 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.2 p -81.87 -37.13 14.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 C-N-CA 121.01 -0.276 . . . . 9.6 111.616 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.32 -40.86 95.78 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.688 0.28 . . . . 7.62 110.933 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 44.4 ttm -58.82 -36.55 74.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 8.19 110.88 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -60.08 -54.8 41.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.854 -0.612 . . . . 11.12 110.745 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.475 ' HB2' ' HB2' ' B' ' 50' ' ' ALA . 4.9 m -63.4 -36.98 85.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.007 -0.542 . . . . 9.77 111.983 -179.618 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.434 HD11 HD11 ' B' ' 54' ' ' ILE . 86.9 mt -64.88 -43.64 96.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.819 0.342 . . . . 9.06 111.145 -179.725 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.421 ' HB3' ' O ' ' A' ' 60' ' ' PHE . 37.6 m -54.09 -58.72 6.28 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.0 -0.545 . . . . 10.96 112.442 -179.074 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.412 ' HG2' ' H ' ' A' ' 56' ' ' GLU . 3.7 pt-20 -66.01 -29.57 69.97 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.788 0.662 . . . . 12.89 112.788 -178.84 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.4 -42.56 96.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.887 0.375 . . . . 11.68 111.372 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.418 ' HB2' ' CD1' ' A' ' 60' ' ' PHE . 89.2 m-85 -91.26 -3.21 57.11 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.306 -0.407 . . . . 11.93 111.509 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 74.73 45.95 20.07 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.834 -0.698 . . . . 13.13 113.094 179.355 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.421 ' O ' ' HB3' ' A' ' 55' ' ' SER . 19.5 p90 -144.71 146.62 32.3 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.996 -0.372 . . . . 12.01 109.996 179.114 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -92.29 146.43 23.71 Favored 'General case' 0 C--N 1.317 -0.829 0 C-N-CA 120.865 -0.334 . . . . 14.85 110.378 179.53 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 45.1 ttp180 -55.6 -40.58 72.26 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.168 0.509 . . . . 11.66 110.36 179.485 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 54.6 mp0 -68.44 -12.99 61.98 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.636 -0.711 . . . . 13.0 112.335 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -97.01 -2.05 44.24 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.286 0.476 . . . . 12.82 112.286 -178.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.5 p -56.43 -39.96 64.46 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 N-CA-C 112.485 0.55 . . . . 10.88 112.485 -179.112 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.89 -44.04 97.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.332 -0.394 . . . . 12.04 111.123 -179.675 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.58 -43.69 75.49 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.913 -0.66 . . . . 12.77 111.53 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 97.3 mt -59.8 -50.32 80.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 120.422 0.153 . . . . 11.54 110.95 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 48.7 mt -57.66 -46.93 83.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.736 0.303 . . . . 10.42 111.195 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -61.52 -31.54 78.0 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 121.156 -0.545 . . . . 12.46 113.746 -179.146 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.51 6.11 48.6 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.514 0.561 . . . . 14.12 112.514 -179.402 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 50.4 m -110.11 -174.25 2.44 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.99 0.424 . . . . 10.83 111.825 -179.546 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -72.21 -40.35 67.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.666 -0.697 . . . . 10.68 111.061 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -89.01 92.77 9.36 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.898 -0.592 . . . . 8.37 111.216 -179.166 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -133.82 127.03 31.81 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.13 -0.486 . . . . 12.83 111.22 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 89.74 1.78 76.61 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.793 -0.718 . . . . 9.82 112.937 179.369 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -130.37 162.9 28.06 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.648 -0.501 . . . . 8.93 109.648 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -112.56 168.6 9.52 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.943 -0.392 . . . . 8.72 109.943 179.709 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.553 HD11 HD11 ' B' ' 79' ' ' LEU . 26.1 tp -62.95 -31.54 72.66 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.282 -0.417 . . . . 4.7 111.323 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.443 ' HB2' ' CE1' ' A' ' 29' ' ' TYR . . . -66.57 -59.93 3.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 5.96 112.099 -179.31 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -56.99 -43.24 81.52 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.614 0.598 . . . . 7.82 112.614 -179.228 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 83.5 mt -64.38 -50.93 74.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.718 0.294 . . . . 5.79 111.109 179.634 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.776 HD21 HD12 ' B' ' 25' ' ' LEU . 4.5 tp -60.96 -39.34 89.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 5.97 111.865 -179.307 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -71.26 -27.74 63.66 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.12 0.415 . . . . 9.2 112.12 -179.657 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 54.5 m -68.39 -26.39 65.54 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.1 0.476 . . . . 7.98 110.732 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -76.4 135.78 39.46 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.948 -0.569 . . . . 7.06 110.939 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.475 ' HA ' ' HB2' ' B' ' 14' ' ' MET . 37.2 m -109.45 120.45 42.55 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.773 -0.649 . . . . 9.21 109.608 179.233 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.48 ' HA ' ' HE ' ' A' ' 88' ' ' ARG . 2.8 mmp_? -122.42 93.81 4.09 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.027 0.442 . . . . 9.55 110.825 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.49 ' HA ' ' HD3' ' A' ' 90' ' ' PRO . 3.5 t -85.72 129.71 53.67 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 115.806 -0.634 . . . . 12.15 109.956 -179.7 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.595 ' HG3' ' HD3' ' B' ' 75' ' ' LYS . 6.1 Cg_exo -78.68 105.79 2.01 Favored 'Trans proline' 0 N--CA 1.461 -0.428 0 C-N-CA 122.987 2.458 . . . . 12.82 111.922 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -89.52 43.72 1.16 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.503 0.668 . . . . 14.19 109.975 179.471 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 C--O 1.247 0.965 0 CA-C-N 115.284 -0.871 . . . . 15.67 110.038 -179.776 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 14' ' ' MET . . . . . 0.475 ' HB2' ' HA ' ' A' ' 87' ' ' SER . 60.5 ttp . . . . . 0 N--CA 1.48 1.065 0 CA-C-O 120.816 0.341 . . . . 11.23 110.63 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 36.1 ttm -95.52 41.34 1.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.028 0.442 . . . . 13.11 110.992 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 6.9 m 63.52 86.68 0.12 Allowed 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 115.465 -0.789 . . . . 11.45 111.495 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.72 115.5 4.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.586 -0.734 . . . . 8.27 111.623 -179.462 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 3.2 m -82.27 170.33 15.51 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.899 -0.591 . . . . 9.28 110.537 179.262 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 49.7 mttp -54.34 -48.99 70.79 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.415 0.524 . . . . 8.44 112.415 -179.404 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 6.0 pm0 -64.28 -36.76 85.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.716 0.293 . . . . 9.58 111.724 -179.467 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -66.47 -41.76 88.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.002 0.43 . . . . 8.61 110.24 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 96.4 mt -70.12 -42.52 79.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.914 -0.584 . . . . 4.87 109.733 179.078 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.54 ' HA ' HD12 ' B' ' 26' ' ' ILE . . . -61.43 -32.19 72.14 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.883 -0.599 . . . . 4.42 110.717 179.54 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.09 -41.5 92.63 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.138 -0.483 . . . . 5.79 110.376 179.178 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.776 HD12 HD21 ' A' ' 83' ' ' LEU . 17.5 mt -72.15 -31.93 66.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.164 -0.471 . . . . 4.52 110.434 179.058 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.54 HD12 ' HA ' ' B' ' 23' ' ' ALA . 92.6 mt -65.98 -51.06 65.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.865 -0.607 . . . . 4.37 110.424 179.283 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 34.5 m -67.21 -32.79 59.18 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-N 116.409 -0.36 . . . . 6.25 110.554 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -65.36 -43.89 89.36 Favored 'General case' 0 CA--C 1.52 -0.181 0 N-CA-C 109.209 -0.663 . . . . 6.91 109.209 178.28 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' TYR . . . . . 0.401 ' O ' HG13 ' B' ' 33' ' ' ILE . 59.2 t80 -60.23 -47.63 85.14 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.471 -0.786 . . . . 7.07 110.586 179.523 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 18.6 m-30 -59.81 -42.99 94.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 8.36 110.603 179.508 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' SER . . . . . 0.468 ' HA ' HG22 ' B' ' 34' ' ' VAL . 28.9 m -64.07 -37.41 87.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.001 -0.545 . . . . 9.5 110.83 179.267 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 19.8 m -65.29 -20.03 66.23 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 121.198 0.523 . . . . 9.77 111.19 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.653 HG23 ' HB3' ' B' ' 38' ' ' GLU . 71.3 mt -86.51 -41.07 14.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.965 0.412 . . . . 11.09 110.402 179.457 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 34' ' ' VAL . . . . . 0.468 HG22 ' HA ' ' B' ' 31' ' ' SER . 31.9 m -77.03 -35.37 23.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 113.214 0.82 . . . . 12.38 113.214 -178.8 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -57.46 -40.49 78.63 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 112.609 0.596 . . . . 13.19 112.609 -179.16 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -101.24 6.08 42.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.602 0.239 . . . . 13.7 111.46 -179.469 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 21.3 ttmm 54.82 66.26 1.28 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.538 0.685 . . . . 15.86 111.734 -179.598 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' GLU . . . . . 0.653 ' HB3' HG23 ' B' ' 33' ' ' ILE . 31.3 tt0 -97.82 -0.75 44.6 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.577 -0.738 . . . . 12.56 109.732 179.619 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 20.7 tt -133.15 159.92 42.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.386 -0.824 . . . . 13.67 109.852 -179.279 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 29.8 p -67.76 160.62 27.81 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.781 0.324 . . . . 15.14 110.653 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' GLU . . . . . 0.453 ' HB3' ' NZ ' ' C' ' 31' ' ' LYS . 9.4 mp0 -58.49 -39.66 80.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.393 -0.367 . . . . 16.66 110.947 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.73 -42.78 99.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 15.52 110.192 179.455 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.77 -40.54 64.78 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.688 -0.768 . . . . 13.17 111.487 179.378 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.75 -43.82 98.1 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.784 0.326 . . . . 12.42 110.776 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' ASP . . . . . 0.859 ' HB3' ' HB ' ' C' ' 27' ' ' ILE . 0.7 OUTLIER -61.23 -42.3 98.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.086 -0.506 . . . . 13.38 110.274 179.321 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 9.1 m -66.25 -42.6 88.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.829 -0.623 . . . . 11.72 110.834 179.463 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 24.0 mt -65.27 -33.94 77.17 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.214 -0.448 . . . . 9.64 110.875 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -58.1 -50.91 71.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.931 -0.577 . . . . 11.12 110.353 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 40.8 t -67.07 -44.25 88.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.016 -0.538 . . . . 10.04 110.818 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' ALA . . . . . 0.475 ' HB2' ' HB2' ' A' ' 53' ' ' CYS . . . -59.74 -44.15 93.93 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.101 -0.499 . . . . 8.26 111.346 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 30.4 ttm -60.64 -44.54 96.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 7.93 110.787 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.57 -42.86 98.31 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.65 -0.705 . . . . 9.48 110.279 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 3.8 t -62.05 -40.63 96.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.454 -0.794 . . . . 8.11 110.909 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' ILE . . . . . 0.434 HD11 HD11 ' A' ' 54' ' ' ILE . 97.1 mt -62.21 -35.71 70.55 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-O 121.13 0.491 . . . . 6.13 110.525 179.546 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 55' ' ' SER . . . . . 0.45 ' HA ' ' CE1' ' B' ' 60' ' ' PHE . 14.3 m -61.54 -50.13 73.89 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.64 -0.709 . . . . 7.39 111.38 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -74.55 -16.2 60.83 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.241 0.46 . . . . 8.81 112.241 -179.434 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 57' ' ' ALA . . . . . 0.517 ' HB2' ' HB2' ' A' ' 46' ' ' SER . . . -72.84 -45.23 59.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.332 -0.394 . . . . 7.38 111.215 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -88.28 -19.12 27.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 8.09 111.887 -179.288 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 93.46 43.83 3.88 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.884 -0.674 . . . . 9.43 113.631 178.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 60' ' ' PHE . . . . . 0.45 ' CE1' ' HA ' ' B' ' 55' ' ' SER . 40.0 p90 -136.37 150.13 48.67 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.661 0.267 . . . . 8.7 110.364 179.135 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.93 140.84 36.53 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.96 0.409 . . . . 11.16 110.771 -179.599 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 61.0 ttt180 -63.1 -45.59 91.35 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.39 -0.823 . . . . 10.74 111.204 -179.162 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -85.74 15.53 4.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.863 0.364 . . . . 11.8 111.86 -179.614 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -115.42 6.41 14.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.026 0.441 . . . . 10.53 110.48 179.313 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 11.3 p -59.51 -27.1 36.42 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 CA-C-N 115.711 -0.677 . . . . 9.11 111.545 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.05 -43.55 95.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 10.71 110.876 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -66.94 -25.08 73.21 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 121.049 -0.596 . . . . 11.05 112.013 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 57.2 mt -79.02 -53.84 12.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 110.007 -0.368 . . . . 9.74 110.007 179.297 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 74.7 mt -61.95 -36.76 82.38 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.255 -0.429 . . . . 9.17 111.663 -179.667 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -70.98 -27.12 72.71 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.808 -0.711 . . . . 11.56 112.244 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 3.0 ttmp? -85.16 -48.19 9.39 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.762 0.315 . . . . 12.46 110.463 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 49.0 m -68.58 169.21 11.44 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.028 -0.533 . . . . 9.82 111.253 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -68.27 -17.58 64.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.369 -0.378 . . . . 10.24 111.784 -179.558 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -79.3 48.45 0.89 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.015 0.436 . . . . 7.68 111.782 -179.035 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 75' ' ' LYS . . . . . 0.595 ' HD3' ' HG3' ' A' ' 90' ' ' PRO . 0.0 OUTLIER -94.65 124.03 38.44 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.919 0.39 . . . . 11.56 110.615 179.7 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 74.99 29.15 61.2 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.976 -0.63 . . . . 8.65 111.985 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 20.7 mm-40 -140.38 161.4 37.79 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.653 -0.499 . . . . 7.58 109.653 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 5.7 m80 -127.51 165.79 19.19 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.972 -0.381 . . . . 7.9 109.972 179.503 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.553 HD11 HD11 ' A' ' 79' ' ' LEU . 18.8 tp -62.5 -32.74 73.7 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.095 -0.502 . . . . 4.14 111.655 -179.652 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.17 -59.08 3.74 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.381 0.512 . . . . 5.79 112.381 -178.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -57.76 -47.1 83.44 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 112.678 0.621 . . . . 6.75 112.678 -179.317 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 82.0 mt -60.39 -46.85 94.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.649 -0.25 . . . . 4.76 111.333 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 83' ' ' LEU . . . . . 0.602 HD21 HD12 ' A' ' 25' ' ' LEU . 1.4 tp -62.24 -40.33 95.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.707 0.289 . . . . 5.48 111.589 -179.497 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -67.74 -39.77 84.21 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.699 0.285 . . . . 7.63 111.441 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 91.8 p -68.24 -40.42 81.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.734 0.302 . . . . 6.84 111.764 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -86.23 77.44 9.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.199 0.523 . . . . 6.55 110.532 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 87' ' ' SER . . . . . 0.734 ' HG ' ' N ' ' A' ' 14' ' ' MET . 1.3 m -92.79 154.52 18.23 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.917 -0.583 . . . . 8.4 111.099 -179.389 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 15.5 mmm-85 -134.28 126.72 30.36 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.196 -0.456 . . . . 10.35 110.004 179.498 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 38.6 t -84.17 112.17 39.15 Favored Pre-proline 0 C--N 1.326 -0.416 0 N-CA-C 110.045 -0.354 . . . . 11.96 110.045 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -78.18 119.1 4.51 Favored 'Trans proline' 0 N--CA 1.46 -0.493 0 C-N-CA 122.553 2.169 . . . . 13.1 111.92 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -89.12 109.16 20.05 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.227 -0.442 . . . . 14.34 110.329 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 16.2 m . . . . . 0 C--O 1.251 1.141 0 CA-C-O 118.571 -0.728 . . . . 16.55 109.845 -179.863 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 20' ' ' VAL . . . . . 0.445 HG12 ' HG ' ' C' ' 22' ' ' LEU . 17.6 t . . . . . 0 C--O 1.232 0.165 0 CA-C-O 121.173 0.511 . . . . 9.95 110.221 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 21' ' ' HIS . . . . . . . . . . . . . 17.6 t60 -87.9 102.81 15.07 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.015 -0.539 . . . . 9.34 110.395 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 22' ' ' LEU . . . . . 0.445 ' HG ' HG12 ' C' ' 20' ' ' VAL . 95.3 mt -111.44 144.99 39.76 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.425 -0.352 . . . . 6.88 111.049 -179.642 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 23' ' ' THR . . . . . 0.434 ' HB ' ' HA ' ' C' ' 89' ' ' THR . 4.0 m -101.57 116.18 32.19 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.847 -0.615 . . . . 8.91 109.973 179.325 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 24' ' ' LEU . . . . . 0.554 ' HB2' HG13 ' C' ' 34' ' ' ILE . 50.4 mt -97.69 117.12 31.26 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 110.12 -0.326 . . . . 8.66 110.12 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 25' ' ' LYS . . . . . 0.442 ' HA ' ' O ' ' C' ' 32' ' ' PHE . 18.2 tptm -136.31 125.32 24.33 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.281 -0.418 . . . . 13.38 111.411 -179.368 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 26' ' ' LYS . . . . . 0.564 ' HG2' ' O ' ' C' ' 28' ' ' GLN . 8.5 ttpp -85.59 120.45 27.05 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.195 -0.668 . . . . 14.09 109.195 178.114 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 27' ' ' ILE . . . . . 0.859 ' HB ' ' HB3' ' B' ' 45' ' ' ASP . 42.2 pt -73.96 -10.63 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 113.11 0.781 . . . . 14.88 113.11 -178.262 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 28' ' ' GLN . . . . . 0.564 ' O ' ' HG2' ' C' ' 26' ' ' LYS . 97.7 mt-30 -125.72 149.94 48.1 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 121.287 -0.165 . . . . 15.23 110.741 -179.636 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.9 133.61 48.29 Favored Pre-proline 0 N--CA 1.466 0.369 0 N-CA-C 113.029 0.751 . . . . 18.5 113.029 -178.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 30' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -79.02 134.79 33.76 Favored 'Cis proline' 0 C--N 1.346 0.397 0 C-N-CA 123.451 -1.479 . . . . 17.48 111.35 -0.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 31' ' ' LYS . . . . . 0.463 ' HE2' ' O ' ' C' ' 27' ' ' ILE . 83.7 mttt -88.44 113.79 24.39 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.141 0.496 . . . . 17.53 111.3 -179.769 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 32' ' ' PHE . . . . . 0.442 ' O ' ' HA ' ' C' ' 25' ' ' LYS . 50.9 p90 -127.77 149.91 50.04 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.913 -0.585 . . . . 13.5 110.632 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 33' ' ' SER . . . . . . . . . . . . . 73.6 m -124.69 113.24 17.73 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.636 -0.505 . . . . 12.36 109.636 179.177 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 34' ' ' ILE . . . . . 0.554 HG13 ' HB2' ' C' ' 24' ' ' LEU . 45.9 pt -129.41 142.32 44.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.78 0.324 . . . . 10.72 110.822 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 35' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -121.12 139.02 53.9 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.319 -0.4 . . . . 10.54 110.62 179.482 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 36' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -152.85 141.62 21.04 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.254 -0.43 . . . . 9.85 110.247 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -88.85 111.39 22.0 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.004 -0.543 . . . . 9.77 110.404 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 38' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -100.99 172.95 6.71 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.589 -0.523 . . . . 9.82 109.589 179.545 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 39' ' ' SER . . . . . 0.517 ' O ' ' HB2' ' C' ' 42' ' ' ASP . 59.7 p -97.64 153.9 38.12 Favored Pre-proline 0 C--N 1.321 -0.661 0 N-CA-C 109.389 -0.597 . . . . 11.97 109.389 179.401 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_endo -63.69 -22.07 69.9 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.026 1.817 . . . . 12.89 110.531 179.294 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.92 -6.55 59.2 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.095 -0.957 . . . . 14.42 111.133 179.734 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 42' ' ' ASP . . . . . 0.517 ' HB2' ' O ' ' C' ' 39' ' ' SER . 1.2 m-20 -75.3 156.48 35.55 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 116.301 -0.409 . . . . 11.77 110.415 179.589 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 40.3 p -114.76 169.63 8.93 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.247 -0.433 . . . . 11.4 109.908 179.682 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 44' ' ' ILE . . . . . 0.459 HD11 HD21 ' C' ' 81' ' ' LEU . 45.7 mm -63.08 -30.08 48.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.337 -0.616 . . . . 7.86 109.337 178.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 45' ' ' LEU . . . . . 0.545 ' O ' ' HG3' ' C' ' 49' ' ' GLN . 36.3 tp -60.3 -45.27 93.98 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.692 -0.685 . . . . 12.88 110.085 178.813 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 46' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -61.49 -38.11 86.1 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.196 -0.456 . . . . 12.18 110.757 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 47' ' ' ILE . . . . . 0.419 HD11 HD21 ' C' ' 78' ' ' LEU . 66.0 mt -62.03 -42.18 93.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 109.615 -0.513 . . . . 8.04 109.615 178.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -65.0 -44.45 89.2 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.648 -0.706 . . . . 10.51 109.882 179.19 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 49' ' ' GLN . . . . . 0.545 ' HG3' ' O ' ' C' ' 45' ' ' LEU . 52.1 mt-30 -59.4 -36.26 75.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.961 -0.563 . . . . 13.94 110.625 179.688 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 50' ' ' HIS . . . . . 0.404 ' O ' ' HG2' ' C' ' 54' ' ' GLU . 7.9 t60 -65.13 -31.54 72.78 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.853 -0.612 . . . . 11.16 111.274 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 94.5 mt -66.3 -28.52 68.75 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.192 0.52 . . . . 12.37 109.945 179.371 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 52' ' ' ILE . . . . . . . . . . . . . 72.5 mt -73.32 -41.52 57.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.499 -0.773 . . . . 15.35 109.59 178.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -63.74 -28.38 69.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.2 0.524 . . . . 15.02 110.689 179.499 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 54' ' ' GLU . . . . . 0.536 ' O ' ' HE2' ' C' ' 56' ' ' LYS . 58.1 mm-40 -85.7 -3.89 59.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.946 -0.57 . . . . 14.38 110.744 179.287 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 65.45 37.16 6.3 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.138 0.494 . . . . 18.85 111.294 -179.331 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 56' ' ' LYS . . . . . 0.536 ' HE2' ' O ' ' C' ' 54' ' ' GLU . 64.3 mmtt -106.67 -11.44 15.83 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.966 -0.561 . . . . 14.47 111.238 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 57' ' ' ALA . . . . . 0.536 ' HB2' HD13 ' C' ' 94' ' ' ILE . . . -150.51 156.63 41.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 15.28 110.562 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 58' ' ' SER . . . . . 0.639 ' HB2' ' OE1' ' C' ' 62' ' ' GLU . 3.2 m -81.3 -81.13 0.14 Allowed 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.202 -0.454 . . . . 17.75 111.314 179.752 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 59' ' ' HIS . . . . . 0.549 ' HB2' ' OE2' ' C' ' 62' ' ' GLU . 43.8 m-70 -117.71 172.9 7.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.893 0.378 . . . . 19.22 111.347 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 45.6 mm -64.87 -34.33 69.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.798 -0.637 . . . . 13.8 111.497 -179.331 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.7 -31.64 68.43 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.715 0.635 . . . . 14.67 112.715 -178.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 62' ' ' GLU . . . . . 0.639 ' OE1' ' HB2' ' C' ' 58' ' ' SER . 1.8 mp0 -89.84 -5.65 56.65 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.997 0.427 . . . . 16.71 112.148 -178.701 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 63' ' ' ILE . . . . . . . . . . . . . 51.6 mt -93.08 100.3 11.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 N-CA-C 112.734 0.642 . . . . 10.79 112.734 -178.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 64' ' ' LYS . . . . . 0.475 ' HB3' ' O ' ' C' ' 93' ' ' MET . 73.8 tttt -98.83 117.41 33.25 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.69 -0.855 . . . . 9.73 108.69 178.404 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 57.0 mt -112.02 144.14 41.86 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.769 0.319 . . . . 5.89 111.363 -179.299 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 66' ' ' LEU . . . . . 0.556 ' HB2' ' HB ' ' C' ' 91' ' ' THR . 5.2 mp -135.49 164.89 26.77 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.903 -0.589 . . . . 7.57 110.293 179.723 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 67' ' ' LEU . . . . . 0.431 ' HB2' HD21 ' C' ' 72' ' ' LEU . 48.6 tp -136.89 89.94 2.49 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.47 -0.567 . . . . 7.44 109.47 178.789 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 4.8 mmmt 73.86 -50.32 0.69 Allowed 'General case' 0 N--CA 1.467 0.411 0 O-C-N 123.741 0.65 . . . . 12.88 112.277 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . -152.93 -41.49 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.991 -0.623 . . . . 8.93 112.406 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 70' ' ' LYS . . . . . . . . . . . . . 10.7 tptt -82.47 156.42 24.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.702 0.287 . . . . 9.44 110.927 -179.616 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 71' ' ' VAL . . . . . . . . . . . . . 9.0 m -86.29 148.85 4.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.142 -0.481 . . . . 7.05 110.975 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 72' ' ' LEU . . . . . 0.431 HD21 ' HB2' ' C' ' 67' ' ' LEU . 83.3 mt -95.74 120.31 35.77 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.069 0.462 . . . . 5.9 110.685 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 73' ' ' HIS . . . . . . . . . . . . . 69.5 m-70 -88.42 138.02 31.8 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.927 -0.579 . . . . 8.93 110.075 -179.362 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 74' ' ' ASP . . . . . 0.483 ' HB3' ' HB2' ' C' ' 45' ' ' LEU . 1.6 m-20 -51.42 -41.05 60.51 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 113.183 0.809 . . . . 9.91 113.183 -178.185 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 75' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -76.26 5.54 6.83 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 113.443 0.905 . . . . 13.36 113.443 -178.494 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 76' ' ' LEU . . . . . . . . . . . . . 20.4 tp -86.52 134.65 33.65 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.925 0.393 . . . . 9.58 110.976 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -88.0 152.49 22.0 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.834 -0.621 . . . . 14.32 110.202 179.516 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 78' ' ' LEU . . . . . 0.45 ' HA ' ' HG ' ' C' ' 81' ' ' LEU . 11.3 mt -64.85 -21.46 66.8 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.449 0.537 . . . . 9.53 112.449 -179.214 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 79' ' ' SER . . . . . . . . . . . . . 1.7 m -66.97 -19.7 65.76 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 112.037 0.384 . . . . 12.75 112.037 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 80' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -93.71 -18.43 22.12 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.007 0.373 . . . . 12.44 112.007 -179.229 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 81' ' ' LEU . . . . . 0.459 HD21 HD11 ' C' ' 44' ' ' ILE . 26.3 mt -53.21 124.1 13.63 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.103 -0.498 . . . . 10.15 112.27 -178.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 82' ' ' LYS . . . . . . . . . . . . . 40.2 mmtm -82.02 62.13 5.64 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.799 -0.637 . . . . 12.59 110.049 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 8.8 m -104.6 126.68 59.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.464 0.65 . . . . 11.5 111.758 -179.288 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 84' ' ' THR . . . . . 0.471 ' HB ' ' HD2' ' C' ' 85' ' ' PRO . 30.5 p -116.21 175.31 1.99 Allowed Pre-proline 0 C--N 1.322 -0.628 0 N-CA-C 108.362 -0.977 . . . . 13.96 108.362 179.079 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 85' ' ' PRO . . . . . 0.471 ' HD2' ' HB ' ' C' ' 84' ' ' THR . 51.6 Cg_exo -59.03 -18.02 41.01 Favored 'Trans proline' 0 CA--C 1.533 0.441 0 C-N-CA 122.161 1.908 . . . . 14.91 111.886 178.783 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -89.21 -27.51 20.59 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.156 -0.474 . . . . 15.11 111.549 179.636 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 87' ' ' ASN . . . . . . . . . . . . . 14.4 p-10 -131.3 96.4 4.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.541 0.686 . . . . 12.35 111.876 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 88' ' ' SER . . . . . . . . . . . . . 1.2 m -122.1 7.67 9.76 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.322 0.582 . . . . 10.32 109.986 179.378 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 89' ' ' THR . . . . . 0.434 ' HA ' ' HB ' ' C' ' 23' ' ' THR . 2.8 m -93.74 130.05 39.86 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.422 -0.808 . . . . 9.82 111.312 -179.288 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 90' ' ' ILE . . . . . . . . . . . . . 49.4 mm -94.79 130.88 43.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 108.98 -0.748 . . . . 6.59 108.98 178.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 91' ' ' THR . . . . . 0.556 ' HB ' ' HB2' ' C' ' 66' ' ' LEU . 2.0 m -80.89 103.3 10.63 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.024 0.44 . . . . 8.75 111.097 -179.315 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 92' ' ' VAL . . . . . 0.472 ' HB ' ' HA ' ' C' ' 26' ' ' LYS . 42.2 t -93.37 117.42 36.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.167 -0.47 . . . . 9.58 109.925 179.748 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 93' ' ' MET . . . . . 0.475 ' O ' ' HB3' ' C' ' 64' ' ' LYS . 6.3 ttt -126.5 58.97 1.37 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.389 -0.369 . . . . 10.9 110.828 -179.458 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 94' ' ' ILE . . . . . 0.536 HD13 ' HB2' ' C' ' 57' ' ' ALA . 92.8 mt -56.36 130.39 18.94 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 CA-C-N 116.112 -0.494 . . . . 13.44 111.012 179.66 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 95' ' ' LYS . . . . . 0.517 ' O ' ' HB3' ' C' ' 62' ' ' GLU . 75.3 mmtt -115.49 139.78 25.09 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 115.9 -0.591 . . . . 14.6 110.698 -179.194 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 96' ' ' PRO . . . . . 0.472 ' O ' ' HB3' ' C' ' 97' ' ' ASN . 61.2 Cg_endo -76.71 79.73 2.98 Favored 'Trans proline' 0 N--CA 1.46 -0.446 0 C-N-CA 122.218 1.945 . . . . 17.56 111.316 178.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 97' ' ' ASN . . . . . 0.472 ' HB3' ' O ' ' C' ' 96' ' ' PRO . 7.2 t30 81.86 -51.29 0.0 OUTLIER Pre-proline 0 C--O 1.25 1.103 0 CA-C-N 115.32 -0.854 . . . . 18.17 111.835 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 98' ' ' PRO . . . . . . . . . . . . . . . . . . . . 1 C--N 1.246 -4.822 0 O-C-N 122.964 0.981 . . . . 15.75 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.4 tmt? . . . . . 0 N--CA 1.483 1.204 0 CA-C-O 120.869 0.366 . . . . 10.47 110.267 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 9.7 mmt -81.37 -70.59 0.52 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.072 -0.513 . . . . 11.61 110.613 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.9 m -154.74 23.18 0.45 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.37 -0.377 . . . . 10.77 110.487 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.617 ' HB2' ' HB2' ' B' ' 84' ' ' ASN . . . 57.86 42.23 23.5 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.344 0.593 . . . . 8.07 109.689 -178.81 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.43 ' HB2' ' HB2' ' A' ' 21' ' ' GLU . 0.7 OUTLIER -58.1 152.88 15.84 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.975 -1.012 . . . . 10.11 110.929 -179.254 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 40.3 mmtm -55.64 -47.01 77.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 10.66 111.332 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -75.79 -29.31 58.69 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.575 -0.284 . . . . 11.43 110.999 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.43 ' HB2' ' HB2' ' A' ' 18' ' ' SER . 59.0 tt0 -58.48 -39.19 79.31 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 121.389 0.614 . . . . 8.91 109.656 179.464 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 52.2 mt -87.12 -43.48 15.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.503 -0.771 . . . . 6.35 110.895 179.69 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.91 -41.9 75.25 Favored 'General case' 0 C--O 1.234 0.239 0 N-CA-C 112.113 0.412 . . . . 7.12 112.113 -179.317 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.49 -40.57 87.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.883 0.373 . . . . 7.6 111.211 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 91.5 mt -70.48 -33.92 71.79 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.179 -0.464 . . . . 5.59 111.248 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 91.3 mt -65.74 -53.05 42.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.148 -0.478 . . . . 4.33 110.664 179.635 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 20.2 m -66.4 -32.6 58.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.481 -0.327 . . . . 6.96 111.16 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -64.08 -37.37 87.19 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.235 0.54 . . . . 7.34 109.56 178.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.445 ' O ' HG13 ' A' ' 33' ' ' ILE . 44.9 t80 -64.73 -49.69 69.82 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.667 -0.697 . . . . 5.51 110.045 179.139 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.2 m-30 -60.76 -44.26 96.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.121 -0.49 . . . . 6.35 111.332 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.8 m -60.1 -39.72 87.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 8.01 111.298 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.562 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 24.6 m -68.35 -34.72 76.59 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.396 -0.366 . . . . 8.27 111.412 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.445 HG13 ' O ' ' A' ' 29' ' ' TYR . 98.3 mt -61.03 -45.28 98.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.536 -0.302 . . . . 8.37 111.549 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.446 HG13 HD12 ' A' ' 47' ' ' LEU . 2.9 m -74.97 -28.24 20.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 C-N-CA 120.989 -0.284 . . . . 9.63 111.746 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -61.26 -43.58 98.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.958 0.409 . . . . 10.98 111.311 179.652 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.562 ' HG2' ' O ' ' A' ' 32' ' ' SER . 18.7 pttt -94.46 5.44 51.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.022 -0.535 . . . . 11.09 110.782 179.592 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.0 mttm 51.57 54.54 10.84 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.522 -0.763 . . . . 11.72 112.757 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.438 ' HG3' ' HG3' ' A' ' 36' ' ' LYS . 7.5 mt-10 -87.51 -29.06 21.63 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.16 -0.473 . . . . 9.58 110.968 179.38 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.462 HD11 ' HB1' ' B' ' 57' ' ' ALA . 12.9 tt -86.73 164.16 2.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.154 -0.476 . . . . 9.5 110.516 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.1 p -72.71 165.87 23.95 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.968 0.413 . . . . 9.96 111.477 -179.559 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -62.62 -35.97 81.29 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.782 -0.645 . . . . 11.9 110.531 179.54 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.62 -30.79 61.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.991 -0.55 . . . . 10.3 110.857 -179.711 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -75.41 -14.6 81.82 Favored Glycine 0 C--N 1.33 0.235 0 CA-C-N 115.955 -0.566 . . . . 8.47 112.981 -179.55 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.87 -41.58 99.44 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.895 0.379 . . . . 8.42 110.257 179.573 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.753 ' HB3' ' H ' ' C' ' 71' ' ' VAL . 5.0 m-20 -62.49 -40.53 96.99 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.759 -0.655 . . . . 9.73 110.049 179.515 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -63.06 -43.94 97.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.534 -0.757 . . . . 7.86 111.471 -179.443 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.446 HD12 HG13 ' A' ' 34' ' ' VAL . 23.0 mt -66.94 -35.46 80.02 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.993 -0.283 . . . . 6.77 111.002 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -59.8 -52.8 63.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.102 -0.499 . . . . 9.39 110.874 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.673 HG21 HD13 ' C' ' 66' ' ' LEU . 7.8 p -69.39 -40.01 79.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 112.425 0.528 . . . . 9.6 112.425 -179.186 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.76 -48.61 80.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.795 0.331 . . . . 7.62 110.336 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 36.3 ttm -63.25 -40.69 98.14 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.858 -0.61 . . . . 8.19 110.388 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -61.68 -50.56 72.01 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.568 -0.742 . . . . 11.12 110.941 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 91.7 m -64.91 -38.57 91.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.325 -0.398 . . . . 9.77 111.822 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 65.3 mt -61.85 -36.65 75.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-O 121.043 0.449 . . . . 9.06 110.365 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 32.9 m -59.92 -53.7 54.83 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.678 -0.692 . . . . 10.96 111.797 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -71.01 -26.39 63.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.854 0.359 . . . . 12.89 111.903 -179.426 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.08 -48.52 67.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.134 -0.485 . . . . 11.68 111.239 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -83.47 -13.82 53.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.47 -0.332 . . . . 11.93 111.685 -179.566 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.03 45.95 6.87 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.683 -0.77 . . . . 13.13 113.006 179.105 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 20.1 p90 -144.66 141.63 29.5 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.115 -0.328 . . . . 12.01 110.115 179.323 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -73.21 146.22 45.68 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.679 -0.489 . . . . 14.85 109.679 179.161 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 17.3 ttp180 -57.58 -43.49 84.64 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.082 0.468 . . . . 11.66 110.779 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 51.7 mp0 -76.08 -3.41 35.8 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.773 -0.649 . . . . 13.0 111.731 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.95 -1.0 57.89 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.866 0.365 . . . . 12.82 111.198 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 14.4 p -60.89 -33.38 55.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 10.88 110.983 179.662 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.5 m -64.15 -39.0 93.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.037 -0.528 . . . . 12.04 111.067 179.652 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.33 -40.96 69.21 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.949 -0.643 . . . . 12.77 111.675 179.508 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 64.4 mt -62.96 -45.1 99.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.952 0.406 . . . . 11.54 110.377 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.438 ' O ' ' HB3' ' A' ' 75' ' ' LYS . 68.2 mt -69.98 -23.57 63.19 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.141 -0.481 . . . . 10.42 110.982 179.704 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -72.71 -34.43 59.64 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.952 -0.642 . . . . 12.46 112.875 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.2 ptpt -91.46 -27.57 18.18 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.211 0.448 . . . . 14.12 112.211 -179.442 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.8 m -87.64 147.58 25.21 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.614 -0.266 . . . . 10.83 110.696 -179.602 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.41 ' OE1' ' HD2' ' B' ' 90' ' ' PRO . 77.3 mm-40 -77.15 54.75 1.1 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.494 0.664 . . . . 10.68 111.525 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -139.77 11.7 2.47 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.428 -0.805 . . . . 8.37 109.246 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.438 ' HB3' ' O ' ' A' ' 69' ' ' LEU . 5.2 ptmt -64.02 132.88 51.92 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.99 -1.005 . . . . 12.83 111.365 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 79.3 18.93 73.02 Favored Glycine 0 N--CA 1.449 -0.438 0 CA-C-N 115.747 -0.66 . . . . 9.82 112.732 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -133.11 149.36 52.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.827 0.346 . . . . 8.93 111.243 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 17.0 m80 -115.69 163.25 16.08 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.96 -0.756 . . . . 8.72 108.96 179.151 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.415 HD11 HD11 ' B' ' 79' ' ' LEU . 21.7 tp -56.14 -40.24 73.5 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.834 0.679 . . . . 4.7 112.834 -179.021 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.87 -44.78 84.34 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.363 0.505 . . . . 5.96 112.363 -179.009 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -58.66 -53.52 57.38 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.098 0.475 . . . . 7.82 110.912 -179.188 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 41.0 mt -61.69 -47.12 94.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.489 -0.778 . . . . 5.79 112.09 -178.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.582 HD21 HD12 ' B' ' 25' ' ' LEU . 14.5 tp -60.2 -43.68 95.75 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.528 0.566 . . . . 5.97 112.528 -178.544 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -71.49 -28.0 63.62 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.925 -0.31 . . . . 9.2 111.301 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.5 m -75.82 -43.92 43.63 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.414 -0.357 . . . . 7.98 110.909 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -103.61 92.18 4.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.103 0.478 . . . . 7.06 110.885 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.726 ' HG ' ' N ' ' B' ' 14' ' ' MET . 3.4 m -119.74 175.34 5.92 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.036 -0.529 . . . . 9.21 110.573 -179.739 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 88' ' ' ARG . 0.2 OUTLIER -133.51 159.99 38.76 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.7 -0.227 . . . . 9.55 110.628 -179.817 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.44 ' HA ' ' HD3' ' A' ' 90' ' ' PRO . 45.9 t -106.75 118.75 53.53 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 116.157 -0.474 . . . . 12.15 109.911 179.395 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 89' ' ' VAL . 5.4 Cg_exo -74.47 91.25 0.98 Allowed 'Trans proline' 0 N--CA 1.465 -0.196 0 C-N-CA 123.168 2.579 . . . . 12.82 112.324 -179.585 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -86.25 115.74 23.99 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.334 -0.393 . . . . 14.19 111.08 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 36.7 m . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.143 -0.932 . . . . 15.67 110.475 179.201 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 14' ' ' MET . . . . . 0.726 ' N ' ' HG ' ' A' ' 87' ' ' SER . 46.4 ttp . . . . . 0 N--CA 1.482 1.147 0 CA-C-O 120.547 0.213 . . . . 11.23 111.343 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 16.5 mmt -99.42 43.5 1.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.808 -0.178 . . . . 13.11 111.224 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 1.4 m 63.01 90.73 0.08 Allowed 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.278 -0.419 . . . . 11.45 111.072 -179.43 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.89 109.64 0.99 Allowed 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.076 -0.511 . . . . 8.27 111.353 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' SER . . . . . 0.641 ' HB2' ' HG3' ' B' ' 21' ' ' GLU . 3.4 m -77.98 161.56 27.42 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.896 -0.593 . . . . 9.28 111.308 -179.709 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 19' ' ' LYS . . . . . 0.443 ' H ' ' HG2' ' B' ' 19' ' ' LYS . 20.4 mmtp -53.24 -50.81 63.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.007 -0.542 . . . . 8.44 112.065 -179.349 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 8.1 pm0 -63.79 -34.79 78.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 9.58 111.846 -179.188 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.641 ' HG3' ' HB2' ' B' ' 18' ' ' SER . 26.7 mt-10 -68.9 -40.29 79.24 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.101 -0.499 . . . . 8.61 110.331 -179.723 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.575 HG12 HD23 ' A' ' 83' ' ' LEU . 82.1 mt -69.27 -42.19 81.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 109.317 -0.623 . . . . 4.87 109.317 178.712 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.532 ' HA ' HD12 ' B' ' 26' ' ' ILE . . . -62.03 -33.09 73.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.709 -0.678 . . . . 4.42 111.015 179.665 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.52 -39.58 88.32 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.277 -0.419 . . . . 5.79 110.474 179.384 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.582 HD12 HD21 ' A' ' 83' ' ' LEU . 70.5 mt -73.32 -31.81 64.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.186 -0.461 . . . . 4.52 110.364 179.331 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.532 HD12 ' HA ' ' B' ' 23' ' ' ALA . 94.8 mt -63.98 -51.79 64.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.818 -0.628 . . . . 4.37 110.007 179.281 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 18.8 m -67.48 -33.52 62.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.398 -0.364 . . . . 6.25 110.684 179.361 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -62.26 -39.42 92.84 Favored 'General case' 0 CA--C 1.52 -0.184 0 N-CA-C 109.457 -0.572 . . . . 6.91 109.457 178.511 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -62.3 -48.9 77.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.848 -0.614 . . . . 7.07 110.238 179.281 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -64.08 -40.65 96.7 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.284 -0.416 . . . . 8.36 110.827 179.554 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 50.6 m -62.69 -37.81 87.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 9.5 110.293 179.224 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 43.8 m -68.89 -20.64 64.25 Favored 'General case' 0 C--O 1.225 -0.204 0 CA-C-N 115.934 -0.576 . . . . 9.77 110.586 179.293 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.805 HG23 ' HB2' ' B' ' 38' ' ' GLU . 95.1 mt -84.3 -44.5 17.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.302 -0.408 . . . . 11.09 110.594 179.596 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 29.1 m -71.56 -33.18 48.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 113.262 0.838 . . . . 12.38 113.262 -178.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -61.2 -42.94 99.47 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 112.38 0.511 . . . . 13.19 112.38 -179.434 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' LYS . . . . . 0.448 ' H ' ' HG2' ' B' ' 36' ' ' LYS . 0.0 OUTLIER -101.74 10.72 39.76 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.031 0.444 . . . . 13.7 110.925 179.332 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 17.6 ttmm 47.92 69.43 0.53 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.037 -0.983 . . . . 15.86 113.332 179.337 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' GLU . . . . . 0.805 ' HB2' HG23 ' B' ' 33' ' ' ILE . 36.0 mt-10 -88.65 -11.3 45.74 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.486 0.66 . . . . 12.56 109.525 178.608 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 17.1 tt -120.92 163.3 18.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.348 -0.842 . . . . 13.67 110.014 -179.155 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.23 161.69 29.68 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.716 0.293 . . . . 15.14 110.996 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.8 -28.36 63.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.437 . . . . 16.66 112.177 -179.569 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.43 -62.15 1.87 Allowed 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 110.286 -0.264 . . . . 15.52 110.286 178.777 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.32 -30.76 74.96 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 121.198 -0.525 . . . . 13.17 112.127 179.305 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.08 -38.76 92.45 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.773 0.32 . . . . 12.42 110.464 179.102 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.48 -42.32 92.32 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.199 -0.667 . . . . 13.38 109.199 179.344 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 46' ' ' SER . . . . . 0.577 ' HA ' HD12 ' C' ' 27' ' ' ILE . 0.7 OUTLIER -63.9 -47.77 79.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.595 -0.73 . . . . 11.72 110.793 179.327 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 86.6 mt -64.98 -31.73 73.11 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.295 -0.412 . . . . 9.64 111.352 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -54.95 -49.23 71.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.946 -0.57 . . . . 11.12 110.82 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 7.8 p -83.38 -35.71 12.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.268 -0.424 . . . . 10.04 111.209 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.11 -40.4 89.54 Favored 'General case' 0 N--CA 1.462 0.164 0 N-CA-C 112.061 0.393 . . . . 8.26 112.061 -179.321 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 46.6 mtm -61.79 -38.51 88.38 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-O 120.763 0.316 . . . . 7.93 111.295 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -66.99 -31.34 71.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.082 -0.508 . . . . 9.48 110.82 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 30.2 m -65.42 -34.34 78.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.953 -0.567 . . . . 8.11 110.584 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 71.4 mt -68.65 -44.56 82.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.936 -0.575 . . . . 6.13 111.307 -179.562 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.81 -50.82 72.0 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 112.55 0.574 . . . . 7.39 112.55 -179.126 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -68.31 -33.18 73.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.254 -0.43 . . . . 8.81 112.066 -178.682 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 57' ' ' ALA . . . . . 0.462 ' HB1' HD11 ' A' ' 39' ' ' ILE . . . -70.68 -52.8 18.69 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.131 0.419 . . . . 7.38 112.131 -179.441 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -71.81 -38.33 70.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.574 -0.284 . . . . 8.09 111.664 -179.415 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 106.86 59.86 0.58 Allowed Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.297 -0.954 . . . . 9.43 112.839 179.544 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -156.81 152.29 26.71 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.863 -0.421 . . . . 8.7 109.863 179.051 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' GLU . . . . . 0.602 ' HB3' ' HB3' ' B' ' 64' ' ' ALA . 0.3 OUTLIER -76.78 132.68 39.38 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.969 0.414 . . . . 11.16 111.089 -179.924 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 19.0 ttp-105 -70.64 -33.92 71.51 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.341 -0.845 . . . . 10.74 110.574 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -90.42 2.01 56.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.108 0.48 . . . . 11.8 111.546 -179.473 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 64' ' ' ALA . . . . . 0.602 ' HB3' ' HB3' ' B' ' 61' ' ' GLU . . . -122.82 28.55 7.22 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.216 -0.447 . . . . 10.53 110.342 179.573 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.555 ' HA ' HD12 ' B' ' 68' ' ' ILE . 13.9 p -66.59 -29.49 46.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.774 -0.648 . . . . 9.11 110.929 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -35.72 80.26 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 116.081 -0.509 . . . . 10.71 110.523 179.799 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -69.72 -30.49 70.61 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.937 -0.649 . . . . 11.05 111.713 179.43 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 68' ' ' ILE . . . . . 0.555 HD12 ' HA ' ' B' ' 65' ' ' VAL . 33.9 mt -71.2 -46.78 64.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 109.794 -0.447 . . . . 9.74 109.794 179.516 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.411 ' O ' ' HB3' ' B' ' 75' ' ' LYS . 75.2 mt -63.85 -36.81 85.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.92 -0.582 . . . . 9.17 110.178 179.503 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -74.57 -18.3 79.96 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.905 -0.664 . . . . 11.56 112.029 179.592 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -89.85 -47.24 8.01 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.755 0.312 . . . . 12.46 110.487 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 66.8 m -73.62 177.51 5.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.057 -0.52 . . . . 9.82 112.347 -179.389 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.423 ' H ' ' HG2' ' B' ' 73' ' ' GLU . 7.5 pt-20 -74.33 -26.17 59.99 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.631 -0.713 . . . . 10.24 111.249 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -87.46 97.58 10.91 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.046 -0.524 . . . . 7.68 111.303 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 75' ' ' LYS . . . . . 0.411 ' HB3' ' O ' ' B' ' 69' ' ' LEU . 0.1 OUTLIER -133.68 139.82 46.66 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.929 -0.578 . . . . 11.56 109.954 179.133 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 79.62 -47.85 3.34 Favored Glycine 0 CA--C 1.517 0.205 0 C-N-CA 121.097 -0.573 . . . . 8.65 111.95 -179.516 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -70.77 128.35 35.77 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 110.027 -0.36 . . . . 7.58 110.027 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 38.7 m80 -87.01 162.78 17.43 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.286 -0.635 . . . . 7.9 109.286 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.415 HD11 HD11 ' A' ' 79' ' ' LEU . 39.8 tp -57.04 -39.84 75.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.856 0.36 . . . . 4.14 111.231 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.65 -41.07 92.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.061 -0.518 . . . . 5.79 111.542 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -59.85 -51.09 71.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 6.75 110.614 -179.441 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 55.7 mt -62.98 -48.56 87.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.733 -0.667 . . . . 4.76 111.082 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 5.3 mp -61.49 -30.03 70.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.085 -0.507 . . . . 5.48 111.854 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 84' ' ' ASN . . . . . 0.617 ' HB2' ' HB2' ' A' ' 17' ' ' ALA . 55.5 t30 -77.65 -40.44 41.75 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.93 -0.308 . . . . 7.63 110.523 179.255 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 18.1 m -66.53 -38.45 87.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.943 -0.572 . . . . 6.84 110.492 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.42 111.9 2.51 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.629 -0.714 . . . . 6.55 110.879 179.625 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 6.5 m -100.53 100.41 11.14 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.916 -0.584 . . . . 8.4 110.886 -179.602 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 15.0 mmm180 -100.79 123.07 44.46 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.944 -0.571 . . . . 10.35 110.105 179.318 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 19.1 t -120.85 94.23 48.87 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-N 116.182 -0.463 . . . . 11.96 109.969 179.619 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 90' ' ' PRO . . . . . 0.41 ' HD2' ' OE1' ' A' ' 73' ' ' GLU . 14.7 Cg_exo -70.8 113.19 3.46 Favored 'Trans proline' 0 N--CA 1.462 -0.345 0 C-N-CA 122.977 2.451 . . . . 13.1 111.124 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -64.06 107.46 1.27 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.069 -0.514 . . . . 14.34 110.122 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 8.5 m . . . . . 0 C--O 1.246 0.899 0 CA-C-O 118.572 -0.727 . . . . 16.55 110.452 -179.362 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 37.5 t . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.481 -0.563 . . . . 9.95 109.481 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 21' ' ' HIS . . . . . . . . . . . . . 66.7 t60 -75.13 113.66 12.73 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.042 -0.527 . . . . 9.34 110.97 -179.497 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 22' ' ' LEU . . . . . . . . . . . . . 94.7 mt -120.25 137.46 54.21 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.163 -0.472 . . . . 6.88 111.209 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 23' ' ' THR . . . . . 0.635 HG23 ' HG2' ' C' ' 35' ' ' GLU . 23.2 m -106.47 112.82 25.99 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.343 -0.614 . . . . 8.91 109.343 179.089 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 24' ' ' LEU . . . . . 0.485 ' HB2' HG13 ' C' ' 34' ' ' ILE . 33.5 mt -92.64 123.41 35.91 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.704 -0.225 . . . . 8.66 110.83 -179.072 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 16.2 tptm -139.04 124.68 19.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.419 . . . . 13.38 111.018 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 26' ' ' LYS . . . . . 0.56 ' HE2' HD12 ' C' ' 94' ' ' ILE . 7.7 ttpp -91.11 118.92 30.82 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.468 -0.567 . . . . 14.09 109.468 178.636 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 27' ' ' ILE . . . . . 0.577 HD12 ' HA ' ' B' ' 46' ' ' SER . 17.8 pt -69.62 -41.05 80.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.095 -0.502 . . . . 14.88 112.297 -178.76 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 28' ' ' GLN . . . . . 0.5 ' H ' ' HG3' ' C' ' 28' ' ' GLN . 0.0 OUTLIER -87.15 154.39 20.77 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.537 -0.301 . . . . 15.23 111.031 -179.79 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.66 141.56 92.99 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.378 -0.373 . . . . 18.5 111.126 -179.55 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 30' ' ' PRO . . . . . 0.415 ' O ' ' HE3' ' C' ' 26' ' ' LYS . 71.6 Cg_endo -77.91 141.96 68.51 Favored 'Cis proline' 0 C--N 1.344 0.33 0 C-N-CA 123.218 -1.576 . . . . 17.48 111.549 -0.645 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 31' ' ' LYS . . . . . 0.554 ' HE2' ' O ' ' C' ' 27' ' ' ILE . 87.3 mttt -87.88 135.27 33.47 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.91 0.386 . . . . 17.53 111.554 -179.35 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 42.6 p90 -145.42 147.24 32.02 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.848 -0.615 . . . . 13.5 110.006 178.464 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 33' ' ' SER . . . . . . . . . . . . . 2.9 m -132.03 118.26 19.47 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.234 -0.439 . . . . 12.36 110.015 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 34' ' ' ILE . . . . . 0.485 HG13 ' HB2' ' C' ' 24' ' ' LEU . 8.5 pt -137.01 146.55 28.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.371 -0.377 . . . . 10.72 109.998 179.662 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 35' ' ' GLU . . . . . 0.635 ' HG2' HG23 ' C' ' 23' ' ' THR . 30.8 mt-10 -123.56 143.73 50.02 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.762 0.315 . . . . 10.54 111.14 -179.386 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 36' ' ' HIS . . . . . . . . . . . . . 14.4 t60 -157.53 141.09 15.66 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.198 -0.455 . . . . 9.85 110.086 179.269 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -94.48 113.6 25.47 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.278 -0.638 . . . . 9.77 109.278 179.13 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 38' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -99.61 -178.81 4.0 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.739 0.304 . . . . 9.82 111.053 -179.209 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 39' ' ' SER . . . . . 0.429 ' HA ' ' HD3' ' C' ' 40' ' ' PRO . 0.5 OUTLIER -99.22 148.59 34.84 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 116.731 -0.213 . . . . 11.97 110.7 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 40' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' C' ' 39' ' ' SER . 22.8 Cg_exo -65.43 -17.67 58.2 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.736 2.291 . . . . 12.89 111.789 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.99 2.16 54.41 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.69 -0.686 . . . . 14.42 111.014 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 42' ' ' ASP . . . . . 0.402 ' O ' ' HG ' ' C' ' 78' ' ' LEU . 58.5 m-20 -95.01 157.37 15.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.423 -0.353 . . . . 11.77 110.568 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 27.8 p -111.23 179.26 4.09 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.233 -0.44 . . . . 11.4 110.335 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 45.1 mm -64.52 -27.76 43.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.032 0.444 . . . . 7.86 110.447 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 53.2 tp -59.12 -39.09 81.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.78 -0.645 . . . . 12.88 110.967 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 46' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -62.93 -39.08 93.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.199 -0.455 . . . . 12.18 110.585 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 44.4 mt -65.53 -42.95 94.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.927 -0.579 . . . . 8.04 110.215 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -61.82 -46.4 89.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.861 -0.609 . . . . 10.51 110.684 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -62.92 -36.63 84.03 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.018 -0.537 . . . . 13.94 110.397 179.337 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 50' ' ' HIS . . . . . 0.408 ' O ' ' HG2' ' C' ' 54' ' ' GLU . 68.6 t60 -63.62 -37.15 86.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.981 -0.554 . . . . 11.16 110.611 179.364 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 51' ' ' LEU . . . . . 0.411 HD21 HD13 ' C' ' 24' ' ' LEU . 61.3 mt -62.24 -32.08 72.72 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.437 -0.347 . . . . 12.37 111.283 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 52' ' ' ILE . . . . . . . . . . . . . 69.3 mt -66.89 -45.72 86.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.2 -0.454 . . . . 15.35 110.1 179.439 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.21 -30.21 71.28 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.196 -0.456 . . . . 15.02 111.097 179.47 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 54' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' C' ' 50' ' ' HIS . 5.8 mm-40 -78.43 0.43 25.86 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.289 -0.414 . . . . 14.38 110.597 179.647 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 62.69 42.07 8.59 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.849 -0.614 . . . . 18.85 111.281 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 35.0 mmtm -128.6 10.53 6.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.269 -0.423 . . . . 14.47 111.527 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -157.91 164.41 36.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.303 -0.408 . . . . 15.28 110.81 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 58' ' ' SER . . . . . 0.4 ' HB3' ' OE1' ' C' ' 62' ' ' GLU . 25.2 t -118.87 -75.7 0.58 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.474 -0.33 . . . . 17.75 111.099 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 59' ' ' HIS . . . . . 0.441 ' HB2' ' HG3' ' C' ' 62' ' ' GLU . 86.0 m-70 -100.86 153.28 19.62 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.676 0.274 . . . . 19.22 110.595 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 45.9 mm -65.86 -39.03 83.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.02 -0.536 . . . . 13.8 111.443 -179.374 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 3.4 p -68.12 -18.83 64.75 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.175 -0.466 . . . . 14.67 112.236 -179.076 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 62' ' ' GLU . . . . . 0.441 ' HG3' ' HB2' ' C' ' 59' ' ' HIS . 52.2 mt-10 -83.46 -15.97 47.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.927 0.394 . . . . 16.71 110.771 -179.735 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 63' ' ' ILE . . . . . . . . . . . . . 25.5 mt -89.69 104.53 15.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.035 -0.529 . . . . 10.79 111.68 -178.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 64' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -102.1 95.58 6.43 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.552 -0.749 . . . . 9.73 109.538 179.557 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 65' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' C' ' 92' ' ' VAL . 86.4 mt -93.24 146.44 23.69 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.121 -0.49 . . . . 5.89 110.594 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 66' ' ' LEU . . . . . 0.835 ' HG ' ' HB ' ' C' ' 91' ' ' THR . 0.7 OUTLIER -154.76 160.92 41.63 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.434 -0.348 . . . . 7.57 110.701 -179.865 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 67' ' ' LEU . . . . . 0.401 HD13 HD13 ' C' ' 90' ' ' ILE . 43.3 tp -146.58 115.3 6.83 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.834 -0.621 . . . . 7.44 109.916 179.142 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 68' ' ' LYS . . . . . 0.465 ' HE3' ' HB3' ' C' ' 68' ' ' LYS . 24.5 mmmt 62.42 29.97 17.25 Favored 'General case' 0 C--N 1.332 -0.16 0 O-C-N 123.621 0.576 . . . . 12.88 111.397 179.464 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 95.26 -31.57 6.94 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.954 -0.641 . . . . 8.93 111.877 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 70' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -70.63 114.18 8.47 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.97 -0.382 . . . . 9.44 109.97 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 71' ' ' VAL . . . . . 0.753 ' H ' ' HB3' ' A' ' 45' ' ' ASP . 60.7 t -63.97 126.29 22.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.594 -0.521 . . . . 7.05 109.594 179.266 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 52.4 mt -80.78 91.39 5.92 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.306 0.574 . . . . 5.9 110.59 -179.327 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 73' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -69.43 144.72 53.24 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.27 -0.877 . . . . 8.93 109.584 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -49.3 -45.43 45.22 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 113.077 0.769 . . . . 9.91 113.077 -178.476 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 75' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -80.56 55.6 2.37 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.241 -0.436 . . . . 13.36 112.094 -179.221 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 76' ' ' LEU . . . . . . . . . . . . . 32.7 tp -139.78 128.38 23.03 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.567 -0.531 . . . . 9.58 109.567 179.509 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -81.34 149.64 28.82 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.227 -0.442 . . . . 14.32 111.043 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 78' ' ' LEU . . . . . 0.599 ' HA ' ' HG ' ' C' ' 81' ' ' LEU . 21.3 mt -64.05 -17.16 63.1 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.974 -0.557 . . . . 9.53 112.011 -179.256 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 79' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.53 -19.48 63.71 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.339 -0.391 . . . . 12.75 110.875 179.651 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 80' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -96.61 5.14 51.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.106 0.479 . . . . 12.44 111.058 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 81' ' ' LEU . . . . . 0.599 ' HG ' ' HA ' ' C' ' 78' ' ' LEU . 30.1 mt -77.82 122.3 25.25 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.837 0.351 . . . . 10.15 110.396 179.543 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 82' ' ' LYS . . . . . . . . . . . . . 41.2 mmtt -82.26 47.1 1.1 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.157 0.503 . . . . 12.59 110.662 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -85.52 115.46 27.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.918 -0.583 . . . . 11.5 111.745 -179.35 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 84' ' ' THR . . . . . . . . . . . . . 2.3 p -111.85 162.98 18.78 Favored Pre-proline 0 C--N 1.319 -0.754 0 N-CA-C 108.358 -0.978 . . . . 13.96 108.358 179.048 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 85' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -54.84 -31.25 71.95 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.81 2.34 . . . . 14.91 112.545 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -72.76 -21.07 61.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.399 -0.364 . . . . 15.11 111.865 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 87' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -155.65 74.51 0.88 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.153 0.501 . . . . 12.35 111.912 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 88' ' ' SER . . . . . . . . . . . . . 1.1 m -96.65 11.57 34.9 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.264 0.554 . . . . 10.32 110.222 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 89' ' ' THR . . . . . . . . . . . . . 11.2 m -88.87 124.87 34.61 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.773 -0.648 . . . . 9.82 112.109 -179.288 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 90' ' ' ILE . . . . . 0.401 HD13 HD13 ' C' ' 67' ' ' LEU . 49.1 mm -92.56 125.92 45.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 108.469 -0.938 . . . . 6.59 108.469 178.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 91' ' ' THR . . . . . 0.835 ' HB ' ' HG ' ' C' ' 66' ' ' LEU . 2.0 m -74.39 111.64 9.77 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.123 -0.489 . . . . 8.75 110.958 -179.336 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 92' ' ' VAL . . . . . 0.425 ' O ' ' HA ' ' C' ' 26' ' ' LYS . 42.4 t -98.22 129.07 49.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.948 -0.569 . . . . 9.58 110.157 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 93' ' ' MET . . . . . 0.447 ' SD ' HD11 ' C' ' 27' ' ' ILE . 7.9 mtm -135.82 143.04 44.94 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.514 -0.312 . . . . 10.9 110.223 179.426 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 94' ' ' ILE . . . . . 0.56 HD12 ' HE2' ' C' ' 26' ' ' LYS . 63.6 mt -116.9 116.96 53.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 109.794 -0.447 . . . . 13.44 109.794 179.12 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 95' ' ' LYS . . . . . . . . . . . . . 20.3 mmtp -127.6 118.2 21.32 Favored Pre-proline 0 C--N 1.321 -0.64 0 CA-C-N 115.877 -0.601 . . . . 14.6 110.234 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 96' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -61.86 129.73 28.58 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.898 2.399 . . . . 17.56 112.229 -179.682 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 17.2 t30 68.71 -81.49 0.0 OUTLIER Pre-proline 0 C--O 1.249 1.036 0 CA-C-O 118.038 -0.982 . . . . 18.17 112.487 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 98' ' ' PRO . . . . . . . . . . . . . . . . . . . . 1 C--N 1.248 -4.721 0 O-C-N 122.904 0.949 . . . . 15.75 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.0 m . . . . . 0 N--CA 1.454 -0.247 0 N-CA-C 112.015 0.376 . . . . 10.77 112.015 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 60.48 46.86 9.23 Favored 'General case' 0 CA--C 1.521 -0.136 0 CA-C-O 121.327 0.584 . . . . 8.07 110.646 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.9 m -70.03 171.62 9.23 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.413 -0.812 . . . . 10.11 110.17 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.1 mtmm -54.56 -41.82 70.24 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.249 -0.432 . . . . 10.66 112.064 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.0 pm0 -69.34 -35.38 75.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.506 0.193 . . . . 11.43 111.314 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -64.73 -47.45 78.21 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 121.048 0.452 . . . . 8.91 110.273 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 65.6 mt -69.82 -43.58 79.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.672 -0.694 . . . . 6.35 111.163 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.69 -43.19 72.29 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 112.136 0.421 . . . . 7.12 112.136 -179.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.25 -42.97 92.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 7.6 110.935 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 74.7 mt -69.41 -34.9 75.16 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.162 -0.472 . . . . 5.59 111.34 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 91.8 mt -65.57 -52.12 54.73 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-N 116.267 -0.424 . . . . 4.33 110.516 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.4 m -65.99 -31.66 54.68 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 CA-C-N 116.393 -0.367 . . . . 6.96 110.924 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -66.92 -40.9 87.75 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.849 -0.426 . . . . 7.34 109.849 178.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.476 ' HB2' ' HB3' ' A' ' 79' ' ' LEU . 29.4 t80 -60.25 -46.84 88.41 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.904 -0.589 . . . . 5.51 109.874 178.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.2 m-30 -61.23 -39.82 91.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.073 -0.512 . . . . 6.35 110.427 179.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.403 ' O ' ' HB2' ' A' ' 35' ' ' GLU . 25.1 m -64.06 -36.46 84.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.838 -0.619 . . . . 8.01 110.329 179.135 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 17.3 m -67.96 -41.02 83.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.043 -0.526 . . . . 8.27 110.486 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.483 HG23 ' HB2' ' A' ' 38' ' ' GLU . 78.8 mt -60.4 -48.94 86.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 116.171 -0.468 . . . . 8.37 111.34 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.2 m -73.07 -26.02 22.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 112.42 0.526 . . . . 9.63 112.42 -179.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.403 ' HB2' ' O ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -63.81 -53.91 43.42 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.85 0.357 . . . . 10.98 111.171 -179.78 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.469 ' HG3' ' HG3' ' A' ' 38' ' ' GLU . 22.2 pttt -88.4 8.26 28.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.937 0.399 . . . . 11.09 111.031 179.661 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.484 ' HE2' ' O ' ' A' ' 39' ' ' ILE . 14.6 tptm 52.47 68.68 0.79 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.352 -0.84 . . . . 11.72 112.216 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.483 ' HB2' HG23 ' A' ' 33' ' ' ILE . 2.4 mt-10 -100.87 4.9 43.14 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.974 -0.557 . . . . 9.58 110.611 179.239 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.484 ' O ' ' HE2' ' A' ' 37' ' ' LYS . 20.1 tt -140.26 149.47 21.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.837 -0.62 . . . . 9.5 109.917 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.6 p -74.23 158.53 33.93 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.387 -0.37 . . . . 9.96 110.725 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -55.48 -24.98 34.31 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.999 -0.546 . . . . 11.9 112.23 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -59.62 -54.71 43.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.187 -0.46 . . . . 10.3 110.466 179.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.99 -16.96 62.12 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.864 -0.684 . . . . 8.47 112.273 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.08 -46.3 88.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.612 0.244 . . . . 8.42 111.557 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -69.19 -29.31 67.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.745 0.307 . . . . 9.73 110.984 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 13.9 m -64.06 -47.63 79.41 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.052 0.453 . . . . 7.86 109.88 178.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 92.1 mt -71.06 -30.01 66.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 6.77 110.0 179.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 18.8 t30 -58.5 -46.67 86.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.333 -0.849 . . . . 9.39 110.631 179.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.567 HG11 HD21 ' C' ' 66' ' ' LEU . 7.7 p -79.79 -37.28 17.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.484 -0.326 . . . . 9.6 111.081 179.631 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.16 -39.15 81.6 Favored 'General case' 0 C--N 1.334 -0.078 0 CA-C-O 120.806 0.336 . . . . 7.62 110.989 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 35.2 ttm -58.32 -40.66 82.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.991 -0.549 . . . . 8.19 110.618 179.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.477 ' OD2' ' HG3' ' C' ' 95' ' ' LYS . 21.6 t70 -69.9 -40.81 75.39 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.753 -0.658 . . . . 11.12 110.876 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 69.8 m -60.15 -41.39 92.64 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 121.06 0.457 . . . . 9.77 109.91 178.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 97.6 mt -64.27 -41.96 93.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.829 -0.623 . . . . 9.06 109.763 179.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.487 ' HA ' ' CZ ' ' A' ' 60' ' ' PHE . 19.6 m -60.34 -44.31 95.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.789 -0.642 . . . . 10.96 111.429 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.406 ' HB2' ' NZ ' ' C' ' 95' ' ' LYS . 82.0 tt0 -70.14 -37.8 75.36 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.35 -0.386 . . . . 12.89 111.741 -179.617 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.75 -42.57 97.66 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.677 0.621 . . . . 11.68 112.677 -179.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -88.59 -17.81 29.36 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 112.41 0.522 . . . . 11.93 112.41 -179.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.32 58.33 1.67 Allowed Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.795 -0.717 . . . . 13.13 114.02 178.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.487 ' CZ ' ' HA ' ' A' ' 55' ' ' SER . 51.6 p90 -151.94 155.47 38.12 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.285 -0.265 . . . . 12.01 110.285 178.248 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -80.66 143.04 33.37 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.919 0.39 . . . . 14.85 111.539 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 28.0 ttp180 -57.52 -42.29 82.54 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.648 -0.705 . . . . 11.66 111.566 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 22.8 mp0 -88.46 10.47 20.04 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.252 -0.431 . . . . 13.0 112.046 -179.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -100.24 6.1 44.69 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.917 0.389 . . . . 12.82 111.154 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.4 p -61.26 -32.22 52.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.829 -0.623 . . . . 10.88 111.078 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.55 -34.81 77.69 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.883 -0.599 . . . . 12.04 110.999 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -78.89 -38.03 24.34 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.756 -0.735 . . . . 12.77 111.679 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 53.7 mt -62.54 -43.04 98.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.723 0.296 . . . . 11.54 110.728 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 96.9 mt -68.06 -23.1 64.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 10.42 110.601 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -81.41 -50.61 4.98 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.979 -0.629 . . . . 12.46 112.212 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -66.58 -27.22 67.55 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 111.975 0.361 . . . . 14.12 111.975 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.8 m -95.08 162.01 13.89 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.214 -0.662 . . . . 10.83 109.214 178.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 54.7 mm-40 -89.2 56.63 3.73 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.033 0.445 . . . . 10.68 111.232 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -133.65 18.32 3.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.407 0.622 . . . . 8.37 110.052 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.659 ' HD2' ' H ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -68.81 129.82 41.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.615 -0.72 . . . . 12.83 110.634 179.834 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 80.76 15.81 76.8 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.613 -0.803 . . . . 9.82 111.894 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -132.28 131.57 42.16 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.825 0.345 . . . . 8.93 110.749 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 12.7 m80 -109.17 158.48 17.77 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.756 -0.831 . . . . 8.72 108.756 179.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.476 ' HB3' ' HB2' ' A' ' 29' ' ' TYR . 24.8 tp -54.48 -33.77 60.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.859 0.361 . . . . 4.7 111.032 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.83 -57.37 8.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.942 -0.572 . . . . 5.96 111.249 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -59.96 -35.65 75.44 Favored 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 111.873 0.323 . . . . 7.82 111.873 -179.526 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 85.5 mt -64.62 -50.77 74.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.685 -0.234 . . . . 5.79 110.682 179.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.9 mp -66.1 -31.51 72.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.304 0.573 . . . . 5.97 110.4 179.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -65.13 -23.71 67.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.456 -0.793 . . . . 9.2 110.995 179.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 12.8 m -93.75 0.74 56.5 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.309 -0.405 . . . . 7.98 111.245 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -93.55 98.82 11.42 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-O 121.213 0.53 . . . . 7.06 111.377 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.7 m -89.02 65.29 7.44 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.074 -0.512 . . . . 9.21 111.322 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -72.03 120.41 17.59 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.141 -0.481 . . . . 9.55 110.009 179.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.427 ' HA ' ' HD3' ' A' ' 90' ' ' PRO . 45.5 t -104.72 116.48 60.88 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 116.447 -0.342 . . . . 12.15 110.238 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 89' ' ' VAL . 7.1 Cg_exo -74.48 102.79 1.6 Allowed 'Trans proline' 0 N--CA 1.462 -0.334 0 C-N-CA 122.883 2.389 . . . . 12.82 111.516 179.613 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -93.66 54.78 2.07 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.107 0.48 . . . . 14.19 110.105 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.251 1.134 0 CA-C-O 118.46 -0.781 . . . . 15.67 111.196 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 44.8 ttp . . . . . 0 N--CA 1.479 0.991 0 N-CA-C 110.302 -0.259 . . . . 11.23 110.302 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 13.3 mmt -82.85 59.26 4.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.943 0.402 . . . . 13.11 110.402 178.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 11.6 m 65.94 -164.76 0.23 Allowed 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 115.38 -0.827 . . . . 11.45 110.951 -179.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.469 ' HB1' HD11 ' B' ' 22' ' ' ILE . . . -128.42 83.0 2.12 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.879 0.371 . . . . 8.27 110.455 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . 0.757 ' HB2' ' HG3' ' B' ' 21' ' ' GLU . 1.4 m -69.17 141.0 54.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.094 -0.503 . . . . 9.28 110.689 179.671 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . 0.468 ' HB3' ' HE2' ' B' ' 58' ' ' PHE . 49.6 mttp -52.2 -45.84 65.35 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.978 0.733 . . . . 8.44 112.978 -178.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 3.6 pm0 -65.88 -34.17 77.52 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.721 0.296 . . . . 9.58 111.198 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.757 ' HG3' ' HB2' ' B' ' 18' ' ' SER . 29.0 mt-10 -69.58 -39.58 77.25 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.013 0.435 . . . . 8.61 110.233 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.469 HD11 ' HB1' ' B' ' 17' ' ' ALA . 72.4 mt -68.79 -45.2 81.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 109.375 -0.602 . . . . 4.87 109.375 178.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.72 -37.8 79.88 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.702 -0.681 . . . . 4.42 111.143 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.25 -40.02 92.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.113 -0.494 . . . . 5.79 110.522 179.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.4 HD21 ' HB3' ' B' ' 74' ' ' PHE . 38.3 mt -71.11 -34.16 70.83 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.28 -0.418 . . . . 4.52 110.894 179.342 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.405 HG13 ' O ' ' B' ' 22' ' ' ILE . 97.1 mt -64.19 -50.87 74.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 4.37 110.344 179.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 31.2 m -66.75 -35.1 73.95 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-O 120.917 0.389 . . . . 6.25 110.677 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -63.48 -39.99 95.9 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.12 -0.491 . . . . 6.91 109.777 178.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -59.21 -49.24 78.62 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.72 -0.673 . . . . 7.07 110.377 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -63.33 -38.83 92.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.357 -0.383 . . . . 8.36 110.581 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 42.0 m -63.61 -36.21 83.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.009 -0.541 . . . . 9.5 110.474 178.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . 0.422 ' HA ' ' OE2' ' B' ' 35' ' ' GLU . 19.2 m -70.61 -14.95 62.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.293 0.568 . . . . 9.77 111.019 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.781 HG23 ' HB3' ' B' ' 38' ' ' GLU . 97.2 mt -89.27 -45.87 15.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.049 -0.523 . . . . 11.09 110.011 179.212 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 26.9 m -74.38 -24.0 18.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 112.736 0.643 . . . . 12.38 112.736 -179.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.422 ' OE2' ' HA ' ' B' ' 32' ' ' SER . 7.8 pt-20 -64.7 -24.32 67.53 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 111.93 0.344 . . . . 13.19 111.93 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 23.4 pttm -124.54 14.26 8.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.797 0.332 . . . . 13.7 111.258 -179.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 20.3 ttmm 51.46 55.15 9.86 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.724 -0.671 . . . . 15.86 112.016 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . 0.781 ' HB3' HG23 ' B' ' 33' ' ' ILE . 83.9 tt0 -83.87 -16.53 44.1 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.531 0.682 . . . . 12.56 109.575 179.231 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . 0.427 HG13 ' N ' ' B' ' 40' ' ' SER . 4.7 tp -110.2 160.53 9.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.25 -0.887 . . . . 13.67 109.308 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' SER . . . . . 0.427 ' N ' HG13 ' B' ' 39' ' ' ILE . 2.1 p -69.87 167.18 17.88 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.808 0.337 . . . . 15.14 111.6 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -55.08 -38.22 67.79 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.002 -0.545 . . . . 16.66 111.927 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . 0.71 ' HA ' ' HD3' ' C' ' 31' ' ' LYS . 0.3 OUTLIER -73.46 -45.29 55.05 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.104 -0.498 . . . . 15.52 110.179 179.346 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . 0.43 ' O ' ' HG ' ' B' ' 47' ' ' LEU . . . -59.77 -39.77 95.76 Favored Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 115.902 -0.59 . . . . 13.17 111.881 179.09 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.33 -45.51 91.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.839 0.352 . . . . 12.42 110.682 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . 0.402 ' HB3' ' HB ' ' C' ' 27' ' ' ILE . 0.2 OUTLIER -64.31 -43.13 95.66 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.782 -0.645 . . . . 13.38 109.757 179.556 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 19.1 m -62.99 -44.5 95.85 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.318 -0.856 . . . . 11.72 111.413 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' B' ' 43' ' ' GLY . 74.2 mt -65.83 -35.42 80.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.764 0.316 . . . . 9.64 111.051 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -58.98 -52.21 66.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.495 . . . . 11.12 110.954 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . 0.616 HG21 HG21 ' C' ' 91' ' ' THR . 14.4 p -70.14 -33.7 55.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.393 -0.367 . . . . 10.04 111.124 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.41 -42.9 96.93 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.829 0.347 . . . . 8.26 110.164 179.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 74.3 mtm -64.07 -36.47 84.12 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.928 -0.578 . . . . 7.93 110.355 179.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.16 -42.23 96.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.822 -0.626 . . . . 9.48 110.362 179.446 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' CYS . . . . . 0.464 ' SG ' ' HA2' ' C' ' 69' ' ' GLY . 35.9 m -62.3 -43.39 98.94 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.652 -0.704 . . . . 8.11 110.468 179.366 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 87.9 mt -62.81 -43.27 98.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 6.13 110.313 179.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . 0.429 ' HA ' ' CE1' ' B' ' 60' ' ' PHE . 19.8 m -59.71 -52.07 67.08 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.732 -0.667 . . . . 7.39 112.326 -179.313 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -68.83 -29.63 68.0 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.781 0.66 . . . . 8.81 112.781 -178.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.26 -39.14 65.64 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.865 0.32 . . . . 7.38 111.865 -179.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' PHE . . . . . 0.468 ' HE2' ' HB3' ' B' ' 19' ' ' LYS . 48.2 m-85 -83.97 -29.35 27.1 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.136 0.421 . . . . 8.09 112.136 -179.643 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 104.01 48.05 1.19 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.675 -0.774 . . . . 9.43 112.994 179.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . 0.429 ' CE1' ' HA ' ' B' ' 55' ' ' SER . 36.4 p90 -154.11 177.64 10.86 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.829 -0.434 . . . . 8.7 109.829 179.202 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -118.44 146.77 44.21 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.707 0.289 . . . . 11.16 110.62 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' B' ' 62' ' ' ARG . 14.0 ttp-105 -64.84 -31.38 72.59 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.328 0.585 . . . . 10.74 109.923 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -77.69 0.16 24.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.836 -0.62 . . . . 11.8 111.053 179.344 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -116.29 12.92 15.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.159 -0.473 . . . . 10.53 110.879 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 14.1 p -63.12 -34.47 66.91 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-N 116.156 -0.474 . . . . 9.11 111.12 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.37 -35.36 80.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.112 -0.494 . . . . 10.71 110.539 179.555 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -71.26 -35.6 63.77 Favored Glycine 0 N--CA 1.446 -0.636 0 CA-C-N 115.675 -0.693 . . . . 11.05 112.065 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 56.6 mt -71.04 -51.08 37.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 109.66 -0.496 . . . . 9.74 109.66 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.474 ' O ' ' HB3' ' B' ' 75' ' ' LYS . 96.6 mt -62.24 -29.57 70.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.997 -0.547 . . . . 9.17 110.998 179.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -67.05 -26.52 73.31 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 121.175 -0.536 . . . . 11.56 112.381 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 53.8 mttp -92.49 -44.24 8.75 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.768 -0.456 . . . . 12.46 109.768 179.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 68.9 m -63.68 161.78 14.38 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.582 -0.735 . . . . 9.82 111.738 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -81.77 20.75 0.91 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.74 -0.664 . . . . 10.24 110.565 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.4 ' HB3' HD21 ' B' ' 25' ' ' LEU . 44.5 m-85 -110.48 11.83 23.03 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.983 -0.553 . . . . 7.68 110.589 -179.389 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 75' ' ' LYS . . . . . 0.474 ' HB3' ' O ' ' B' ' 69' ' ' LEU . 12.9 ptmt -64.87 119.81 11.36 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.823 -0.626 . . . . 11.56 110.421 179.488 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 90.24 9.41 65.33 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.718 -0.753 . . . . 8.65 111.756 -179.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 14.9 mm-40 -126.97 166.69 17.05 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.122 -0.325 . . . . 7.58 110.122 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 19.8 m80 -135.27 165.32 25.7 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.426 -0.583 . . . . 7.9 109.426 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 18.1 tp -62.48 -29.65 70.69 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.321 -0.399 . . . . 4.14 110.99 179.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.89 -57.48 6.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.033 -0.53 . . . . 5.79 112.289 -179.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.58 -39.17 90.23 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 112.748 0.647 . . . . 6.75 112.748 -179.094 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.38 -45.88 94.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 120.903 0.382 . . . . 4.76 111.026 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 5.5 mp -69.51 -28.33 65.95 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.191 0.519 . . . . 5.48 110.953 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -69.82 -45.63 67.44 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.069 -0.514 . . . . 7.63 110.415 179.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 3.8 p -70.43 -40.13 73.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 6.84 110.468 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.16 114.71 3.59 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 109.536 -0.542 . . . . 6.55 109.536 178.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 6.5 m -130.83 127.58 38.91 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.238 -0.437 . . . . 8.4 111.687 -178.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 34.9 mmm-85 -124.19 142.31 51.34 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.907 -1.146 . . . . 10.35 107.907 178.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 21.8 t -113.28 107.25 53.91 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-O 120.731 0.301 . . . . 11.96 110.768 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 90' ' ' PRO . . . . . 0.465 ' HG2' ' HD3' ' A' ' 75' ' ' LYS . 23.7 Cg_exo . . . . . 0 C--O 1.234 0.312 0 C-N-CA 123.062 2.508 . . . . 13.1 112.037 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 59.1 t . . . . . 0 C--O 1.231 0.116 0 N-CA-C 109.304 -0.628 . . . . 9.95 109.304 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 21' ' ' HIS . . . . . . . . . . . . . 38.2 t60 -81.74 117.12 21.8 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.315 -0.402 . . . . 9.34 111.07 -178.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 22' ' ' LEU . . . . . . . . . . . . . 97.4 mt -124.73 147.8 48.43 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.017 0.437 . . . . 6.88 111.581 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 23' ' ' THR . . . . . 0.569 ' HB ' ' HA ' ' C' ' 89' ' ' THR . 11.9 m -113.88 120.61 41.32 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.727 -0.67 . . . . 8.91 109.423 179.115 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 24' ' ' LEU . . . . . 0.466 ' HB2' HG13 ' C' ' 34' ' ' ILE . 39.8 mt -99.83 116.1 31.12 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.666 0.27 . . . . 8.66 110.299 -179.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -131.15 132.3 44.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.249 -0.432 . . . . 13.38 111.417 -179.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 26' ' ' LYS . . . . . 0.431 ' HD3' ' CE2' ' C' ' 32' ' ' PHE . 8.4 ttpp -96.26 127.84 42.62 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.432 -0.581 . . . . 14.09 109.432 178.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 27' ' ' ILE . . . . . 0.794 HD13 ' H ' ' C' ' 27' ' ' ILE . 0.2 OUTLIER -78.66 -28.51 14.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 112.675 0.62 . . . . 14.88 112.675 -179.194 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . 0.451 ' H ' ' HG3' ' C' ' 28' ' ' GLN . 0.0 OUTLIER -93.1 134.44 35.25 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 110.088 -0.338 . . . . 15.23 110.088 179.785 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.74 138.44 77.62 Favored Pre-proline 0 C--N 1.331 -0.238 0 O-C-N 123.316 0.385 . . . . 18.5 111.49 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 30' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -74.91 132.41 27.43 Favored 'Cis proline' 0 C--N 1.348 0.54 0 C-N-CA 123.177 -1.593 . . . . 17.48 112.012 -0.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 31' ' ' LYS . . . . . 0.71 ' HD3' ' HA ' ' B' ' 42' ' ' ASP . 45.1 mtmt -83.9 92.89 7.9 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.033 -0.531 . . . . 17.53 111.512 -179.502 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 32' ' ' PHE . . . . . 0.431 ' CE2' ' HD3' ' C' ' 26' ' ' LYS . 43.7 p90 -91.31 159.69 15.89 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 110.02 -0.363 . . . . 13.5 110.02 178.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 33' ' ' SER . . . . . . . . . . . . . 19.9 m -147.52 115.34 6.44 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.366 -0.379 . . . . 12.36 110.582 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . 0.466 HG13 ' HB2' ' C' ' 24' ' ' LEU . 6.0 pt -131.1 144.03 39.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.135 -0.484 . . . . 10.72 110.722 -179.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 35' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -117.71 138.81 51.76 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.223 -0.444 . . . . 10.54 110.411 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 36' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -153.25 163.86 39.14 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.376 -0.374 . . . . 9.85 110.809 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -106.75 127.6 53.52 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.93 -0.577 . . . . 9.77 109.792 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 38' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -114.18 -168.92 1.43 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.194 -0.457 . . . . 9.82 110.115 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 39' ' ' SER . . . . . 0.404 ' HA ' ' HD3' ' C' ' 40' ' ' PRO . 0.4 OUTLIER -118.76 152.81 51.96 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.448 -0.342 . . . . 11.97 110.217 179.776 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 40' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' C' ' 39' ' ' SER . 16.5 Cg_exo -69.04 -18.78 40.24 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.521 2.147 . . . . 12.89 111.478 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.34 -5.01 59.34 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.718 -0.674 . . . . 14.42 110.915 179.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 42' ' ' ASP . . . . . 0.468 ' O ' ' HG ' ' C' ' 78' ' ' LEU . 75.3 m-20 -86.59 154.86 20.73 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.191 -0.458 . . . . 11.77 110.261 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 21.8 p -109.9 175.68 5.35 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.277 -0.42 . . . . 11.4 109.952 179.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 44' ' ' ILE . . . . . 0.644 HG23 HD12 ' C' ' 65' ' ' LEU . 45.7 mm -60.5 -28.33 42.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.192 0.52 . . . . 7.86 109.867 178.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 47.8 tp -62.23 -35.6 79.43 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.616 -0.72 . . . . 12.88 110.787 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 46' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -63.54 -37.78 88.64 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-N 116.364 -0.38 . . . . 12.18 110.86 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 61.7 mt -65.04 -42.96 95.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 109.492 -0.558 . . . . 8.04 109.492 178.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -61.67 -44.7 96.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.689 -0.687 . . . . 10.51 110.091 179.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -61.32 -42.1 98.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.696 -0.684 . . . . 13.94 109.915 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 50' ' ' HIS . . . . . 0.59 ' O ' ' HG2' ' C' ' 54' ' ' GLU . 3.4 t60 -63.98 -41.28 97.57 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.68 -0.691 . . . . 11.16 110.521 179.504 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 19.5 mt -59.73 -39.84 86.04 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 120.873 0.368 . . . . 12.37 111.572 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 52' ' ' ILE . . . . . . . . . . . . . 61.1 mt -67.81 -37.79 79.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 109.575 -0.528 . . . . 15.35 109.575 178.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 4.8 m -63.94 -31.59 72.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.004 -0.543 . . . . 15.02 111.0 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 54' ' ' GLU . . . . . 0.59 ' HG2' ' O ' ' C' ' 50' ' ' HIS . 4.0 mm-40 -86.56 9.35 18.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.466 -0.334 . . . . 14.38 110.674 179.34 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 56.31 44.38 24.8 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.762 -0.654 . . . . 18.85 112.358 179.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 56' ' ' LYS . . . . . 0.419 ' HD3' ' HA ' ' C' ' 56' ' ' LYS . 32.7 mmtm -115.83 0.33 13.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.25 -0.432 . . . . 14.47 110.933 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -155.43 162.82 40.68 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.915 -0.584 . . . . 15.28 109.645 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 58' ' ' SER . . . . . . . . . . . . . 8.5 t -105.38 -58.82 1.85 Allowed 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.788 -0.365 . . . . 17.75 111.981 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 59' ' ' HIS . . . . . 0.495 ' HB2' ' HG3' ' C' ' 62' ' ' GLU . 98.1 m-70 -118.06 156.07 29.25 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.857 0.36 . . . . 19.22 111.944 -179.136 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 32.8 mm -65.0 -37.05 79.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.538 -0.755 . . . . 13.8 110.832 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.37 -14.55 63.02 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.751 -0.659 . . . . 14.67 112.755 -179.028 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 62' ' ' GLU . . . . . 0.538 ' O ' ' HA ' ' C' ' 94' ' ' ILE . 41.8 mt-10 -89.52 -19.89 24.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.806 0.336 . . . . 16.71 110.71 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 63' ' ' ILE . . . . . . . . . . . . . 11.4 mt -92.12 108.94 20.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 112.625 0.602 . . . . 10.79 112.625 -177.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 64' ' ' LYS . . . . . . . . . . . . . 70.0 tttt -118.54 109.0 15.67 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.825 -0.806 . . . . 9.73 108.825 177.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 65' ' ' LEU . . . . . 0.644 HD12 HG23 ' C' ' 44' ' ' ILE . 80.9 mt -91.86 148.84 21.92 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.215 -0.448 . . . . 5.89 111.708 -178.471 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 66' ' ' LEU . . . . . 0.567 HD21 HG11 ' A' ' 49' ' ' VAL . 3.3 mp -139.96 151.67 45.73 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.01 -0.541 . . . . 7.57 110.968 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 57.2 tp -139.77 110.97 6.98 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.999 -0.546 . . . . 7.44 109.79 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 59.96 27.84 17.28 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 116.148 -0.478 . . . . 12.88 111.497 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 69' ' ' GLY . . . . . 0.464 ' HA2' ' SG ' ' B' ' 53' ' ' CYS . . . 99.28 -22.54 40.26 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.885 -0.674 . . . . 8.93 112.562 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 70' ' ' LYS . . . . . 0.526 ' HE3' ' HA ' ' C' ' 70' ' ' LYS . 0.0 OUTLIER -82.03 122.63 28.06 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.671 0.272 . . . . 9.44 110.736 -179.728 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 71' ' ' VAL . . . . . 0.472 ' HA ' ' HG ' ' C' ' 66' ' ' LEU . 40.9 t -69.28 128.58 32.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.169 -0.469 . . . . 7.05 110.741 179.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 53.2 mt -90.17 108.73 19.92 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.053 -0.522 . . . . 5.9 110.272 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 73' ' ' HIS . . . . . . . . . . . . . 6.4 m170 -82.58 156.1 24.13 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.004 -0.544 . . . . 8.93 111.522 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -57.51 -32.36 66.95 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 113.049 0.759 . . . . 9.91 113.049 -178.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 75' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -77.72 -4.22 45.1 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.659 0.615 . . . . 13.36 112.659 -179.081 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 76' ' ' LEU . . . . . . . . . . . . . 28.0 tp -84.41 134.52 34.47 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.889 0.376 . . . . 9.58 110.737 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -89.44 152.36 21.52 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.784 -0.644 . . . . 14.32 110.313 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 78' ' ' LEU . . . . . 0.532 ' HA ' ' HG ' ' C' ' 81' ' ' LEU . 23.2 mt -68.16 -15.33 63.54 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.208 -0.451 . . . . 9.53 111.185 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.01 -19.49 60.05 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.967 -0.56 . . . . 12.75 110.944 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 80' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.76 0.96 47.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.287 -0.415 . . . . 12.44 111.132 -179.609 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 81' ' ' LEU . . . . . 0.532 ' HG ' ' HA ' ' C' ' 78' ' ' LEU . 33.8 mt -72.71 122.64 21.82 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.526 -0.306 . . . . 10.15 110.64 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 82' ' ' LYS . . . . . . . . . . . . . 27.6 mmtt -82.36 58.12 3.95 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.122 -0.49 . . . . 12.59 109.718 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 5.3 m -97.48 128.28 48.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.965 -0.561 . . . . 11.5 112.134 -179.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 84' ' ' THR . . . . . 0.555 ' HB ' ' HD2' ' C' ' 85' ' ' PRO . 58.5 p -125.26 175.11 3.28 Favored Pre-proline 0 C--N 1.319 -0.752 0 N-CA-C 107.845 -1.169 . . . . 13.96 107.845 179.098 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 85' ' ' PRO . . . . . 0.555 ' HD2' ' HB ' ' C' ' 84' ' ' THR . 54.1 Cg_exo -55.63 -19.44 23.84 Favored 'Trans proline' 0 CA--C 1.533 0.446 0 C-N-CA 122.635 2.223 . . . . 14.91 112.932 179.308 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -87.37 -44.32 11.46 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.145 0.424 . . . . 15.11 112.145 -179.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 87' ' ' ASN . . . . . . . . . . . . . 29.1 p-10 -111.98 46.74 1.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.14 0.495 . . . . 12.35 112.135 -178.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.66 6.14 13.58 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.035 0.445 . . . . 10.32 111.318 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 89' ' ' THR . . . . . 0.569 ' HA ' ' HB ' ' C' ' 23' ' ' THR . 6.3 m -101.33 123.45 45.45 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.121 -0.491 . . . . 9.82 111.249 -179.413 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 90' ' ' ILE . . . . . . . . . . . . . 45.8 mm -95.83 132.06 40.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.377 -0.601 . . . . 6.59 109.377 179.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 91' ' ' THR . . . . . 0.616 HG21 HG21 ' B' ' 49' ' ' VAL . 4.6 m -77.83 115.11 17.33 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.281 -0.418 . . . . 8.75 110.685 -179.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 92' ' ' VAL . . . . . . . . . . . . . 38.8 t -99.46 109.02 23.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.29 -0.414 . . . . 9.58 111.231 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 93' ' ' MET . . . . . 0.504 ' SD ' HD11 ' C' ' 27' ' ' ILE . 21.4 mmm -106.49 122.58 46.58 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.322 -0.622 . . . . 10.9 109.322 178.684 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 94' ' ' ILE . . . . . 0.538 ' HA ' ' O ' ' C' ' 62' ' ' GLU . 84.7 mt -120.41 118.45 56.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 120.83 0.348 . . . . 13.44 110.799 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 95' ' ' LYS . . . . . 0.477 ' HG3' ' OD2' ' A' ' 52' ' ' ASP . 3.4 mmtp . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.111 -0.495 . . . . 14.6 110.856 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.597 0.237 . . . . 10.77 110.45 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 59.64 38.56 21.97 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.552 0.691 . . . . 8.07 109.472 -178.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.4 m -61.93 157.13 19.2 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 114.603 -1.18 . . . . 10.11 111.179 -179.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.7 mtmm -55.88 -42.0 75.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.463 -0.335 . . . . 10.66 111.271 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -65.26 -36.22 83.44 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.261 -0.427 . . . . 11.43 111.531 179.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -59.97 -44.53 94.4 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-O 121.385 0.612 . . . . 8.91 110.017 179.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.4 ' O ' HG13 ' A' ' 26' ' ' ILE . 49.7 mt -76.92 -45.24 31.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.326 -0.852 . . . . 6.35 111.4 -179.336 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.72 -46.52 77.71 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.409 -0.359 . . . . 7.12 111.946 -179.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.72 -39.94 86.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.432 -0.349 . . . . 7.6 111.121 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.532 ' HB3' ' HB2' ' A' ' 79' ' ' LEU . 92.1 mt -69.07 -37.35 78.45 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.329 -0.396 . . . . 5.59 111.451 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 22' ' ' ILE . 92.9 mt -65.23 -54.56 27.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 CA-C-N 116.245 -0.434 . . . . 4.33 111.452 -179.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 20.8 m -64.43 -35.25 73.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.549 -0.296 . . . . 6.96 111.726 -179.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -66.02 -38.85 89.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.087 0.47 . . . . 7.34 110.068 179.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -62.52 -48.36 79.89 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.775 -0.648 . . . . 5.51 110.32 179.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -64.0 -38.06 89.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 6.35 110.878 179.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 49.3 m -64.18 -35.43 80.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 8.01 110.709 178.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.4 m -70.25 -31.7 69.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.122 0.487 . . . . 8.27 110.11 179.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.64 HG23 ' HB2' ' A' ' 38' ' ' GLU . 96.3 mt -65.35 -49.32 79.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.716 -0.674 . . . . 8.37 110.725 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 30.7 m -75.54 -20.05 15.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.581 -0.281 . . . . 9.63 111.577 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -63.8 -54.92 27.54 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.046 -0.525 . . . . 10.98 111.403 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.1 pttp -95.9 14.93 21.85 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.166 0.432 . . . . 11.09 112.166 -179.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.1 tttm 56.48 60.14 3.27 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.668 -0.696 . . . . 11.72 112.242 179.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.64 ' HB2' HG23 ' A' ' 33' ' ' ILE . 57.9 mm-40 -82.51 -24.97 33.85 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.017 -0.538 . . . . 9.58 110.971 179.396 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 15.3 tt -119.91 160.71 20.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.017 -0.538 . . . . 9.5 110.662 -179.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -74.18 163.31 28.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.718 -0.219 . . . . 9.96 110.661 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.425 ' CD ' ' H ' ' A' ' 41' ' ' GLU . 9.5 mp0 -55.86 -34.8 65.79 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.903 0.382 . . . . 11.9 111.239 -179.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -55.74 -37.96 69.16 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.618 -0.719 . . . . 10.3 111.174 179.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -88.51 -27.35 25.09 Favored Glycine 0 N--CA 1.447 -0.581 0 CA-C-N 115.783 -0.644 . . . . 8.47 111.618 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.48 -49.43 76.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.626 0.25 . . . . 8.42 111.268 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -62.65 -32.74 73.84 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.279 0.561 . . . . 9.73 110.484 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 13.3 m -68.27 -42.94 78.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.517 -0.765 . . . . 7.86 110.125 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 94.0 mt -69.9 -32.76 71.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.391 -0.368 . . . . 6.77 110.315 179.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 36.7 t30 -56.3 -50.07 72.46 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.61 -0.723 . . . . 9.39 111.154 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.435 ' HB ' ' HD3' ' C' ' 64' ' ' LYS . 6.6 p -75.46 -39.47 40.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.438 -0.346 . . . . 9.6 111.47 179.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.22 -47.32 86.64 Favored 'General case' 0 C--N 1.333 -0.123 0 N-CA-C 112.035 0.383 . . . . 7.62 112.035 -179.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 13.8 mtm -59.62 -36.67 76.79 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.956 0.354 . . . . 8.19 111.956 -179.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.15 -45.02 93.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.933 0.397 . . . . 11.12 110.406 179.433 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.63 ' HB3' ' HB3' ' B' ' 46' ' ' SER . 57.0 m -67.7 -32.51 73.2 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.015 -0.539 . . . . 9.77 111.077 179.342 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 96.6 mt -70.78 -39.06 75.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 121.194 0.521 . . . . 9.06 109.74 178.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.494 ' HB3' ' O ' ' A' ' 60' ' ' PHE . 25.2 m -62.95 -46.0 89.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.722 -0.672 . . . . 10.96 111.366 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -70.12 -24.32 63.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.936 0.398 . . . . 12.89 111.986 -179.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.3 -33.63 71.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 11.68 111.352 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.403 ' HB2' ' CE1' ' A' ' 60' ' ' PHE . 72.6 m-85 -94.77 -24.0 17.28 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.327 -0.397 . . . . 11.93 111.792 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 96.32 45.6 2.75 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.667 -0.778 . . . . 13.13 113.228 179.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.494 ' O ' ' HB3' ' A' ' 55' ' ' SER . 30.0 p90 -149.97 159.88 44.05 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.839 -0.43 . . . . 12.01 109.839 179.3 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -97.55 144.57 27.1 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.812 0.339 . . . . 14.85 110.724 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 22.6 ttp180 -60.66 -28.96 68.99 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.243 0.544 . . . . 11.66 110.32 179.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -82.53 1.04 39.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.031 -0.531 . . . . 13.0 111.452 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -111.75 11.17 20.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.851 0.358 . . . . 12.82 111.487 -179.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.4 p -59.99 -40.7 83.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.46 -0.336 . . . . 10.88 111.139 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.1 -32.39 73.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.314 -0.403 . . . . 12.04 110.879 179.519 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -71.33 -42.01 57.85 Favored Glycine 0 N--CA 1.448 -0.526 0 N-CA-C 111.53 -0.628 . . . . 12.77 111.53 179.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 59.1 mt -65.53 -41.91 91.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.015 0.436 . . . . 11.54 110.336 179.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 97.3 mt -67.1 -27.79 67.64 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.109 -0.496 . . . . 10.42 111.172 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -73.12 -26.59 70.37 Favored Glycine 0 C--N 1.33 0.234 0 C-N-CA 121.096 -0.573 . . . . 12.46 112.711 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -95.75 -16.23 22.07 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.081 0.467 . . . . 14.12 110.855 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.0 m -96.32 163.66 12.98 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.134 -0.484 . . . . 10.83 110.605 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -87.6 51.69 2.29 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.07 0.462 . . . . 10.68 110.611 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -133.32 35.94 3.43 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.798 -0.637 . . . . 8.37 109.605 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.428 ' H ' ' HG2' ' A' ' 75' ' ' LYS . 1.4 mmmm -57.84 107.38 0.45 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.306 -0.861 . . . . 12.83 112.055 -179.125 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 71.82 16.82 76.44 Favored Glycine 0 N--CA 1.453 -0.2 0 CA-C-N 115.703 -0.681 . . . . 9.82 113.406 179.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.447 ' HB3' HD11 ' A' ' 82' ' ' ILE . 26.7 mm-40 -104.15 144.5 31.49 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 122.687 -0.302 . . . . 8.93 110.679 -179.43 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 4.2 m80 -119.92 153.41 35.94 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.938 -0.393 . . . . 8.72 109.938 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.532 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 47.6 tp -53.13 -38.42 62.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.969 -0.56 . . . . 4.7 112.08 -179.623 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.87 -58.89 6.2 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.275 0.472 . . . . 5.96 112.275 -179.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -62.12 -38.83 90.43 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.424 0.527 . . . . 7.82 112.424 -179.328 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.447 HD11 ' HB3' ' A' ' 77' ' ' GLN . 96.6 mt -62.88 -50.25 80.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.519 0.199 . . . . 5.79 110.89 179.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 16.1 tp -63.28 -36.92 85.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.114 0.483 . . . . 5.97 110.728 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -67.35 -25.02 65.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.76 -0.654 . . . . 9.2 111.043 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.9 m -93.48 3.48 55.49 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.923 0.392 . . . . 7.98 111.467 -179.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -105.99 85.26 2.18 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.085 0.469 . . . . 7.06 110.504 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.53 128.78 37.6 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.883 -0.599 . . . . 9.21 111.176 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -129.53 96.85 4.37 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.885 -0.598 . . . . 9.55 109.667 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 1.6 m -87.96 121.23 70.8 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 116.266 -0.425 . . . . 12.15 111.394 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -76.91 109.59 2.88 Favored 'Trans proline' 0 N--CA 1.461 -0.427 0 C-N-CA 122.767 2.312 . . . . 12.82 111.97 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -94.6 93.03 7.34 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.117 -0.492 . . . . 14.19 110.228 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.656 -0.688 . . . . 15.67 110.554 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 59.6 ttp . . . . . 0 N--CA 1.482 1.16 0 N-CA-C 111.579 0.215 . . . . 11.23 111.579 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 23.4 mmt -75.52 82.07 2.55 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.728 -0.471 . . . . 13.11 109.728 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 72.3 m 67.56 99.18 0.05 Allowed 'General case' 0 C--N 1.332 -0.177 0 O-C-N 123.808 0.693 . . . . 11.45 110.219 -178.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.99 95.81 0.01 OUTLIER 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.81 -0.632 . . . . 8.27 111.938 -179.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 14.4 m -96.14 160.32 14.5 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.412 -0.813 . . . . 9.28 109.989 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -53.72 -41.64 67.23 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.197 0.444 . . . . 8.44 112.197 -179.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -61.37 -44.89 96.4 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 111.844 0.313 . . . . 9.58 111.844 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.684 ' HB3' ' HE2' ' B' ' 74' ' ' PHE . 16.7 mt-10 -62.74 -42.53 99.71 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 120.92 0.39 . . . . 8.61 110.779 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 46.3 mt -70.15 -46.37 72.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.977 -0.556 . . . . 4.87 111.138 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.38 -42.48 77.93 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.189 -0.459 . . . . 4.42 111.673 -179.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.2 -40.38 81.43 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.119 -0.491 . . . . 5.79 110.983 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 80.4 mt -73.38 -36.92 66.13 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.195 -0.457 . . . . 4.52 111.135 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 90.6 mt -62.82 -51.8 67.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.419 -0.355 . . . . 4.37 110.802 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 29.3 m -66.91 -33.05 60.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.78 0.324 . . . . 6.25 111.072 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -66.5 -44.0 83.78 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.27 -0.423 . . . . 6.91 110.163 179.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' TYR . . . . . 0.464 ' O ' HG13 ' B' ' 33' ' ' ILE . 39.7 t80 -57.0 -49.74 74.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.707 -0.679 . . . . 7.07 110.591 179.49 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -61.21 -40.04 92.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.239 -0.437 . . . . 8.36 110.803 179.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 39.0 m -64.15 -43.55 94.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.034 -0.53 . . . . 9.5 110.548 179.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . 0.521 ' HA ' ' HG2' ' B' ' 35' ' ' GLU . 48.8 m -66.01 -19.68 65.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.352 -0.385 . . . . 9.77 111.351 179.407 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.607 HG23 ' HB3' ' B' ' 38' ' ' GLU . 79.6 mt -81.95 -48.43 18.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.312 -0.404 . . . . 11.09 110.036 178.776 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 34.7 m -74.44 -33.76 34.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 113.043 0.757 . . . . 12.38 113.043 -178.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.521 ' HG2' ' HA ' ' B' ' 32' ' ' SER . 9.5 pt-20 -65.4 -28.5 69.3 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 112.284 0.476 . . . . 13.19 112.284 -179.131 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . 0.41 ' HE2' ' HB2' ' B' ' 38' ' ' GLU . 24.3 pttm -103.43 7.95 37.98 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.951 0.405 . . . . 13.7 110.493 179.183 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 53.37 47.42 24.22 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.542 -0.754 . . . . 15.86 112.658 179.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . 0.607 ' HB3' HG23 ' B' ' 33' ' ' ILE . 82.2 tt0 -70.96 -48.99 50.28 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.938 -0.574 . . . . 12.56 109.84 179.503 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 18.2 tt -98.83 153.51 4.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.091 -0.504 . . . . 13.67 109.827 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.28 153.48 43.57 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.689 -0.232 . . . . 15.14 110.598 179.741 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . 0.408 ' HA ' ' HB3' ' B' ' 44' ' ' ALA . 38.6 mp0 -55.23 -30.95 61.04 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 122.874 0.47 . . . . 16.66 112.127 -179.564 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -58.92 -41.28 86.93 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.807 0.337 . . . . 15.52 110.618 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -92.07 -29.09 11.98 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.959 -0.639 . . . . 13.17 112.149 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . 0.408 ' HB3' ' HA ' ' B' ' 41' ' ' GLU . . . -62.47 -33.14 74.26 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.757 0.313 . . . . 12.42 110.623 179.74 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.39 -47.95 83.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.743 -0.662 . . . . 13.38 110.144 179.318 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . 0.63 ' HB3' ' HB3' ' A' ' 53' ' ' CYS . 1.6 m -63.37 -39.96 95.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.682 -0.69 . . . . 11.72 110.802 179.701 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 89.8 mt -65.45 -37.12 85.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.887 0.375 . . . . 9.64 110.875 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -64.61 -48.57 74.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.975 -0.557 . . . . 11.12 111.426 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 27.3 m -69.16 -36.76 74.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 112.031 0.382 . . . . 10.04 112.031 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.44 -34.61 78.33 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.51 -0.552 . . . . 8.26 109.51 178.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 32.9 ttm -62.34 -35.95 80.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.366 -0.834 . . . . 7.93 110.002 178.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -64.07 -44.34 92.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.828 -0.624 . . . . 9.48 110.16 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 74.0 m -58.45 -43.67 88.91 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.773 -0.648 . . . . 8.11 110.628 179.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 88.6 mt -62.31 -46.43 96.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.888 -0.597 . . . . 6.13 110.056 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . 0.575 ' HA ' ' CE1' ' B' ' 60' ' ' PHE . 13.7 m -62.14 -45.99 91.0 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.704 -0.68 . . . . 7.39 111.536 -179.784 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -66.62 -41.34 88.5 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.373 -0.376 . . . . 8.81 111.919 -179.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.13 -35.96 82.48 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.56 0.578 . . . . 7.38 112.56 -179.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -88.36 -17.49 30.46 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.19 0.441 . . . . 8.09 112.19 -179.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.47 53.59 3.04 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.877 -0.677 . . . . 9.43 113.561 179.061 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . 0.575 ' CE1' ' HA ' ' B' ' 55' ' ' SER . 14.8 p90 -160.14 164.29 33.07 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 110.026 -0.361 . . . . 8.7 110.026 179.273 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . 0.457 ' OE1' ' HD3' ' B' ' 62' ' ' ARG . 2.7 mm-40 -120.2 168.02 11.66 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.612 0.244 . . . . 11.16 110.893 179.207 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . 0.457 ' HD3' ' OE1' ' B' ' 61' ' ' GLU . 0.6 OUTLIER -62.54 -32.37 73.31 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.016 -0.538 . . . . 10.74 111.911 -179.078 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . 0.5 ' HA ' ' OE1' ' B' ' 63' ' ' GLU . 3.0 tp10 -72.13 -9.19 58.09 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.858 0.361 . . . . 11.8 111.898 -179.23 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -95.47 -10.03 30.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.367 -0.378 . . . . 10.53 111.385 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 5.5 p -60.27 -37.14 72.68 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 N-CA-C 112.181 0.437 . . . . 9.11 112.181 -178.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.21 -34.53 77.85 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.027 0.441 . . . . 10.71 110.876 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -82.02 -36.1 19.43 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.813 -0.708 . . . . 11.05 111.82 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 98.1 mt -65.76 -47.14 86.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 110.315 -0.254 . . . . 9.74 110.315 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 75.6 mt -60.54 -26.9 67.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.34 -0.391 . . . . 9.17 111.207 179.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -74.33 -41.2 38.51 Favored Glycine 0 N--CA 1.45 -0.429 0 N-CA-C 111.33 -0.708 . . . . 11.56 111.33 179.149 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 55.6 mttp -73.94 -45.72 48.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.098 0.475 . . . . 12.46 110.276 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 25.1 m -70.94 158.35 36.61 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.365 -0.834 . . . . 9.82 110.329 179.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -89.6 51.99 2.23 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.237 0.541 . . . . 10.24 111.524 -179.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.684 ' HE2' ' HB3' ' B' ' 21' ' ' GLU . 44.4 m-85 -134.0 15.07 3.9 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.646 -0.707 . . . . 7.68 109.865 179.37 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 6.5 pttm -65.99 128.0 34.31 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.327 -0.851 . . . . 11.56 111.046 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 85.03 8.15 82.62 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.869 -0.681 . . . . 8.65 111.567 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -132.18 150.6 52.12 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.734 0.302 . . . . 7.58 110.255 -179.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 26.5 m80 -116.02 165.01 13.6 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.953 -0.758 . . . . 7.9 108.953 178.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 45.7 tp -55.16 -42.12 72.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.986 0.422 . . . . 4.14 111.857 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.82 -40.23 96.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 5.79 111.737 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -60.59 -52.41 65.26 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.001 0.429 . . . . 6.75 111.118 -179.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 19.7 mt -60.34 -44.56 96.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.613 -0.721 . . . . 4.76 111.459 -179.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 86.1 mt -71.13 -18.26 62.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.363 -0.38 . . . . 5.48 111.656 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -77.51 -45.68 24.75 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.429 -0.582 . . . . 7.63 109.429 178.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.25 -28.09 67.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.847 -0.615 . . . . 6.84 110.884 179.18 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -73.4 90.32 1.68 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.112 -0.495 . . . . 6.55 110.643 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 1.4 m -112.99 54.23 0.73 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.924 -0.58 . . . . 8.4 110.859 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 33.4 ttt180 -76.24 134.72 39.75 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.255 -0.646 . . . . 10.35 109.255 179.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 4.9 t -96.34 109.75 49.1 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 116.577 -0.283 . . . . 11.96 110.969 -179.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo . . . . . 0 C--O 1.236 0.411 0 C-N-CA 122.611 2.207 . . . . 13.1 111.423 179.624 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 20' ' ' VAL . . . . . 0.471 HG12 ' HG ' ' C' ' 22' ' ' LEU . 17.8 t . . . . . 0 C--O 1.233 0.219 0 CA-C-O 121.014 0.435 . . . . 9.95 110.702 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 21' ' ' HIS . . . . . . . . . . . . . 40.6 t60 -80.51 105.53 11.83 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.791 -0.64 . . . . 9.34 110.118 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 22' ' ' LEU . . . . . 0.471 ' HG ' HG12 ' C' ' 20' ' ' VAL . 86.8 mt -114.88 146.98 40.53 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.955 0.407 . . . . 6.88 111.893 -179.409 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 23' ' ' THR . . . . . 0.465 HG23 ' HG2' ' C' ' 35' ' ' GLU . 3.2 m -107.98 116.11 31.36 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.367 -0.833 . . . . 8.91 109.303 178.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 24' ' ' LEU . . . . . . . . . . . . . 35.5 mt -99.97 115.95 30.89 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.688 0.28 . . . . 8.66 110.601 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 25' ' ' LYS . . . . . 0.617 ' HA ' ' O ' ' C' ' 32' ' ' PHE . 6.7 tttt -130.34 132.53 45.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.326 -0.397 . . . . 13.38 112.052 -179.707 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 26' ' ' LYS . . . . . 0.418 ' HA ' ' O ' ' C' ' 92' ' ' VAL . 24.9 ttpp -91.79 138.49 31.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 14.09 110.018 178.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 27' ' ' ILE . . . . . 0.486 HD11 ' HG2' ' C' ' 93' ' ' MET . 12.1 pt -78.03 -42.35 27.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 113.078 0.77 . . . . 14.88 113.078 -179.032 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 19.3 mp0 -83.21 137.82 33.88 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.994 -0.283 . . . . 15.23 111.395 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . 0.463 ' HA ' ' C ' ' C' ' 30' ' ' PRO . . . -66.65 145.44 98.94 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.044 -0.526 . . . . 18.5 111.342 179.656 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 30' ' ' PRO . . . . . 0.463 ' C ' ' HA ' ' C' ' 29' ' ' ALA . 51.6 Cg_endo -70.82 137.3 45.56 Favored 'Cis proline' 0 C--N 1.347 0.449 0 C-N-CA 123.254 -1.561 . . . . 17.48 111.563 0.301 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 24.3 mttm -91.02 148.66 22.24 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.157 -0.474 . . . . 17.53 110.184 -179.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 32' ' ' PHE . . . . . 0.617 ' O ' ' HA ' ' C' ' 25' ' ' LYS . 43.3 p90 -147.31 150.16 34.23 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.685 -0.487 . . . . 13.5 109.685 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 33' ' ' SER . . . . . . . . . . . . . 42.5 m -133.38 90.29 2.71 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 120.931 0.396 . . . . 12.36 110.123 179.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 42.4 pt -103.71 144.24 14.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.192 -0.458 . . . . 10.72 110.446 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 35' ' ' GLU . . . . . 0.465 ' HG2' HG23 ' C' ' 23' ' ' THR . 26.3 mt-10 -119.91 156.42 30.79 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.634 0.254 . . . . 10.54 110.99 -179.436 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 36' ' ' HIS . . . . . . . . . . . . . 26.1 t60 -165.8 145.63 6.45 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.086 -0.506 . . . . 9.85 110.169 178.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -96.46 114.62 26.3 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.282 -0.417 . . . . 9.77 110.219 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 38' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -107.07 -173.95 2.42 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.397 -0.365 . . . . 9.82 110.973 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -110.31 150.2 41.24 Favored Pre-proline 0 C--N 1.328 -0.352 0 N-CA-C 109.837 -0.431 . . . . 11.97 109.837 179.699 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -65.61 -17.44 56.94 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 122.38 2.053 . . . . 12.89 112.213 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.91 -8.49 59.68 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.959 -0.564 . . . . 14.42 110.853 179.647 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -84.34 157.1 21.59 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.939 -0.573 . . . . 11.77 109.976 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 32.8 p -111.8 173.92 6.12 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.222 -0.445 . . . . 11.4 110.108 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 44' ' ' ILE . . . . . 0.721 HD11 HD21 ' C' ' 81' ' ' LEU . 46.3 mm -58.74 -27.08 33.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.176 0.512 . . . . 7.86 110.38 179.181 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 45' ' ' LEU . . . . . 0.784 ' HG ' ' HB3' ' C' ' 74' ' ' ASP . 0.7 OUTLIER -60.14 -37.16 79.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.865 -0.607 . . . . 12.88 110.635 179.239 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 46' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -65.08 -36.74 85.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.011 0.434 . . . . 12.18 110.534 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 61.1 mt -65.92 -43.53 92.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.94 -0.573 . . . . 8.04 109.536 179.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -61.98 -43.95 97.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.946 -0.57 . . . . 10.51 109.953 178.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -60.94 -41.46 96.32 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.874 -0.603 . . . . 13.94 109.841 178.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 50' ' ' HIS . . . . . 0.48 ' O ' ' HG2' ' C' ' 54' ' ' GLU . 77.3 t60 -60.43 -42.21 95.61 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.734 -0.666 . . . . 11.16 110.491 179.375 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 43.9 mt -62.31 -35.52 79.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 12.37 110.768 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 52' ' ' ILE . . . . . . . . . . . . . 81.5 mt -70.1 -42.62 79.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.176 -0.465 . . . . 15.35 110.566 179.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 1.6 p -67.19 -24.45 65.86 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.89 0.376 . . . . 15.02 111.228 179.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 54' ' ' GLU . . . . . 0.48 ' HG2' ' O ' ' C' ' 50' ' ' HIS . 17.6 mm-40 -87.74 8.8 23.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.304 -0.407 . . . . 14.38 110.393 179.14 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 59.14 39.87 22.51 Favored 'General case' 0 C--N 1.334 -0.085 0 CA-C-N 115.781 -0.645 . . . . 18.85 112.079 179.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 27.9 mmtm -108.1 -15.72 14.44 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.905 -0.589 . . . . 14.47 110.538 179.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -151.77 174.77 13.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.06 -0.518 . . . . 15.28 109.828 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 58' ' ' SER . . . . . . . . . . . . . 74.1 m -120.86 -55.01 2.01 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.303 0.483 . . . . 17.75 112.303 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 59' ' ' HIS . . . . . 0.496 ' HB2' ' HG3' ' C' ' 62' ' ' GLU . 90.9 m-70 -107.8 158.93 16.9 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.941 0.4 . . . . 19.22 111.604 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 31.8 mm -70.85 -40.41 76.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.78 -0.645 . . . . 13.8 111.667 -179.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 1.5 m -69.45 -18.07 63.69 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.671 0.619 . . . . 14.67 112.671 -178.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 62' ' ' GLU . . . . . 0.496 ' HG3' ' HB2' ' C' ' 59' ' ' HIS . 55.3 mt-10 -75.35 -25.19 57.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.859 0.362 . . . . 16.71 110.856 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 63' ' ' ILE . . . . . . . . . . . . . 5.8 mt -96.32 118.29 42.35 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 CA-C-N 115.765 -0.652 . . . . 10.79 112.171 -178.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 64' ' ' LYS . . . . . 0.435 ' HD3' ' HB ' ' A' ' 49' ' ' VAL . 64.1 tttt -120.35 106.55 11.97 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.164 -1.05 . . . . 9.73 108.164 177.315 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 65' ' ' LEU . . . . . 0.666 HD12 HG23 ' C' ' 44' ' ' ILE . 76.7 mt -85.51 147.03 26.64 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.38 -0.373 . . . . 5.89 111.761 -178.365 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 66' ' ' LEU . . . . . 0.554 ' HB2' ' HB ' ' C' ' 91' ' ' THR . 4.3 mp -136.46 144.58 44.46 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.043 -0.526 . . . . 7.57 110.252 179.558 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 67' ' ' LEU . . . . . 0.548 ' HB3' HD21 ' C' ' 72' ' ' LEU . 66.8 tp -141.28 113.79 8.21 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.427 -0.351 . . . . 7.44 110.182 179.197 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 68' ' ' LYS . . . . . 0.402 ' HB3' ' HE3' ' C' ' 68' ' ' LYS . 0.1 OUTLIER 57.3 38.63 28.65 Favored 'General case' 0 N--CA 1.465 0.283 0 O-C-N 123.646 0.591 . . . . 12.88 111.247 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 87.81 -24.9 9.37 Favored Glycine 0 N--CA 1.449 -0.469 0 CA-C-N 115.84 -0.618 . . . . 8.93 113.027 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 70' ' ' LYS . . . . . 0.436 ' HE3' ' HA ' ' C' ' 70' ' ' LYS . 0.1 OUTLIER -82.96 119.3 24.26 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.813 0.339 . . . . 9.44 111.149 -179.576 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 71' ' ' VAL . . . . . . . . . . . . . 44.2 t -67.75 130.04 32.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.042 -0.526 . . . . 7.05 109.947 178.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 72' ' ' LEU . . . . . 0.548 HD21 ' HB3' ' C' ' 67' ' ' LEU . 46.9 mt -91.05 126.02 36.02 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.069 -0.514 . . . . 5.9 110.14 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 73' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -101.99 157.29 16.97 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.034 -0.53 . . . . 8.93 111.145 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 74' ' ' ASP . . . . . 0.784 ' HB3' ' HG ' ' C' ' 45' ' ' LEU . 0.9 OUTLIER -56.55 -31.75 64.48 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.009 -0.541 . . . . 9.91 112.269 -178.917 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 75' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -85.96 30.83 0.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.493 0.553 . . . . 13.36 112.493 -178.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 76' ' ' LEU . . . . . . . . . . . . . 20.6 tp -119.98 134.84 55.12 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.812 -0.44 . . . . 9.58 109.812 179.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -85.72 154.81 21.38 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.231 -0.44 . . . . 14.32 110.521 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 78' ' ' LEU . . . . . 0.433 ' HA ' ' HG ' ' C' ' 81' ' ' LEU . 14.8 mt -65.32 -25.45 67.62 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.079 0.4 . . . . 9.53 112.079 -179.058 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 79' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.73 -17.54 63.46 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.996 0.427 . . . . 12.75 111.2 179.527 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 80' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -87.78 -12.18 45.87 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 116.13 -0.486 . . . . 12.44 110.83 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 81' ' ' LEU . . . . . 0.721 HD21 HD11 ' C' ' 44' ' ' ILE . 63.9 mt -69.53 126.33 29.43 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.075 -0.511 . . . . 10.15 110.868 -179.611 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 82' ' ' LYS . . . . . . . . . . . . . 67.9 mmtt -81.97 66.43 7.54 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.111 -0.495 . . . . 12.59 109.871 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 7.6 m -101.78 124.95 55.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 121.454 0.645 . . . . 11.5 111.874 -179.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 84' ' ' THR . . . . . 0.493 ' HB ' ' HD2' ' C' ' 85' ' ' PRO . 71.2 p -119.48 173.29 3.64 Favored Pre-proline 0 C--N 1.319 -0.728 0 N-CA-C 108.478 -0.934 . . . . 13.96 108.478 179.661 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 85' ' ' PRO . . . . . 0.493 ' HD2' ' HB ' ' C' ' 84' ' ' THR . 51.5 Cg_exo -58.32 -22.79 59.64 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 121.981 1.787 . . . . 14.91 110.751 178.291 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -85.49 -57.22 3.15 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 115.534 -0.757 . . . . 15.11 110.933 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 87' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -109.38 86.03 2.21 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.582 0.586 . . . . 12.35 112.582 -179.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 88' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -115.25 9.49 15.76 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.45 0.643 . . . . 10.32 110.275 178.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 89' ' ' THR . . . . . 0.426 ' HA ' ' HB ' ' C' ' 23' ' ' THR . 3.6 m -93.29 132.72 37.23 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.594 -0.73 . . . . 9.82 111.264 -179.313 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 90' ' ' ILE . . . . . 0.515 HD13 HD13 ' C' ' 67' ' ' LEU . 39.5 mm -104.48 132.66 50.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 109.301 -0.629 . . . . 6.59 109.301 179.608 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 91' ' ' THR . . . . . 0.554 ' HB ' ' HB2' ' C' ' 66' ' ' LEU . 18.9 m -78.6 117.77 20.08 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.502 -0.317 . . . . 8.75 110.56 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 92' ' ' VAL . . . . . 0.418 ' O ' ' HA ' ' C' ' 26' ' ' LYS . 52.7 t -101.19 104.69 16.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.241 -0.436 . . . . 9.58 110.674 179.629 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 93' ' ' MET . . . . . 0.486 ' HG2' HD11 ' C' ' 27' ' ' ILE . 4.8 tmm? -107.0 118.04 35.64 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.734 -0.839 . . . . 10.9 108.734 178.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 94' ' ' ILE . . . . . 0.412 ' HA ' ' O ' ' C' ' 62' ' ' GLU . 76.8 mt -118.79 126.99 75.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.874 0.368 . . . . 13.44 111.34 -179.297 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 95' ' ' LYS . . . . . . . . . . . . . 21.6 mmtp . . . . . 0 C--N 1.324 -0.511 0 CA-C-N 115.916 -0.584 . . . . 14.6 109.705 179.208 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.8 m . . . . . 0 C--O 1.234 0.246 0 N-CA-C 111.962 0.356 . . . . 10.77 111.962 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 56.93 64.49 1.63 Allowed 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.304 0.573 . . . . 8.07 110.318 -179.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 m -64.55 169.98 4.39 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.321 -0.854 . . . . 10.11 112.575 -178.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 39.0 mmtm -53.77 -46.88 71.1 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.706 -0.679 . . . . 10.66 111.96 -179.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.4 pm0 -67.12 -35.34 79.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.354 -0.385 . . . . 11.43 111.917 -179.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -65.11 -43.11 93.07 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.138 0.494 . . . . 8.91 110.325 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.619 HG12 HD23 ' B' ' 83' ' ' LEU . 63.9 mt -69.31 -43.99 80.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.834 -0.621 . . . . 6.35 109.966 179.042 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.455 ' HA ' HD12 ' A' ' 26' ' ' ILE . . . -61.47 -35.57 78.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.895 -0.593 . . . . 7.12 111.133 179.698 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.0 -41.6 92.43 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.877 -0.601 . . . . 7.6 110.451 179.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.629 HD12 HD21 ' B' ' 83' ' ' LEU . 25.3 mt -70.94 -32.6 69.56 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.298 -0.41 . . . . 5.59 111.05 179.572 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.455 HD12 ' HA ' ' A' ' 23' ' ' ALA . 91.4 mt -64.5 -52.18 58.46 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-N 116.069 -0.514 . . . . 4.33 110.111 179.537 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.2 m -67.09 -33.91 66.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.973 0.416 . . . . 6.96 110.715 179.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -63.94 -38.98 93.06 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.937 -0.574 . . . . 7.34 109.521 178.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.529 ' O ' HG13 ' A' ' 33' ' ' ILE . 37.0 t80 -62.34 -52.14 64.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.802 -0.636 . . . . 5.51 110.03 179.112 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -57.01 -42.92 81.2 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.092 -0.504 . . . . 6.35 110.728 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.503 ' O ' ' HG2' ' A' ' 35' ' ' GLU . 20.4 m -62.6 -44.21 96.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.944 -0.571 . . . . 8.01 110.821 179.656 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 17.3 m -63.01 -34.95 78.65 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.338 -0.392 . . . . 8.27 111.239 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.529 HG13 ' O ' ' A' ' 29' ' ' TYR . 84.2 mt -63.28 -46.42 95.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.498 -0.319 . . . . 8.37 110.66 179.506 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.419 HG22 ' O ' ' A' ' 31' ' ' SER . 5.3 m -72.09 -18.43 19.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 112.149 0.425 . . . . 9.63 112.149 -179.321 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.503 ' HG2' ' O ' ' A' ' 31' ' ' SER . 34.4 mm-40 -71.43 -35.95 71.11 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.109 0.481 . . . . 10.98 110.476 179.383 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.8 pttt -105.55 6.91 32.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.953 -0.567 . . . . 11.09 111.119 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 52.4 45.88 27.7 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 115.795 -0.639 . . . . 11.72 111.45 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -80.21 9.32 5.82 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.994 -0.548 . . . . 9.58 111.706 -179.39 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 9.5 tp -147.87 157.67 8.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.217 -0.66 . . . . 9.5 109.217 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.56 151.16 45.32 Favored 'General case' 0 N--CA 1.451 -0.405 0 O-C-N 123.117 0.26 . . . . 9.96 110.434 179.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -52.93 -42.52 65.49 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.435 -0.348 . . . . 11.9 111.55 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.59 -39.01 86.52 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.157 -0.474 . . . . 10.3 111.192 179.648 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.12 -43.0 49.54 Favored Glycine 0 N--CA 1.447 -0.584 0 N-CA-C 110.932 -0.867 . . . . 8.47 110.932 179.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.6 -37.16 80.48 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.115 0.483 . . . . 8.42 109.996 179.044 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.637 ' OD2' ' HA ' ' C' ' 70' ' ' LYS . 22.8 t70 -59.66 -48.73 80.53 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.327 -0.851 . . . . 9.73 109.92 178.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 50.8 m -65.92 -37.45 86.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.88 -0.6 . . . . 7.86 111.281 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 63.6 mt -65.38 -36.68 84.72 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.811 0.339 . . . . 6.77 111.003 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 -68.69 -43.6 75.73 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.053 -0.521 . . . . 9.39 111.811 -179.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.881 HG21 ' HA2' ' C' ' 69' ' ' GLY . 9.6 m -65.69 -36.71 78.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 120.895 0.378 . . . . 9.6 111.062 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.455 ' O ' HG13 ' A' ' 54' ' ' ILE . . . -70.59 -38.85 74.06 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.99 -0.55 . . . . 7.62 109.64 179.278 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 30.5 ttm -58.49 -43.03 88.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.506 -0.77 . . . . 8.19 110.403 179.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -61.54 -39.83 92.49 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.96 -0.564 . . . . 11.12 110.751 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 34.9 m -67.61 -32.55 73.35 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.122 -0.49 . . . . 9.77 111.425 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.455 HG13 ' O ' ' A' ' 50' ' ' ALA . 97.3 mt -62.87 -43.11 98.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 9.06 110.491 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.33 -45.01 88.92 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.858 -0.61 . . . . 10.96 111.053 179.682 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.424 ' H ' ' HG2' ' A' ' 56' ' ' GLU . 2.9 mm-40 -65.89 -36.66 84.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.912 -0.585 . . . . 12.89 111.108 -179.679 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.76 -49.86 69.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 11.68 112.222 -179.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.41 ' HB2' ' CD1' ' A' ' 60' ' ' PHE . 91.5 m-85 -81.21 -12.86 59.05 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.274 0.472 . . . . 11.93 112.274 -179.008 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 77.11 49.83 7.25 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.696 -0.764 . . . . 13.13 113.175 179.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.41 ' CD1' ' HB2' ' A' ' 58' ' ' PHE . 24.4 p90 -146.6 152.11 38.39 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.663 -0.495 . . . . 12.01 109.663 179.206 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -74.92 135.28 41.45 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.875 0.369 . . . . 14.85 110.982 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.413 ' HE ' ' HB3' ' A' ' 62' ' ' ARG . 10.4 ttp180 -58.64 -42.42 88.26 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.875 -0.602 . . . . 11.66 110.926 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 29.0 mp0 -81.38 3.92 22.64 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.042 -0.527 . . . . 13.0 111.746 -179.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -102.26 8.51 40.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.173 0.511 . . . . 12.82 110.606 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.3 p -58.99 -39.8 79.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.497 -0.774 . . . . 10.88 111.606 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -64.77 -36.93 85.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.817 0.342 . . . . 12.04 110.997 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -64.0 -42.17 98.32 Favored Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 111.642 -0.583 . . . . 12.77 111.642 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 60.4 mt -70.11 -52.52 29.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 110.046 -0.353 . . . . 11.54 110.046 179.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.437 ' O ' ' HB3' ' A' ' 75' ' ' LYS . 27.2 mt -57.0 -35.12 68.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 10.42 112.114 -179.61 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -58.66 -28.5 62.83 Favored Glycine 0 CA--C 1.519 0.331 0 C-N-CA 121.283 -0.484 . . . . 12.46 113.326 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -108.99 13.26 24.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.029 0.443 . . . . 14.12 110.812 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 46.6 m -103.57 166.43 10.43 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.096 -0.502 . . . . 10.83 110.71 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.432 ' H ' ' HG2' ' A' ' 73' ' ' GLU . 6.6 pt-20 -74.31 -21.92 59.5 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.152 -0.476 . . . . 10.68 110.876 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -93.62 34.64 1.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.994 -0.548 . . . . 8.37 111.34 -179.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.437 ' HB2' ' HE3' ' A' ' 75' ' ' LYS . 17.1 ptmt -79.12 135.37 36.82 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.345 -0.389 . . . . 12.83 111.258 -179.713 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 75.0 17.5 80.26 Favored Glycine 0 N--CA 1.449 -0.472 0 CA-C-N 115.752 -0.658 . . . . 9.82 112.465 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.414 ' HB2' HD11 ' A' ' 82' ' ' ILE . 26.7 mm-40 -125.07 170.59 11.03 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 110.147 -0.316 . . . . 8.93 110.147 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 24.8 m80 -130.61 154.34 47.96 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.028 -0.73 . . . . 8.72 109.028 179.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 20.4 tp -59.46 -27.93 66.53 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.963 0.411 . . . . 4.7 111.11 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.09 -59.43 3.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.082 -0.508 . . . . 5.96 111.905 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.81 -40.86 94.31 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 112.898 0.703 . . . . 7.82 112.898 -179.114 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.414 HD11 ' HB2' ' A' ' 77' ' ' GLN . 86.8 mt -61.25 -48.26 89.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 120.745 0.307 . . . . 5.79 111.344 179.647 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.9 mp -71.07 -27.77 63.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.284 -0.416 . . . . 5.97 111.738 -179.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -73.56 -33.02 64.47 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.154 0.502 . . . . 9.2 110.462 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.8 m -82.12 -10.79 59.06 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.921 -0.582 . . . . 7.98 110.918 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -77.66 93.61 4.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.911 -0.586 . . . . 7.06 110.411 179.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.504 ' HA ' ' SD ' ' B' ' 14' ' ' MET . 0.9 OUTLIER -69.77 113.71 7.28 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.68 -0.691 . . . . 9.21 111.006 -179.819 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -125.56 112.85 16.67 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.116 -0.493 . . . . 9.55 109.917 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 16.0 t -101.6 120.95 52.97 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 116.19 -0.459 . . . . 12.15 110.379 -179.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.566 ' HD3' ' HB3' ' B' ' 73' ' ' GLU . 46.8 Cg_endo -70.09 87.59 0.59 Allowed 'Trans proline' 0 C--O 1.234 0.318 0 C-N-CA 122.554 2.169 . . . . 12.82 111.968 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -80.41 73.26 7.3 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.924 -0.58 . . . . 14.19 110.725 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.252 1.194 0 CA-C-O 118.58 -0.724 . . . . 15.67 110.124 179.906 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' MET . . . . . 0.504 ' SD ' ' HA ' ' A' ' 87' ' ' SER . 34.6 ttp . . . . . 0 N--CA 1.484 1.234 0 CA-C-O 120.309 0.1 . . . . 11.23 110.938 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 22.7 mmt -61.79 94.03 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.549 -0.296 . . . . 13.11 110.388 179.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 15.2 m 61.35 75.61 0.4 Allowed 'General case' 0 C--O 1.232 0.142 0 O-C-N 123.653 0.596 . . . . 11.45 109.861 -178.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -41.66 100.34 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.406 0 O-C-N 123.984 0.803 . . . . 8.27 112.643 -179.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 1.3 m -84.77 166.53 16.88 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.175 -0.92 . . . . 9.28 111.2 -179.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 1.1 mppt? -59.05 -42.17 89.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.075 -0.512 . . . . 8.44 111.376 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 7.4 pm0 -65.55 -36.64 84.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.478 -0.328 . . . . 9.58 111.595 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -61.88 -49.54 75.82 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 120.997 0.427 . . . . 8.61 110.114 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 67.8 mt -68.55 -40.98 82.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.509 -0.769 . . . . 4.87 111.0 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.95 -41.96 88.69 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.266 -0.424 . . . . 4.42 111.126 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.4 -40.21 93.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.05 -0.523 . . . . 5.79 110.557 179.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 87.5 mt -70.04 -34.16 72.88 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.198 -0.455 . . . . 4.52 110.696 179.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 96.0 mt -64.63 -52.42 54.97 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 CA-C-N 116.031 -0.531 . . . . 4.37 110.58 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 16.9 m -66.35 -32.95 60.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.447 -0.342 . . . . 6.25 110.893 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -64.94 -40.97 95.85 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.413 -0.588 . . . . 6.91 109.413 178.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -61.44 -49.97 74.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.574 -0.739 . . . . 7.07 110.306 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -62.79 -40.5 97.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 8.36 110.919 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 50.4 m -62.98 -36.1 82.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.401 -0.363 . . . . 9.5 110.681 179.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . 0.525 ' HA ' ' HG2' ' B' ' 35' ' ' GLU . 44.7 m -69.84 -25.66 63.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 9.77 110.754 179.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.839 HG23 ' HB2' ' B' ' 38' ' ' GLU . 95.5 mt -78.99 -44.59 24.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.304 -0.407 . . . . 11.09 110.771 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 34.1 m -74.45 -31.31 27.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 113.229 0.826 . . . . 12.38 113.229 -178.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.525 ' HG2' ' HA ' ' B' ' 32' ' ' SER . 5.3 pt-20 -58.78 -39.73 81.92 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.448 0.536 . . . . 13.19 112.448 -179.384 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . 0.442 ' N ' ' HG3' ' B' ' 35' ' ' GLU . 14.2 pttm -111.1 19.16 18.69 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.9 0.381 . . . . 13.7 111.34 -179.659 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 78.0 tttt 43.7 70.35 0.32 Allowed 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 113.929 1.085 . . . . 15.86 113.929 179.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . 0.839 ' HB2' HG23 ' B' ' 33' ' ' ILE . 45.0 mt-10 -86.42 -10.11 54.94 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.298 0.57 . . . . 12.56 109.938 178.673 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . 0.419 HG23 ' HB2' ' B' ' 44' ' ' ALA . 20.1 tt -137.27 152.32 27.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.481 -0.781 . . . . 13.67 109.978 -179.395 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.41 163.8 20.06 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.649 -0.25 . . . . 15.14 111.309 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . 0.401 ' O ' ' HB3' ' B' ' 45' ' ' ASP . 49.7 mp0 -57.74 -29.66 64.95 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 116.501 -0.318 . . . . 16.66 111.779 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.36 -27.87 62.67 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.417 -0.356 . . . . 15.52 111.013 179.598 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -108.45 -39.53 1.76 Allowed Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.971 -0.633 . . . . 13.17 111.781 178.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . 0.419 ' HB2' HG23 ' B' ' 39' ' ' ILE . . . -60.82 -50.93 71.46 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.427 0.529 . . . . 12.42 112.427 -179.301 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . 0.401 ' HB3' ' O ' ' B' ' 41' ' ' GLU . 1.1 t70 -60.78 -30.97 70.36 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.445 0.641 . . . . 13.38 111.264 -179.464 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 1.5 m -73.82 -21.83 60.0 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.774 -0.648 . . . . 11.72 110.85 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 95.3 mt -80.47 -27.7 37.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.097 -0.502 . . . . 9.64 110.893 179.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -57.86 -43.95 86.26 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.161 -0.472 . . . . 11.12 111.004 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 13.6 p -79.43 -30.28 13.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.998 0.428 . . . . 10.04 110.717 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.19 -47.74 78.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.164 -0.471 . . . . 8.26 110.883 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 68.1 mtm -61.56 -36.17 79.86 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.14 -0.482 . . . . 7.93 110.774 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -60.54 -48.59 81.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.853 -0.612 . . . . 9.48 109.894 179.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 36.7 m -62.38 -39.82 94.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.58 -0.736 . . . . 8.11 110.97 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 97.8 mt -63.43 -39.49 85.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.3 -0.409 . . . . 6.13 110.458 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . 0.515 ' HA ' ' CE1' ' B' ' 60' ' ' PHE . 19.4 m -59.23 -48.14 82.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.847 -0.615 . . . . 7.39 111.194 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -73.56 -25.89 60.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.281 -0.418 . . . . 8.81 111.462 -179.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.1 -43.51 87.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.267 -0.424 . . . . 7.38 111.935 -179.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -91.66 -11.82 35.93 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.966 0.412 . . . . 8.09 111.415 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.09 51.39 5.05 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.776 -0.726 . . . . 9.43 112.808 179.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . 0.515 ' CE1' ' HA ' ' B' ' 55' ' ' SER . 36.9 p90 -139.54 147.33 41.06 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.83 0.348 . . . . 8.7 110.775 179.122 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -73.25 136.46 44.62 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.986 -0.552 . . . . 11.16 110.846 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 18.5 ttp180 -66.73 -27.77 67.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.204 0.526 . . . . 10.74 110.098 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -89.73 6.94 39.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.795 -0.639 . . . . 11.8 110.838 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -111.73 17.23 20.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.415 -0.357 . . . . 10.53 111.093 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 3.2 p -58.94 -46.45 91.44 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-N 116.247 -0.433 . . . . 9.11 111.844 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 1.2 m -69.25 -24.34 63.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.058 0.456 . . . . 10.71 110.603 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -69.0 -41.16 82.99 Favored Glycine 0 N--CA 1.446 -0.64 0 N-CA-C 111.332 -0.707 . . . . 11.05 111.332 179.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 56.1 mt -69.95 -45.17 77.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 109.766 -0.457 . . . . 9.74 109.766 179.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 96.9 mt -62.91 -31.18 72.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.948 -0.569 . . . . 9.17 110.627 179.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -77.66 -21.04 72.96 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.83 -0.7 . . . . 11.56 111.652 179.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 17.0 tttp -85.33 -59.88 2.19 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.792 0.33 . . . . 12.46 110.218 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 1.2 m -71.0 166.85 20.46 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.074 -0.512 . . . . 9.82 110.549 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.566 ' HB3' ' HD3' ' A' ' 90' ' ' PRO . 1.0 OUTLIER -80.65 44.61 0.73 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.019 0.438 . . . . 10.24 111.253 179.887 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -121.09 14.61 11.45 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.078 0.466 . . . . 7.68 110.889 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 75' ' ' LYS . . . . . 0.533 ' H ' ' HD2' ' B' ' 75' ' ' LYS . 0.0 OUTLIER -67.64 130.35 42.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.984 -0.553 . . . . 11.56 110.669 179.788 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 76.0 20.63 77.48 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.927 -0.654 . . . . 8.65 112.494 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 -132.19 130.7 41.38 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.765 0.317 . . . . 7.58 110.851 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 30.5 m80 -104.91 159.12 16.05 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.031 -0.729 . . . . 7.9 109.031 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 35.1 tp -55.62 -40.81 72.62 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.477 -0.329 . . . . 4.14 111.827 -179.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.5 -45.17 94.24 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.343 -0.39 . . . . 5.79 111.503 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -59.9 -56.18 24.88 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 116.163 -0.471 . . . . 6.75 110.596 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 80.2 mt -56.08 -50.82 67.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.174 -0.921 . . . . 4.76 112.3 -179.055 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . 0.629 HD21 HD12 ' A' ' 25' ' ' LEU . 10.9 tp -59.15 -41.35 88.12 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.779 0.659 . . . . 5.48 112.779 -178.46 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -72.48 -30.72 64.79 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 111.857 0.317 . . . . 7.63 111.857 -179.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 27.1 p -80.83 -39.34 26.74 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.866 0.321 . . . . 6.84 111.866 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -98.35 68.72 1.91 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.158 0.504 . . . . 6.55 111.457 -179.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 1.4 m -108.6 144.22 36.6 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.158 -0.474 . . . . 8.4 110.259 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 53.1 mtp180 -106.31 157.34 17.67 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.571 0.225 . . . . 10.35 110.773 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 42.7 t -91.42 120.12 68.41 Favored Pre-proline 0 C--N 1.325 -0.497 0 N-CA-C 109.563 -0.532 . . . . 11.96 109.563 179.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo . . . . . 0 C--O 1.234 0.285 0 C-N-CA 122.948 2.432 . . . . 13.1 112.437 -179.659 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 56.9 t . . . . . 0 C--O 1.231 0.113 0 N-CA-C 109.814 -0.439 . . . . 9.95 109.814 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 21' ' ' HIS . . . . . . . . . . . . . 67.6 t60 -89.54 114.83 26.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.331 -0.395 . . . . 9.34 110.956 -179.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 22' ' ' LEU . . . . . . . . . . . . . 95.9 mt -118.56 153.94 33.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.317 -0.401 . . . . 6.88 111.514 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 23' ' ' THR . . . . . . . . . . . . . 23.1 m -115.71 123.07 47.37 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.262 -0.644 . . . . 8.91 109.262 179.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 24' ' ' LEU . . . . . 0.68 HD13 HD21 ' C' ' 51' ' ' LEU . 25.1 mt -101.87 121.89 42.97 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.826 0.346 . . . . 8.66 111.55 -179.057 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 19.5 tptm -127.98 117.61 22.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.047 -0.524 . . . . 13.38 110.529 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 26' ' ' LYS . . . . . 0.617 ' HE3' ' HD1' ' C' ' 32' ' ' PHE . 25.5 ttpp -90.91 140.69 29.58 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.425 -0.352 . . . . 14.09 111.522 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 27' ' ' ILE . . . . . 0.531 ' O ' ' HE2' ' C' ' 31' ' ' LYS . 62.9 mt -86.24 -47.61 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.024 -0.534 . . . . 14.88 111.152 179.558 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 23.6 mp0 -65.15 133.89 52.56 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.792 0.329 . . . . 15.23 110.897 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.29 142.39 94.67 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 116.002 -0.544 . . . . 18.5 111.019 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 30' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -76.46 135.86 41.81 Favored 'Cis proline' 0 C--O 1.234 0.324 0 C-N-CA 123.454 -1.478 . . . . 17.48 111.51 -0.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 31' ' ' LYS . . . . . 0.531 ' HE2' ' O ' ' C' ' 27' ' ' ILE . 90.6 mttt -76.17 127.6 33.25 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.145 -0.479 . . . . 17.53 110.712 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 32' ' ' PHE . . . . . 0.634 ' HE2' HG12 ' C' ' 34' ' ' ILE . 9.7 p90 -122.34 154.68 37.33 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.173 -0.467 . . . . 13.5 110.168 179.257 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 33' ' ' SER . . . . . 0.51 ' HA ' ' O ' ' C' ' 24' ' ' LEU . 2.2 m -140.87 103.57 4.52 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.125 -0.489 . . . . 12.36 109.978 179.31 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . 0.634 HG12 ' HE2' ' C' ' 32' ' ' PHE . 46.9 pt -123.26 153.59 28.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.407 -0.36 . . . . 10.72 110.84 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 35' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -121.02 138.14 54.31 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.243 -0.435 . . . . 10.54 110.355 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 36' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -153.4 151.18 29.62 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.879 0.371 . . . . 9.85 111.062 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -98.03 134.06 41.65 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.597 -0.729 . . . . 9.77 110.353 179.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 38' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -127.31 -179.02 4.67 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.001 -0.74 . . . . 9.82 109.001 179.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 2.5 m -108.38 150.73 40.96 Favored Pre-proline 0 C--N 1.325 -0.494 0 C-N-CA 121.178 -0.209 . . . . 11.97 110.512 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_exo -66.53 -17.81 53.6 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.718 2.279 . . . . 12.89 110.907 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.38 -15.66 54.57 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.393 -0.821 . . . . 14.42 111.083 179.69 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -80.99 163.76 23.03 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.311 -0.404 . . . . 11.77 110.611 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 77.2 p -111.33 173.85 6.15 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.268 -0.423 . . . . 11.4 110.555 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 44' ' ' ILE . . . . . 0.668 HD11 HD21 ' C' ' 81' ' ' LEU . 42.6 mm -63.27 -27.67 43.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.257 0.551 . . . . 7.86 109.865 178.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 53.8 tp -59.8 -38.97 83.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.504 -0.771 . . . . 12.88 110.72 179.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 46' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -61.61 -38.41 87.51 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.213 -0.448 . . . . 12.18 111.459 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 53.8 mt -63.92 -43.12 97.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 109.694 -0.484 . . . . 8.04 109.694 179.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -63.39 -44.25 95.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.587 -0.733 . . . . 10.51 110.082 179.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -62.25 -35.35 78.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.798 -0.637 . . . . 13.94 110.666 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 50' ' ' HIS . . . . . 0.543 ' O ' ' HG2' ' C' ' 54' ' ' GLU . 3.4 t60 -72.69 -29.35 63.33 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.826 -0.624 . . . . 11.16 111.435 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 51' ' ' LEU . . . . . 0.68 HD21 HD13 ' C' ' 24' ' ' LEU . 65.7 mt -65.07 -34.36 78.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.934 0.397 . . . . 12.37 110.996 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 52' ' ' ILE . . . . . . . . . . . . . 40.8 mt -69.52 -38.23 76.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.012 -0.54 . . . . 15.35 110.529 179.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 1.4 p -70.66 -19.45 62.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.834 0.35 . . . . 15.02 111.341 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 54' ' ' GLU . . . . . 0.543 ' HG2' ' O ' ' C' ' 50' ' ' HIS . 30.5 mm-40 -93.81 7.44 44.88 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.464 -0.334 . . . . 14.38 110.374 179.205 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 61.39 38.06 16.41 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.693 -0.685 . . . . 18.85 111.859 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -118.08 7.32 12.18 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.92 -0.582 . . . . 14.47 111.148 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -162.47 171.49 16.99 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.161 -0.472 . . . . 15.28 110.483 -179.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 58' ' ' SER . . . . . . . . . . . . . 1.1 t -122.52 -63.99 1.23 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.512 -0.313 . . . . 17.75 110.807 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 59' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 -113.02 149.69 32.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.852 0.358 . . . . 19.22 111.048 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 39.4 mm -63.79 -33.8 64.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.945 -0.57 . . . . 13.8 111.661 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.55 -13.08 62.14 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.575 0.584 . . . . 14.67 112.575 -178.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 62' ' ' GLU . . . . . 0.459 ' O ' ' HA ' ' C' ' 94' ' ' ILE . 33.4 mt-10 -94.92 -11.06 29.33 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.98 0.419 . . . . 16.71 111.316 -178.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 63' ' ' ILE . . . . . . . . . . . . . 19.7 mt -94.17 105.12 16.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 112.666 0.617 . . . . 10.79 112.666 -178.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 64' ' ' LYS . . . . . . . . . . . . . 31.9 mtmt -102.45 108.44 19.75 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.932 -0.766 . . . . 9.73 108.932 178.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 65' ' ' LEU . . . . . 0.518 ' HB3' HD12 ' C' ' 72' ' ' LEU . 61.6 mt -97.68 135.62 39.22 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.628 0.251 . . . . 5.89 110.717 -179.394 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 66' ' ' LEU . . . . . 0.605 HD13 ' HB ' ' A' ' 49' ' ' VAL . 5.6 mt -132.4 152.8 51.33 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.217 -0.447 . . . . 7.57 110.678 -179.611 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 67' ' ' LEU . . . . . 0.407 HD13 HD13 ' C' ' 90' ' ' ILE . 55.0 tp -139.23 106.17 5.43 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.705 -0.48 . . . . 7.44 109.705 178.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 58.0 32.31 21.8 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.236 0.541 . . . . 12.88 110.997 -179.52 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 69' ' ' GLY . . . . . 0.881 ' HA2' HG21 ' A' ' 49' ' ' VAL . . . 95.8 -8.85 68.4 Favored Glycine 0 N--CA 1.446 -0.68 0 CA-C-N 115.725 -0.671 . . . . 8.93 112.966 179.642 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 70' ' ' LYS . . . . . 0.637 ' HA ' ' OD2' ' A' ' 45' ' ' ASP . 0.3 OUTLIER -87.62 126.23 34.83 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.63 0.215 . . . . 9.44 111.389 -179.605 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 71' ' ' VAL . . . . . . . . . . . . . 70.5 t -72.33 112.44 8.03 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 N-CA-C 109.238 -0.653 . . . . 7.05 109.238 178.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 72' ' ' LEU . . . . . 0.518 HD12 ' HB3' ' C' ' 65' ' ' LEU . 81.4 mt -72.52 108.61 5.67 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.979 -0.555 . . . . 5.9 111.078 -179.373 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 73' ' ' HIS . . . . . 0.42 ' HB2' ' HB2' ' C' ' 76' ' ' LEU . 96.2 m-70 -68.5 141.97 55.42 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.194 -0.912 . . . . 8.93 110.462 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -56.68 -38.28 72.04 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 112.516 0.562 . . . . 9.91 112.516 -178.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 75' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -91.09 13.15 17.69 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.955 0.354 . . . . 13.36 111.955 -179.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 76' ' ' LEU . . . . . 0.42 ' HB2' ' HB2' ' C' ' 73' ' ' HIS . 40.9 tp -83.05 133.77 35.06 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.725 -0.472 . . . . 9.58 109.725 179.367 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -84.15 148.37 26.8 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.093 -0.503 . . . . 14.32 110.874 -179.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 78' ' ' LEU . . . . . 0.594 ' HA ' ' HG ' ' C' ' 81' ' ' LEU . 26.5 mt -68.84 -14.81 63.26 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.992 -0.549 . . . . 9.53 111.623 -179.488 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.08 -7.32 55.51 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.306 -0.406 . . . . 12.75 111.482 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 80' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -109.15 -0.3 19.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.022 0.439 . . . . 12.44 110.897 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 81' ' ' LEU . . . . . 0.668 HD21 HD11 ' C' ' 44' ' ' ILE . 37.1 mt -66.17 126.61 29.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.472 . . . . 10.15 111.28 -179.563 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 82' ' ' LYS . . . . . . . . . . . . . 41.3 mmtm -82.47 65.19 7.48 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.015 -0.538 . . . . 12.59 109.93 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 14.5 m -104.93 144.63 14.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.169 -0.469 . . . . 11.5 111.215 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 84' ' ' THR . . . . . . . . . . . . . 32.6 p -132.48 167.46 22.46 Favored Pre-proline 0 C--N 1.32 -0.678 0 N-CA-C 108.662 -0.866 . . . . 13.96 108.662 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 85' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -58.49 -23.73 65.76 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.594 2.196 . . . . 14.91 111.704 179.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -81.45 -40.02 23.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.242 -0.435 . . . . 15.11 111.3 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 87' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -131.38 101.74 5.67 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.631 0.604 . . . . 12.35 112.631 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 88' ' ' SER . . . . . . . . . . . . . 18.9 m -123.02 17.18 10.05 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.988 -0.745 . . . . 10.32 108.988 178.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 89' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.95 125.83 34.73 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.147 -0.933 . . . . 9.82 111.448 -179.259 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 90' ' ' ILE . . . . . 0.407 HD13 HD13 ' C' ' 67' ' ' LEU . 46.9 mm -98.4 129.43 48.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 109.117 -0.697 . . . . 6.59 109.117 179.118 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 91' ' ' THR . . . . . 0.59 ' HB ' ' HB2' ' C' ' 66' ' ' LEU . 1.0 OUTLIER -80.52 112.09 17.55 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.098 -0.501 . . . . 8.75 110.399 -179.7 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 92' ' ' VAL . . . . . 0.543 ' O ' ' HA ' ' C' ' 26' ' ' LYS . 31.6 t -102.51 114.89 43.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 116.107 -0.497 . . . . 9.58 111.015 -179.697 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 93' ' ' MET . . . . . . . . . . . . . 2.6 mtm -120.16 120.84 37.34 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.613 -0.514 . . . . 10.9 109.613 178.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 94' ' ' ILE . . . . . 0.459 ' HA ' ' O ' ' C' ' 62' ' ' GLU . 80.7 mt -119.57 119.06 59.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.151 0.501 . . . . 13.44 111.929 -178.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 95' ' ' LYS . . . . . . . . . . . . . 70.8 mttt . . . . . 0 C--N 1.324 -0.501 0 CA-C-N 115.344 -0.844 . . . . 14.6 109.324 179.361 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.5 m . . . . . 0 C--O 1.233 0.22 0 CA-C-O 120.803 0.335 . . . . 10.77 110.686 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 63.4 44.51 5.39 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 109.035 -0.728 . . . . 8.07 109.035 -178.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.428 ' HB2' ' OE1' ' A' ' 20' ' ' GLU . 0.3 OUTLIER -71.67 176.91 4.44 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 114.624 -1.171 . . . . 10.11 110.503 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.404 ' HD3' ' HG3' ' B' ' 38' ' ' GLU . 13.0 mtmt -53.11 -40.8 64.43 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.199 0.444 . . . . 10.66 112.199 -179.412 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.428 ' OE1' ' HB2' ' A' ' 18' ' ' SER . 2.9 pm0 -71.17 -36.56 72.05 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.164 0.431 . . . . 11.43 112.164 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -64.94 -35.21 80.43 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.164 0.507 . . . . 8.91 110.862 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 49.4 mt -85.55 -44.39 17.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.885 -0.598 . . . . 6.35 112.163 -179.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.37 -43.21 64.55 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 112.368 0.507 . . . . 7.12 112.368 -178.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.83 -41.98 88.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.138 -0.483 . . . . 7.6 111.406 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 86.7 mt -73.86 -34.1 64.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.335 -0.393 . . . . 5.59 111.736 -179.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 84.1 mt -61.44 -53.66 45.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.954 0.407 . . . . 4.33 111.011 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 30.1 m -67.17 -34.19 67.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.384 -0.371 . . . . 6.96 111.362 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -66.71 -35.3 79.79 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.036 0.446 . . . . 7.34 109.93 179.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -60.48 -51.37 69.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.862 -0.608 . . . . 5.51 110.039 179.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -62.52 -38.8 91.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.046 -0.524 . . . . 6.35 110.458 179.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.1 m -62.06 -41.72 98.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.043 -0.526 . . . . 8.01 110.579 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.484 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 18.2 m -62.63 -36.48 82.93 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.083 -0.508 . . . . 8.27 110.842 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.557 HG23 ' HB3' ' A' ' 38' ' ' GLU . 69.6 mt -69.85 -47.55 69.1 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 CA-C-N 115.987 -0.551 . . . . 8.37 111.402 -179.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 34.6 m -69.74 -31.73 49.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 113.166 0.802 . . . . 9.63 113.166 -179.022 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -61.5 -40.65 95.36 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.867 0.321 . . . . 10.98 111.867 -179.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.484 ' HG2' ' O ' ' A' ' 32' ' ' SER . 32.7 pttt -96.85 6.13 49.25 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.595 -0.275 . . . . 11.09 111.303 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 39.5 tttm 54.2 47.38 23.27 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 115.905 -0.588 . . . . 11.72 111.125 -179.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.557 ' HB3' HG23 ' A' ' 33' ' ' ILE . 18.2 tt0 -82.79 -4.76 58.4 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.492 0.663 . . . . 9.58 109.73 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 17.8 tt -121.96 156.38 26.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.252 -0.885 . . . . 9.5 109.085 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.2 m -76.33 156.14 33.58 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 110.418 -0.216 . . . . 9.96 110.418 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -54.29 -32.49 56.52 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 116.65 -0.25 . . . . 11.9 111.645 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -63.43 -43.55 97.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.377 -0.374 . . . . 10.3 110.772 179.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.04 -39.74 53.07 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.97 -0.633 . . . . 8.47 111.58 179.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.96 -33.83 76.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.16 0.505 . . . . 8.42 110.105 179.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -58.77 -49.0 79.28 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.346 -0.843 . . . . 9.73 110.083 179.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.5 m -69.51 -27.77 65.47 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.838 -0.619 . . . . 7.86 111.162 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 45.5 mt -67.84 -28.99 68.03 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.23 0.456 . . . . 6.77 112.23 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -58.88 -40.26 83.85 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.982 0.42 . . . . 9.39 110.918 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.905 HG11 HD21 ' C' ' 66' ' ' LEU . 14.7 p -87.82 -31.83 5.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.302 -0.408 . . . . 9.6 110.852 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.04 -48.83 78.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 7.62 110.755 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 43.1 ttm -63.46 -37.05 85.8 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.133 0.492 . . . . 8.19 110.242 179.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -64.67 -43.5 93.37 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.557 -0.747 . . . . 11.12 110.42 179.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.523 ' HA ' ' HG2' ' A' ' 56' ' ' GLU . 12.7 m -68.61 -33.07 73.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.035 -0.53 . . . . 9.77 111.872 179.568 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 96.6 mt -67.13 -39.31 82.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 108.484 -0.932 . . . . 9.06 108.484 178.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.55 ' HA ' ' CE1' ' A' ' 60' ' ' PHE . 19.3 m -66.05 -44.0 85.89 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.295 -0.866 . . . . 10.96 111.347 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.523 ' HG2' ' HA ' ' A' ' 53' ' ' CYS . 12.0 pt-20 -67.65 -35.37 78.77 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-O 120.798 0.332 . . . . 12.89 111.595 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.57 -48.23 67.5 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.243 -0.435 . . . . 11.68 111.86 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -81.07 -6.57 58.96 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.8 0.333 . . . . 11.93 111.796 -179.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.13 52.95 24.8 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 121.238 -0.506 . . . . 13.13 113.289 179.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.55 ' CE1' ' HA ' ' A' ' 55' ' ' SER . 15.2 p90 -148.04 156.45 42.65 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 110.244 -0.28 . . . . 12.01 110.244 179.303 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 46.3 mp0 -96.64 147.11 24.22 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.751 0.31 . . . . 14.85 110.665 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 11.4 ttp180 -63.04 -31.39 72.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.297 0.57 . . . . 11.66 110.062 179.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -75.06 7.38 3.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.435 -0.802 . . . . 13.0 111.472 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.451 ' O ' HG13 ' A' ' 68' ' ' ILE . . . -118.2 0.46 11.75 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.578 0.214 . . . . 12.82 111.578 -179.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 14.3 p -60.39 -34.47 57.88 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 CA-C-O 120.968 0.413 . . . . 10.88 111.175 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -36.87 85.09 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.706 -0.679 . . . . 12.04 110.602 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -73.38 -42.87 40.18 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.942 -0.647 . . . . 12.77 111.923 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 64' ' ' ALA . 34.2 mt -60.28 -41.46 87.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.765 0.317 . . . . 11.54 110.797 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 95.0 mt -68.31 -30.97 70.07 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.886 0.374 . . . . 10.42 110.587 179.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -74.83 -32.02 57.51 Favored Glycine 0 N--CA 1.448 -0.554 0 CA-C-N 115.96 -0.564 . . . . 12.46 112.936 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -84.74 -29.27 25.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.89 0.376 . . . . 14.12 111.593 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.9 m -86.87 165.05 16.24 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.269 -0.423 . . . . 10.83 110.314 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -88.46 44.22 1.19 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.297 0.57 . . . . 10.68 110.648 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -132.26 19.81 4.42 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.645 -0.707 . . . . 8.37 110.331 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.9 ptmt -66.67 120.3 13.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.641 -0.709 . . . . 12.83 110.736 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 85.79 12.72 71.2 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.555 -0.831 . . . . 9.82 111.859 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -115.06 143.23 45.52 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.815 0.341 . . . . 8.93 110.811 179.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 22.8 m80 -116.39 151.1 36.65 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.248 -0.433 . . . . 8.72 109.946 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.469 HD11 HD11 ' B' ' 79' ' ' LEU . 16.3 tp -55.23 -38.7 68.8 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 123.21 0.319 . . . . 4.7 111.43 -179.625 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.8 -43.42 93.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.24 -0.437 . . . . 5.96 110.909 179.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -63.1 -43.8 97.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.001 -0.545 . . . . 7.82 111.096 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 71.4 mt -62.51 -48.69 87.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.694 -0.685 . . . . 5.79 110.762 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.466 HD21 HD12 ' B' ' 25' ' ' LEU . 8.6 mp -67.41 -28.22 67.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.85 0.357 . . . . 5.97 111.611 -179.579 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.545 ' O ' ' HA ' ' B' ' 14' ' ' MET . 60.1 t30 -71.93 -45.47 61.03 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.933 0.397 . . . . 9.2 110.082 179.103 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.5 m -69.61 -35.8 75.6 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.94 -0.573 . . . . 7.98 110.487 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.65 119.2 9.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.958 -0.564 . . . . 7.06 109.947 179.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.799 ' HA ' ' HB2' ' B' ' 14' ' ' MET . 2.9 m -108.86 114.99 29.23 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.188 -0.46 . . . . 9.21 110.702 -179.307 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -116.08 110.21 18.57 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.226 -0.443 . . . . 9.55 110.431 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 41.9 t -98.06 111.07 58.43 Favored Pre-proline 0 C--N 1.324 -0.539 0 N-CA-C 109.796 -0.446 . . . . 12.15 109.796 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.875 ' HB3' ' HD3' ' B' ' 75' ' ' LYS . 58.6 Cg_endo -72.94 76.68 2.47 Favored 'Trans proline' 0 N--CA 1.462 -0.336 0 C-N-CA 122.738 2.292 . . . . 12.82 112.537 -179.336 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -77.31 72.56 3.86 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.093 0.473 . . . . 14.19 110.251 179.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.474 -0.774 . . . . 15.67 110.334 -179.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' MET . . . . . 0.799 ' HB2' ' HA ' ' A' ' 87' ' ' SER . 48.4 ttp . . . . . 0 N--CA 1.485 1.308 0 N-CA-C 111.882 0.327 . . . . 11.23 111.882 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 55.4 ttm -90.42 70.85 7.0 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.512 0.56 . . . . 13.11 112.512 -178.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 7.9 m 50.92 89.94 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 112.866 0.691 . . . . 11.45 112.866 179.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.98 115.78 7.87 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.881 0.372 . . . . 8.27 110.949 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -77.72 164.05 25.61 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.035 -0.53 . . . . 9.28 110.644 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 5.6 mmpp? -57.13 -47.73 80.42 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.798 0.332 . . . . 8.44 111.141 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -60.85 -37.2 81.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.892 -0.595 . . . . 9.58 111.804 -179.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -71.33 -42.04 69.08 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.169 -0.469 . . . . 8.61 111.159 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 66.4 mt -68.44 -40.65 82.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.297 -0.411 . . . . 4.87 110.126 179.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.429 ' HA ' HD12 ' B' ' 26' ' ' ILE . . . -61.15 -34.37 74.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.943 -0.571 . . . . 4.42 110.621 179.5 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.65 -38.92 89.51 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.937 -0.574 . . . . 5.79 110.345 179.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.466 HD12 HD21 ' A' ' 83' ' ' LEU . 72.0 mt -73.45 -32.3 64.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.355 -0.384 . . . . 4.52 110.354 179.327 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.429 HD12 ' HA ' ' B' ' 23' ' ' ALA . 99.6 mt -65.03 -50.34 75.16 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 CA-C-N 115.895 -0.593 . . . . 4.37 109.694 178.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 29.0 m -68.83 -30.03 45.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.367 -0.378 . . . . 6.25 110.29 179.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -63.12 -41.3 99.3 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 109.187 -0.671 . . . . 6.91 109.187 178.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 30.2 t80 -63.18 -44.99 93.86 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.385 -0.825 . . . . 7.07 109.773 178.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' PHE . . . . . 0.447 ' O ' ' HB ' ' B' ' 33' ' ' ILE . 15.6 m-85 -62.37 -37.96 87.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.067 0.461 . . . . 8.36 110.247 178.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 23.2 m -65.85 -39.4 90.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.006 -0.543 . . . . 9.5 109.663 178.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . 0.446 ' HA ' ' HG2' ' B' ' 35' ' ' GLU . 16.8 m -70.62 -7.68 46.06 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.766 -0.652 . . . . 9.77 110.471 179.344 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.851 HG23 ' HB3' ' B' ' 38' ' ' GLU . 52.6 mt -91.19 -50.02 13.0 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 CA-C-N 115.653 -0.703 . . . . 11.09 110.072 179.032 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 31.5 m -74.4 -23.11 18.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 113.014 0.746 . . . . 12.38 113.014 -178.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.446 ' HG2' ' HA ' ' B' ' 32' ' ' SER . 11.0 pt-20 -72.76 -24.92 61.02 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.608 0.596 . . . . 13.19 112.608 -179.515 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 10.4 pttm -129.27 23.45 5.57 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.317 0.488 . . . . 13.7 112.317 -179.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 16.8 ttmm 48.92 56.87 7.08 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.408 0.623 . . . . 15.86 112.091 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . 0.851 ' HB3' HG23 ' B' ' 33' ' ' ILE . 19.8 tp10 -74.6 -26.34 59.85 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.551 -0.749 . . . . 12.56 109.067 179.247 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 6.4 tp -126.08 163.08 28.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.036 -0.984 . . . . 13.67 108.835 179.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.8 164.5 23.48 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.657 0.265 . . . . 15.14 111.239 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.18 -34.39 72.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.78 0.324 . . . . 16.66 111.167 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.43 -43.78 98.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 15.52 110.945 178.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.36 -35.04 81.37 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.924 -0.655 . . . . 13.17 111.588 179.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.27 -30.34 70.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.944 0.402 . . . . 12.42 110.641 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -62.65 -49.33 75.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.904 -0.589 . . . . 13.38 109.887 179.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 1.4 m -70.06 -38.26 75.74 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.033 -0.531 . . . . 11.72 111.298 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 41.0 mt -61.36 -25.74 67.36 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.698 0.629 . . . . 9.64 112.698 -179.434 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -58.0 -59.36 5.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.577 -0.283 . . . . 11.12 111.428 -179.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 8.6 p -71.49 -30.19 38.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.632 -0.258 . . . . 10.04 111.072 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.81 -44.36 96.98 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.934 0.397 . . . . 8.26 110.563 179.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 46.2 ttm -63.06 -35.83 81.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.98 -0.555 . . . . 7.93 110.073 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -64.88 -48.39 74.41 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.851 -0.613 . . . . 9.48 109.983 179.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 77.9 m -57.63 -44.39 85.52 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.515 -0.766 . . . . 8.11 111.156 179.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 98.1 mt -62.51 -42.26 95.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.261 -0.427 . . . . 6.13 110.754 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . 0.519 ' HA ' ' CE1' ' B' ' 60' ' ' PHE . 19.9 m -60.59 -51.26 70.16 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.009 -0.541 . . . . 7.39 111.794 -179.546 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -68.61 -28.83 67.26 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.343 0.498 . . . . 8.81 112.343 -179.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.2 -41.71 99.2 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.497 -0.319 . . . . 7.38 111.368 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' PHE . . . . . 0.419 ' HB2' ' HD1' ' B' ' 60' ' ' PHE . 91.5 m-85 -90.26 -6.63 54.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.235 0.541 . . . . 8.09 110.817 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 73.77 42.22 39.59 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.794 -0.639 . . . . 9.43 113.379 179.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . 0.519 ' CE1' ' HA ' ' B' ' 55' ' ' SER . 16.4 p90 -135.74 153.8 51.45 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.776 0.288 . . . . 8.7 110.391 179.276 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -88.27 135.72 33.31 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.983 0.421 . . . . 11.16 111.019 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' B' ' 62' ' ' ARG . 21.3 ttp180 -59.35 -37.78 78.72 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.813 -0.63 . . . . 10.74 111.116 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.82 0.64 12.58 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 112.234 0.457 . . . . 11.8 112.234 -179.443 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -112.56 17.56 19.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.853 0.358 . . . . 10.53 111.058 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 5.4 p -57.19 -44.86 84.29 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 N-CA-C 112.517 0.562 . . . . 9.11 112.517 -179.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 1.2 m -68.1 -25.19 65.19 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.596 0.221 . . . . 10.71 111.596 -179.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -65.24 -36.06 92.36 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.645 -0.788 . . . . 11.05 111.424 179.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 48.1 mt -74.89 -47.36 37.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 109.901 -0.407 . . . . 9.74 109.901 179.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 71.4 mt -61.45 -38.79 88.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.75 -0.659 . . . . 9.17 111.394 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -70.14 -25.85 75.06 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 121.009 -0.615 . . . . 11.56 112.729 -179.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 13.5 ttmt -84.37 -45.22 12.98 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.225 0.536 . . . . 12.46 110.084 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 18.5 m -77.33 -177.13 4.47 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.708 -0.678 . . . . 9.82 111.96 -179.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -82.36 -21.47 35.91 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.611 -0.722 . . . . 10.24 110.818 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -79.3 74.22 5.9 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.769 -0.65 . . . . 7.68 111.448 -179.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 75' ' ' LYS . . . . . 0.875 ' HD3' ' HB3' ' A' ' 90' ' ' PRO . 0.7 OUTLIER -124.81 133.9 52.95 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.269 -0.423 . . . . 11.56 110.287 179.265 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 72.32 21.29 79.41 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.693 -0.765 . . . . 8.65 111.633 -179.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 21.8 mm-40 -136.28 120.13 17.43 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.046 -0.724 . . . . 7.58 109.046 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 45.0 m80 -84.51 161.43 20.25 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.171 -0.677 . . . . 7.9 109.171 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.469 HD11 HD11 ' A' ' 79' ' ' LEU . 23.1 tp -59.94 -34.06 72.74 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.35 0.595 . . . . 4.14 110.211 179.451 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.67 -29.95 68.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.455 -0.793 . . . . 5.79 111.023 179.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -75.12 -49.23 20.26 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 116.13 -0.486 . . . . 6.75 110.352 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 82.0 mt -60.3 -45.28 96.58 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 CA-C-N 115.846 -0.615 . . . . 4.76 110.895 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 6.9 mp -67.8 -20.28 65.18 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.078 -0.51 . . . . 5.48 111.644 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -78.74 -43.0 26.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.916 0.388 . . . . 7.63 110.253 179.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.02 -31.71 70.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.79 -0.641 . . . . 6.84 110.842 179.555 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.12 97.13 0.17 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.02 -0.537 . . . . 6.55 110.372 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 2.0 m -107.41 102.15 11.45 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.959 -0.564 . . . . 8.4 110.579 -179.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 28.2 mmm-85 -119.63 127.14 52.65 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.76 -0.655 . . . . 10.35 109.945 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 61.2 t -101.82 118.48 59.41 Favored Pre-proline 0 C--N 1.319 -0.732 0 CA-C-N 116.221 -0.445 . . . . 11.96 109.809 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_exo . . . . . 0 C--O 1.236 0.394 0 C-N-CA 122.582 2.188 . . . . 13.1 111.21 179.311 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 21.4 t . . . . . 0 N--CA 1.455 -0.202 0 CA-C-O 121.077 0.465 . . . . 9.95 109.973 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 21' ' ' HIS . . . . . . . . . . . . . 17.7 t60 -82.41 109.2 16.44 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.745 -0.662 . . . . 9.34 110.813 -179.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 22' ' ' LEU . . . . . . . . . . . . . 63.5 mt -107.64 144.62 34.43 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.415 -0.357 . . . . 6.88 111.105 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 23' ' ' THR . . . . . 0.512 ' HB ' ' HA ' ' C' ' 89' ' ' THR . 2.5 m -108.54 117.87 35.31 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.89 -0.595 . . . . 8.91 109.815 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 24' ' ' LEU . . . . . 0.481 HD13 HD21 ' C' ' 51' ' ' LEU . 60.7 mt -101.68 118.21 36.47 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.592 0.234 . . . . 8.66 110.7 -179.685 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 17.9 tptm -130.65 124.21 31.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.92 0.391 . . . . 13.38 111.565 -179.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 26' ' ' LYS . . . . . 0.65 ' HD3' ' CE2' ' C' ' 32' ' ' PHE . 16.7 tttp -101.21 116.7 33.42 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.957 -0.757 . . . . 14.09 108.957 178.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 27' ' ' ILE . . . . . . . . . . . . . 44.3 pt -82.08 -8.36 11.29 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 N-CA-C 113.106 0.78 . . . . 14.88 113.106 -178.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . 0.671 HE22 ' HA ' ' C' ' 93' ' ' MET . 0.9 OUTLIER -107.9 153.0 23.67 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.349 -0.611 . . . . 15.23 109.349 179.139 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.88 132.92 92.05 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-O 120.865 0.364 . . . . 18.5 111.934 -179.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 30' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -83.84 131.39 17.11 Favored 'Cis proline' 0 CA--C 1.531 0.345 0 C-N-CA 123.084 -1.632 . . . . 17.48 111.406 -1.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 51.8 mttt -75.69 110.38 10.06 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.056 0.455 . . . . 17.53 111.082 -179.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 32' ' ' PHE . . . . . 0.65 ' CE2' ' HD3' ' C' ' 26' ' ' LYS . 40.1 p90 -124.47 163.37 21.98 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.04 -0.527 . . . . 13.5 110.673 179.238 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 33' ' ' SER . . . . . . . . . . . . . 15.6 m -148.1 119.4 7.83 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.395 -0.366 . . . . 12.36 110.38 179.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 9.4 pt -137.45 158.51 34.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.266 -0.425 . . . . 10.72 110.692 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 35' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -129.48 147.32 51.28 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.299 -0.409 . . . . 10.54 110.07 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 36' ' ' HIS . . . . . . . . . . . . . 76.4 t60 -158.1 150.71 22.42 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.304 -0.407 . . . . 9.85 110.757 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -94.48 124.96 38.83 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.078 -0.51 . . . . 9.77 109.998 179.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 38' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -113.64 -179.29 3.6 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 116.264 -0.425 . . . . 9.82 110.346 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.46 152.91 44.27 Favored Pre-proline 0 C--N 1.326 -0.43 0 N-CA-C 109.355 -0.609 . . . . 11.97 109.355 179.32 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -63.35 -17.21 58.99 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.402 2.068 . . . . 12.89 112.186 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.4 -14.56 45.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.96 -0.564 . . . . 14.42 110.446 179.268 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -79.08 130.72 35.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.975 -0.557 . . . . 11.77 109.635 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 18.7 p -92.4 178.45 5.83 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.434 -0.348 . . . . 11.4 110.283 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 44' ' ' ILE . . . . . 0.724 ' HB ' ' HA ' ' C' ' 74' ' ' ASP . 48.2 mm -60.5 -28.27 42.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.279 0.561 . . . . 7.86 110.004 179.486 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 43.9 tp -62.69 -37.48 86.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.516 -0.766 . . . . 12.88 110.524 179.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 46' ' ' GLN . . . . . 0.503 ' HA ' ' OE1' ' C' ' 49' ' ' GLN . 1.5 mp0 -63.13 -37.56 87.69 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.292 -0.413 . . . . 12.18 110.998 -179.762 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 55.2 mt -63.19 -42.19 95.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 109.46 -0.57 . . . . 8.04 109.46 179.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -64.95 -44.45 89.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.47 -0.786 . . . . 10.51 110.419 179.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . 0.503 ' OE1' ' HA ' ' C' ' 46' ' ' GLN . 85.6 mt-30 -59.52 -36.15 75.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.937 -0.574 . . . . 13.94 110.533 179.67 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 50' ' ' HIS . . . . . 0.451 ' O ' ' HG2' ' C' ' 54' ' ' GLU . 1.8 t60 -69.2 -38.24 78.52 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.731 -0.668 . . . . 11.16 111.225 -179.69 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 51' ' ' LEU . . . . . 0.481 HD21 HD13 ' C' ' 24' ' ' LEU . 65.9 mt -62.45 -32.34 73.19 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.279 -0.419 . . . . 12.37 111.757 -179.737 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 52' ' ' ILE . . . . . . . . . . . . . 60.7 mt -65.69 -42.43 92.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 120.948 0.404 . . . . 15.35 110.488 179.273 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.89 -16.18 62.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.062 -0.517 . . . . 15.02 111.167 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 54' ' ' GLU . . . . . 0.451 ' HG2' ' O ' ' C' ' 50' ' ' HIS . 72.3 mm-40 -95.02 10.06 37.11 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.061 -0.518 . . . . 14.38 110.126 179.28 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 56.17 43.63 26.42 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.634 -0.712 . . . . 18.85 111.349 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 33.4 mmtm -107.44 -28.23 9.95 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.184 -0.462 . . . . 14.47 111.667 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 57' ' ' ALA . . . . . 0.464 ' HB2' HD13 ' C' ' 94' ' ' ILE . . . -141.4 166.95 23.34 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.226 -0.443 . . . . 15.28 110.247 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 58' ' ' SER . . . . . . . . . . . . . 2.5 t -103.64 -39.78 6.57 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.4 -0.364 . . . . 17.75 110.544 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 59' ' ' HIS . . . . . . . . . . . . . 86.5 m-70 -132.58 163.93 27.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.911 0.386 . . . . 19.22 111.957 -179.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 39.4 mm -69.23 -36.88 74.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.644 -0.707 . . . . 13.8 111.477 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 1.7 m -65.28 -23.49 67.05 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 113.053 0.761 . . . . 14.67 113.053 -178.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -77.76 -22.27 50.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.299 0.571 . . . . 16.71 111.188 -179.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 63' ' ' ILE . . . . . . . . . . . . . 33.4 mt -87.23 99.36 8.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 112.866 0.691 . . . . 10.79 112.866 -178.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 64' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -103.79 108.09 19.25 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.749 -0.834 . . . . 9.73 108.749 178.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 65' ' ' LEU . . . . . 0.583 HD12 HG23 ' C' ' 44' ' ' ILE . 76.1 mt -93.17 142.7 27.01 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.675 0.274 . . . . 5.89 111.626 -179.016 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 66' ' ' LEU . . . . . 0.905 HD21 HG11 ' A' ' 49' ' ' VAL . 1.7 mp -133.93 166.03 23.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.142 -0.481 . . . . 7.57 110.819 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 22.5 tp -140.68 66.35 1.38 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.798 -0.637 . . . . 7.44 109.351 179.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.29 87.4 0.1 Allowed 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.489 -0.778 . . . . 12.88 112.032 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 84.56 -58.18 5.0 Favored Glycine 0 CA--C 1.519 0.302 0 C-N-CA 120.629 -0.796 . . . . 8.93 113.109 179.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 70' ' ' LYS . . . . . 0.708 ' HE3' ' HA ' ' C' ' 70' ' ' LYS . 0.1 OUTLIER -80.52 142.24 34.36 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.822 0.344 . . . . 9.44 111.467 -179.523 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 71' ' ' VAL . . . . . 0.66 ' HA ' ' HG ' ' C' ' 66' ' ' LEU . 40.1 t -90.7 143.57 10.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.057 -0.52 . . . . 7.05 110.175 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 86.7 mt -94.51 125.45 39.16 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.956 0.407 . . . . 5.9 110.434 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 73' ' ' HIS . . . . . . . . . . . . . 21.7 m-70 -94.57 147.45 23.27 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.151 -0.477 . . . . 8.93 111.058 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 74' ' ' ASP . . . . . 0.724 ' HA ' ' HB ' ' C' ' 44' ' ' ILE . 3.3 m-20 -52.13 -44.62 64.6 Favored 'General case' 0 C--O 1.236 0.366 0 O-C-N 123.721 0.638 . . . . 9.91 112.597 -179.094 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 75' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -78.22 67.89 4.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.118 0.485 . . . . 13.36 111.619 -179.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 76' ' ' LEU . . . . . . . . . . . . . 21.4 tp -155.56 148.57 24.48 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.839 -0.619 . . . . 9.58 109.493 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -103.61 156.06 18.07 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.733 0.301 . . . . 14.32 110.566 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 39.6 mt -62.96 -28.16 69.89 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.122 -0.49 . . . . 9.53 112.299 -179.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 79' ' ' SER . . . . . . . . . . . . . 12.3 m -67.99 -20.69 65.05 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.946 0.403 . . . . 12.75 111.797 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 80' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -87.31 -8.05 57.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.127 0.489 . . . . 12.44 110.862 -179.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 82.4 mt -81.06 128.88 34.21 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.05 -0.523 . . . . 10.15 109.919 179.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 82' ' ' LYS . . . . . . . . . . . . . 42.7 mmtm -81.45 45.26 0.85 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.335 0.588 . . . . 12.59 110.538 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 2.6 m -67.83 118.71 12.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.603 -0.726 . . . . 11.5 110.834 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 84' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -118.82 162.28 31.88 Favored Pre-proline 0 C--N 1.319 -0.758 0 CA-C-N 115.656 -0.702 . . . . 13.96 109.956 -179.455 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 85' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_exo -54.86 -27.14 51.75 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.987 2.458 . . . . 14.91 112.965 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -77.33 -23.72 50.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.702 0.287 . . . . 15.11 111.546 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 87' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -148.05 90.48 1.83 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.25 0.548 . . . . 12.35 111.758 -179.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 88' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -114.78 23.97 12.19 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.489 0.661 . . . . 10.32 109.854 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 89' ' ' THR . . . . . 0.512 ' HA ' ' HB ' ' C' ' 23' ' ' THR . 0.2 OUTLIER -104.84 132.64 50.84 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.458 -0.792 . . . . 9.82 110.962 -179.276 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 90' ' ' ILE . . . . . . . . . . . . . 42.2 mm -99.93 128.03 52.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 109.07 -0.715 . . . . 6.59 109.07 179.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 91' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.72 106.17 9.37 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.943 0.401 . . . . 8.75 110.628 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 92' ' ' VAL . . . . . 0.516 HG12 HG13 ' C' ' 94' ' ' ILE . 48.8 t -92.63 110.33 22.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 121.102 0.477 . . . . 9.58 110.601 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 93' ' ' MET . . . . . 0.671 ' HA ' HE22 ' C' ' 28' ' ' GLN . 50.7 mmm -109.54 68.2 0.67 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.301 -0.409 . . . . 10.9 110.772 -179.608 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 94' ' ' ILE . . . . . 0.516 ' HB ' ' HD2' ' C' ' 26' ' ' LYS . 81.9 mt -73.53 104.93 2.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 109.755 -0.461 . . . . 13.44 109.755 179.261 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 95' ' ' LYS . . . . . . . . . . . . . 12.2 mmtp . . . . . 0 C--N 1.323 -0.574 0 CA-C-N 115.494 -0.775 . . . . 14.6 109.431 -179.026 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.8 m . . . . . 0 C--O 1.238 0.467 0 N-CA-C 111.673 0.249 . . . . 10.77 111.673 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 60.44 59.74 2.17 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.666 0.746 . . . . 8.07 110.257 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 m -74.88 174.2 9.57 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.796 -1.093 . . . . 10.11 110.683 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.47 ' HB3' ' CE1' ' A' ' 58' ' ' PHE . 4.7 mttm -54.74 -43.82 73.02 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.041 -0.527 . . . . 10.66 112.025 -179.073 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -68.54 -39.05 81.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.614 -0.267 . . . . 11.43 111.617 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -61.16 -45.2 95.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.206 0.527 . . . . 8.91 109.912 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 71.5 mt -70.19 -45.6 75.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.547 -0.751 . . . . 6.35 111.195 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.46 -41.54 73.05 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.446 -0.343 . . . . 7.12 111.873 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.87 -41.01 95.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 7.6 110.934 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.1 mt -69.94 -32.97 71.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.169 -0.469 . . . . 5.59 111.155 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 93.7 mt -68.39 -51.36 48.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.063 -0.517 . . . . 4.33 110.977 179.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 31.5 m -64.76 -37.77 81.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.448 -0.342 . . . . 6.96 111.751 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -62.7 -36.99 84.73 Favored 'General case' 0 C--N 1.334 -0.091 0 CA-C-O 121.016 0.436 . . . . 7.34 110.324 179.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.401 ' O ' HG13 ' A' ' 33' ' ' ILE . 42.3 t80 -61.87 -43.8 98.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.054 -0.521 . . . . 5.51 110.101 179.312 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -63.96 -41.11 97.67 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.078 -0.51 . . . . 6.35 110.092 179.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.9 m -59.17 -45.8 90.05 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.929 -0.578 . . . . 8.01 110.373 179.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.629 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 24.1 m -58.03 -45.23 87.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.464 -0.335 . . . . 8.27 110.962 179.523 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 29' ' ' TYR . 70.6 mt -61.12 -48.15 90.32 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 CA-C-N 116.323 -0.399 . . . . 8.37 111.763 -179.513 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 31.5 m -72.02 -27.61 27.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 112.771 0.656 . . . . 9.63 112.771 -179.015 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -76.11 -41.02 51.57 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.753 0.311 . . . . 10.98 111.696 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.629 ' HG2' ' O ' ' A' ' 32' ' ' SER . 26.5 pttt -87.85 6.42 35.5 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.792 0.33 . . . . 11.09 110.6 179.375 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.2 mtpt 49.98 58.28 5.63 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.353 -0.839 . . . . 11.72 112.823 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -104.52 18.73 21.65 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.438 0.637 . . . . 9.58 109.671 179.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 11.2 tp -148.06 149.65 15.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.353 -0.839 . . . . 9.5 109.632 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.44 151.69 43.78 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.357 -0.383 . . . . 9.96 110.686 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -58.26 -27.27 63.85 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 112.225 0.454 . . . . 11.9 112.225 -179.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -63.91 -21.87 66.66 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.506 -0.315 . . . . 10.3 111.236 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -111.11 -8.38 23.79 Favored Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.858 -0.687 . . . . 8.47 111.387 179.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.76 -49.82 69.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.53 0.205 . . . . 8.42 111.299 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -66.93 -31.89 72.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.857 0.361 . . . . 9.73 110.064 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.1 m -65.31 -46.23 81.14 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.963 -0.562 . . . . 7.86 109.951 179.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 58.4 mt -68.49 -35.25 77.26 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.691 -0.485 . . . . 6.77 109.691 179.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -63.4 -48.41 77.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.594 -0.73 . . . . 9.39 111.054 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.458 HG11 HD21 ' C' ' 66' ' ' LEU . 13.7 p -68.52 -38.58 79.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.497 -0.32 . . . . 9.6 110.855 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.6 -45.63 92.01 Favored 'General case' 0 N--CA 1.457 -0.121 0 N-CA-C 109.924 -0.398 . . . . 7.62 109.924 178.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 30.1 ttm -58.36 -41.42 84.66 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.827 -0.624 . . . . 8.19 109.998 179.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -65.43 -45.09 85.23 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.736 -0.666 . . . . 11.12 110.6 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 90.3 m -63.91 -38.79 92.39 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.074 -0.512 . . . . 9.77 111.093 179.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 94.2 mt -62.07 -41.39 90.98 Favored 'Isoleucine or valine' 0 C--O 1.232 0.156 0 N-CA-C 109.651 -0.499 . . . . 9.06 109.651 178.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.559 ' HA ' ' CE1' ' A' ' 60' ' ' PHE . 19.4 m -58.71 -55.9 29.12 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.498 -0.773 . . . . 10.96 111.563 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -63.61 -29.72 70.93 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.355 0.502 . . . . 12.89 112.355 -179.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.31 -42.66 92.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.826 0.346 . . . . 11.68 111.227 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.47 ' CE1' ' HB3' ' A' ' 19' ' ' LYS . 79.5 m-85 -84.21 -10.54 57.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.314 -0.403 . . . . 11.93 111.53 179.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 86.87 21.29 50.94 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 121.016 -0.611 . . . . 13.13 113.7 178.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.559 ' CE1' ' HA ' ' A' ' 55' ' ' SER . 18.9 p90 -122.11 159.14 27.75 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 117.06 0.43 . . . . 12.01 110.693 179.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -92.41 141.28 28.7 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.547 -0.297 . . . . 14.85 110.295 179.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 62' ' ' ARG . 14.4 ttp180 -55.63 -40.93 72.83 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.065 -0.516 . . . . 11.66 111.314 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -76.39 0.92 17.84 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.449 0.537 . . . . 13.0 112.449 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -100.07 2.03 42.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.732 0.301 . . . . 12.82 110.916 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 9.0 p -58.91 -35.62 57.38 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-O 121.071 0.463 . . . . 10.88 111.077 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.17 -40.57 96.4 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.731 -0.668 . . . . 12.04 110.738 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.56 -41.33 65.94 Favored Glycine 0 N--CA 1.449 -0.483 0 CA-C-N 115.793 -0.639 . . . . 12.77 111.82 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 90.7 mt -63.0 -51.54 70.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 120.68 0.276 . . . . 11.54 110.728 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 52.8 mt -62.38 -30.73 71.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.417 -0.356 . . . . 10.42 111.49 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -67.38 -27.64 73.55 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 121.052 -0.594 . . . . 12.46 113.0 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.413 ' HE2' ' HB3' ' A' ' 71' ' ' LYS . 7.1 ptpt -106.02 5.62 30.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 117.006 0.403 . . . . 14.12 111.491 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 67.3 m -100.21 168.12 10.01 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.003 -0.544 . . . . 10.83 111.81 -179.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -69.71 -39.79 76.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.296 -0.865 . . . . 10.68 110.777 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -78.96 41.05 0.42 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.612 -0.722 . . . . 8.37 112.047 -178.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.779 ' HD3' ' HB3' ' B' ' 90' ' ' PRO . 21.4 ptmt -72.23 132.31 43.92 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.363 -0.38 . . . . 12.83 110.104 179.375 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 71.41 26.9 72.41 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.921 -0.657 . . . . 9.82 112.602 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -130.16 154.73 47.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.913 0.387 . . . . 8.93 110.731 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 46.4 m80 -115.57 159.47 21.23 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.048 -0.723 . . . . 8.72 109.048 178.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 19.3 tp -59.28 -39.97 84.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.808 0.337 . . . . 4.7 111.265 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.46 -40.88 96.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 5.96 111.037 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -59.36 -48.07 83.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.08 0.467 . . . . 7.82 110.607 -179.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 70.2 mt -62.15 -48.53 88.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.632 -0.713 . . . . 5.79 111.383 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.578 HD22 HG12 ' B' ' 22' ' ' ILE . 8.3 mp -64.68 -28.71 69.79 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.085 0.402 . . . . 5.97 112.085 -179.441 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -78.17 -20.11 52.62 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.072 0.463 . . . . 9.2 110.532 179.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 9.8 m -94.27 -31.55 14.03 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.09 -0.505 . . . . 7.98 110.629 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.72 103.64 1.14 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.309 0.576 . . . . 7.06 110.961 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 15.3 m -87.05 118.92 26.75 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.733 -0.667 . . . . 9.21 110.181 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.519 ' HD3' ' OE1' ' B' ' 77' ' ' GLN . 1.9 mmp_? -131.52 99.23 4.74 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.281 -0.418 . . . . 9.55 110.623 -179.147 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 38.3 t -99.15 115.92 65.46 Favored Pre-proline 0 C--N 1.327 -0.373 0 N-CA-C 109.838 -0.43 . . . . 12.15 109.838 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_endo -78.14 80.22 3.05 Favored 'Trans proline' 0 C--O 1.235 0.36 0 C-N-CA 122.824 2.35 . . . . 12.82 112.714 -179.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -72.84 101.82 3.24 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.833 -0.621 . . . . 14.19 110.799 179.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 14.1 m . . . . . 0 C--O 1.25 1.095 0 CA-C-N 115.666 -0.697 . . . . 15.67 110.357 179.848 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 59.2 ttp . . . . . 0 N--CA 1.483 1.182 0 CA-C-O 120.578 0.227 . . . . 11.23 111.428 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 13.2 mmt -80.78 70.35 7.53 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 110.288 -0.264 . . . . 13.11 110.288 -179.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 27.2 m 64.76 99.81 0.04 OUTLIER 'General case' 0 CA--C 1.523 -0.092 0 O-C-N 123.801 0.688 . . . . 11.45 109.965 -178.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.459 ' HB1' HD11 ' B' ' 22' ' ' ILE . . . -42.98 97.3 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.302 0 O-C-N 123.696 0.623 . . . . 8.27 112.417 -178.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 8.6 m -101.12 173.55 6.41 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.638 -0.71 . . . . 9.28 110.133 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -56.25 -46.17 79.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.428 -0.351 . . . . 8.44 110.917 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -61.48 -50.56 72.26 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.292 0.478 . . . . 9.58 112.292 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.728 ' HG2' ' HB3' ' B' ' 72' ' ' SER . 11.7 mt-10 -57.27 -36.29 70.82 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 112.058 0.392 . . . . 8.61 112.058 -179.32 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.578 HG12 HD22 ' A' ' 83' ' ' LEU . 54.1 mt -85.53 -49.81 15.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 112.571 0.582 . . . . 4.87 112.571 -178.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.23 -38.25 73.5 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.182 0.438 . . . . 4.42 112.182 -178.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.75 -44.14 85.91 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 123.238 0.336 . . . . 5.79 110.946 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.554 HD12 HD21 ' A' ' 83' ' ' LEU . 91.6 mt -72.19 -35.16 68.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.233 -0.439 . . . . 4.52 111.274 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 90.3 mt -60.79 -54.17 39.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.438 . . . . 4.37 110.649 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 30.9 m -68.88 -32.73 55.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.358 -0.383 . . . . 6.25 111.055 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -62.13 -43.55 98.58 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 116.271 -0.422 . . . . 6.91 110.148 179.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' TYR . . . . . 0.452 ' O ' HG13 ' B' ' 33' ' ' ILE . 49.0 t80 -59.03 -50.08 75.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.745 -0.662 . . . . 7.07 110.477 179.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -62.68 -41.15 98.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 8.36 111.179 -179.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 35.1 m -63.74 -35.59 81.09 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.234 -0.439 . . . . 9.5 110.734 179.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . 0.537 ' HA ' ' HG2' ' B' ' 35' ' ' GLU . 14.9 m -75.33 -14.81 60.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.221 0.534 . . . . 9.77 110.964 179.713 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.822 HG23 ' HB3' ' B' ' 38' ' ' GLU . 79.2 mt -82.91 -45.77 19.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.055 -0.521 . . . . 11.09 110.114 179.254 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 18.9 m -73.12 -36.08 49.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 113.022 0.749 . . . . 12.38 113.022 -179.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.537 ' HG2' ' HA ' ' B' ' 32' ' ' SER . 8.6 pt-20 -58.58 -36.13 73.5 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 112.656 0.613 . . . . 13.19 112.656 -178.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 25.8 pttm -106.95 13.14 27.98 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.766 0.284 . . . . 13.7 111.766 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 20.2 ttmm 50.77 64.12 1.95 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.555 0.693 . . . . 15.86 112.043 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . 0.822 ' HB3' HG23 ' B' ' 33' ' ' ILE . 85.2 tt0 -90.14 -23.75 21.26 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.709 -0.678 . . . . 12.56 110.129 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 15.1 tt -110.46 167.84 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.583 -0.735 . . . . 13.67 110.317 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -77.1 166.96 22.58 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.935 0.398 . . . . 15.14 111.413 -179.732 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -61.25 -27.62 68.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.882 -0.599 . . . . 16.66 112.501 -179.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.38 -59.18 2.86 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.395 -0.366 . . . . 15.52 110.956 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.27 -27.45 60.4 Favored Glycine 0 CA--C 1.518 0.269 0 CA-C-N 116.056 -0.52 . . . . 13.17 112.822 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.85 -36.46 83.33 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.978 0.418 . . . . 12.42 110.267 179.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.25 -40.8 77.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.826 -0.624 . . . . 13.38 109.863 179.621 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . 0.479 ' HA ' HD12 ' C' ' 27' ' ' ILE . 0.8 OUTLIER -63.45 -47.38 82.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.693 -0.685 . . . . 11.72 110.253 179.612 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 33.1 mt -67.24 -29.29 68.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 9.64 111.14 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -55.72 -55.0 37.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.824 -0.625 . . . . 11.12 110.672 179.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 10.9 p -76.13 -30.48 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 10.04 111.437 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.37 -41.2 84.24 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.918 0.39 . . . . 8.26 110.441 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 61.7 mtm -62.78 -40.37 97.1 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.94 -0.573 . . . . 7.93 110.503 179.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.52 -42.65 91.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.913 -0.585 . . . . 9.48 110.412 179.612 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 92.9 m -59.95 -45.36 92.89 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.048 -0.524 . . . . 8.11 111.151 179.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 82.5 mt -63.05 -43.16 98.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.431 -0.35 . . . . 6.13 110.314 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . 0.525 ' HA ' ' CE1' ' B' ' 60' ' ' PHE . 17.5 m -60.85 -52.8 63.52 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.004 -0.544 . . . . 7.39 111.999 -179.605 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.84 -31.66 72.42 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 112.422 0.527 . . . . 8.81 112.422 -179.06 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.12 -41.93 73.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.717 0.294 . . . . 7.38 110.93 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -76.25 -35.48 58.95 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.251 -0.431 . . . . 8.09 111.405 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 111.21 25.92 4.83 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.556 -0.83 . . . . 9.43 113.561 179.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . 0.525 ' CE1' ' HA ' ' B' ' 55' ' ' SER . 23.1 p90 -131.9 178.59 6.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 122.716 -0.285 . . . . 8.7 110.692 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . 0.474 ' HG3' ' H ' ' B' ' 63' ' ' GLU . 8.1 tp10 -122.66 150.41 42.72 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 110.088 -0.338 . . . . 11.16 110.088 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 24.5 ttp180 -63.65 -25.49 68.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.062 -0.517 . . . . 10.74 111.229 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . 0.474 ' H ' ' HG3' ' B' ' 61' ' ' GLU . 9.5 tp10 -79.79 -6.19 56.83 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.027 -0.533 . . . . 11.8 111.11 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -105.81 10.31 32.64 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.76 0.314 . . . . 10.53 111.351 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 12.7 p -61.66 -32.79 54.78 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 CA-C-O 120.789 0.328 . . . . 9.11 111.726 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.46 -35.13 75.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.007 0.432 . . . . 10.71 111.015 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -72.2 -29.85 65.92 Favored Glycine 0 N--CA 1.451 -0.341 0 CA-C-N 115.91 -0.586 . . . . 11.05 111.873 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 58.2 mt -79.36 -52.25 15.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 120.51 0.195 . . . . 9.74 110.721 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 32.0 mt -57.51 -40.53 78.91 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 112.215 0.45 . . . . 9.17 112.215 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -72.93 -22.02 79.41 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.67 -0.776 . . . . 11.56 112.5 -179.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 2.8 ttmp? -87.29 -59.01 2.37 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.852 0.358 . . . . 12.46 110.627 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . 0.728 ' HB3' ' HG2' ' B' ' 21' ' ' GLU . 14.4 m -62.09 165.37 5.73 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.73 -0.668 . . . . 9.82 111.282 -179.403 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -83.69 54.17 2.78 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.48 0.548 . . . . 10.24 112.48 -178.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.515 ' HE2' ' HB3' ' B' ' 21' ' ' GLU . 45.4 m-85 -145.12 22.84 1.54 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.744 -0.662 . . . . 7.68 109.812 178.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 75' ' ' LYS . . . . . 0.579 ' H ' ' HD2' ' B' ' 75' ' ' LYS . 0.0 OUTLIER -66.38 127.81 33.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.355 -0.839 . . . . 11.56 111.747 -179.381 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 74.71 16.69 80.15 Favored Glycine 0 N--CA 1.451 -0.337 0 CA-C-N 115.676 -0.693 . . . . 8.65 113.081 179.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 77' ' ' GLN . . . . . 0.519 ' OE1' ' HD3' ' A' ' 88' ' ' ARG . 14.0 mm-40 -120.84 160.38 23.53 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 122.694 -0.298 . . . . 7.58 110.478 -179.371 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 78' ' ' HIS . . . . . 0.681 ' HB2' ' OD1' ' B' ' 81' ' ' ASP . 64.2 m80 -126.48 149.25 49.45 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.784 -0.45 . . . . 7.9 109.784 179.199 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 20.1 tp -56.55 -33.45 66.14 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.242 -0.435 . . . . 4.14 112.059 -179.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.73 -56.5 17.0 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.07 0.396 . . . . 5.79 112.07 -179.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 81' ' ' ASP . . . . . 0.681 ' OD1' ' HB2' ' B' ' 78' ' ' HIS . 0.3 OUTLIER -67.3 -41.87 84.69 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.718 0.636 . . . . 6.75 112.718 -179.277 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 93.9 mt -56.22 -46.91 81.5 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 CA-C-O 120.897 0.38 . . . . 4.76 111.502 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 5.1 mp -67.17 -34.41 77.48 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.142 -0.481 . . . . 5.48 111.308 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -70.64 -37.81 73.8 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.271 -0.422 . . . . 7.63 111.861 -179.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.4 p -66.18 -22.23 66.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.946 0.403 . . . . 6.84 111.525 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -75.88 128.82 35.92 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 109.445 -0.576 . . . . 6.55 109.445 179.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 3.4 m -101.95 101.45 11.86 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.006 0.431 . . . . 8.4 110.508 -179.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 9.8 mmm180 -96.24 119.13 34.17 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.084 0.468 . . . . 10.35 111.271 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 89' ' ' VAL . . . . . 0.426 ' HA ' ' HD3' ' B' ' 90' ' ' PRO . 3.2 t -94.52 120.95 64.36 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 115.737 -0.665 . . . . 11.96 109.612 179.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 90' ' ' PRO . . . . . 0.779 ' HB3' ' HD3' ' A' ' 75' ' ' LYS . 7.0 Cg_exo . . . . . 0 N--CA 1.46 -0.484 0 C-N-CA 122.747 2.298 . . . . 13.1 111.791 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 45.1 t . . . . . 0 CA--C 1.528 0.127 0 CA-C-O 121.358 0.599 . . . . 9.95 110.1 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 21' ' ' HIS . . . . . . . . . . . . . 17.7 t60 -78.03 111.57 14.05 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.574 -0.739 . . . . 9.34 110.543 -179.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 22' ' ' LEU . . . . . . . . . . . . . 95.8 mt -118.69 143.88 46.56 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.465 -0.334 . . . . 6.88 111.228 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 23' ' ' THR . . . . . 0.408 ' HA ' ' HG2' ' C' ' 35' ' ' GLU . 5.4 m -102.59 120.05 39.87 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.696 -0.684 . . . . 8.91 109.507 179.039 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 24' ' ' LEU . . . . . . . . . . . . . 35.7 mt -103.45 115.01 29.74 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 110.089 -0.337 . . . . 8.66 110.089 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 63.4 tttt -124.17 128.09 48.72 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.715 0.293 . . . . 13.38 111.024 -179.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 26' ' ' LYS . . . . . 0.629 ' HE3' ' CE2' ' C' ' 32' ' ' PHE . 5.4 ttpp -90.5 128.1 36.43 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.262 -0.426 . . . . 14.09 110.142 178.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 27' ' ' ILE . . . . . 0.479 HD12 ' HA ' ' B' ' 46' ' ' SER . 40.4 pt -80.71 -23.66 11.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 112.923 0.712 . . . . 14.88 112.923 -178.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . 0.569 ' O ' ' HG2' ' C' ' 26' ' ' LYS . 28.7 tt0 -104.56 143.12 33.49 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.653 0.263 . . . . 15.23 110.886 -179.605 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . 0.481 ' HA ' ' C ' ' C' ' 30' ' ' PRO . . . -64.38 140.63 98.01 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 116.132 -0.485 . . . . 18.5 110.871 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 30' ' ' PRO . . . . . 0.481 ' C ' ' HA ' ' C' ' 29' ' ' ALA . 52.1 Cg_endo -70.2 133.81 27.83 Favored 'Cis proline' 0 C--N 1.345 0.347 0 C-N-CA 123.173 -1.595 . . . . 17.48 112.1 -0.432 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 34.0 mtmt -91.13 137.9 32.01 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.326 -0.397 . . . . 17.53 110.613 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 32' ' ' PHE . . . . . 0.629 ' CE2' ' HE3' ' C' ' 26' ' ' LYS . 24.0 p90 -155.05 159.45 40.29 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.036 -0.529 . . . . 13.5 110.21 179.608 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 33' ' ' SER . . . . . . . . . . . . . 6.8 m -134.62 101.79 5.07 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.173 -0.467 . . . . 12.36 109.972 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 36.1 pt -110.95 156.67 12.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.455 -0.339 . . . . 10.72 110.477 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 35' ' ' GLU . . . . . 0.408 ' HG2' ' HA ' ' C' ' 23' ' ' THR . 45.7 mt-10 -130.59 149.85 52.06 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.824 0.345 . . . . 10.54 110.967 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 36' ' ' HIS . . . . . . . . . . . . . 31.1 t60 -157.88 141.04 15.16 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.782 -0.645 . . . . 9.85 110.0 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -86.14 99.25 11.38 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.088 -0.505 . . . . 9.77 109.868 179.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 38' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -88.09 -172.71 3.93 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.206 -0.452 . . . . 9.82 110.451 -179.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.46 147.19 41.35 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 116.236 -0.438 . . . . 11.97 110.168 179.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -68.38 -15.19 41.75 Favored 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 122.456 2.104 . . . . 12.89 112.486 -179.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 41' ' ' SER . . . . . . . . . . . . . 1.4 m -91.59 4.19 53.23 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.252 -0.431 . . . . 14.42 111.025 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 42' ' ' ASP . . . . . 0.4 ' O ' ' HG ' ' C' ' 78' ' ' LEU . 85.7 m-20 -93.23 157.87 16.04 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.037 0.446 . . . . 11.77 111.088 -179.637 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 43' ' ' THR . . . . . 0.463 ' HA ' ' HA ' ' C' ' 77' ' ' PHE . 0.3 OUTLIER -103.09 167.18 9.99 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.857 -0.61 . . . . 11.4 109.668 179.697 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 44' ' ' ILE . . . . . 0.742 HG23 HD12 ' C' ' 65' ' ' LEU . 11.6 mm -55.89 -31.88 31.35 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 CA-C-O 121.193 0.52 . . . . 7.86 110.497 179.312 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 59.9 tp -56.99 -31.99 65.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.551 -0.75 . . . . 12.88 111.593 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 46' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -64.12 -38.33 90.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.766 0.317 . . . . 12.18 111.182 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 64.9 mt -66.05 -41.85 90.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 108.967 -0.753 . . . . 8.04 108.967 178.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 48' ' ' LYS . . . . . 0.619 ' HD3' HG23 ' C' ' 60' ' ' ILE . 77.5 mttt -61.81 -44.46 96.81 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.358 -0.837 . . . . 10.51 110.088 178.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -61.45 -40.64 95.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.753 -0.658 . . . . 13.94 111.09 179.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 44.7 t60 -65.94 -34.87 79.11 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.367 -0.379 . . . . 11.16 110.935 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 89.4 mt -64.19 -36.4 83.95 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.333 -0.394 . . . . 12.37 110.663 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 52' ' ' ILE . . . . . . . . . . . . . 49.8 mt -74.61 -43.18 48.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.232 -0.44 . . . . 15.35 110.68 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 12.4 p -64.94 -28.46 69.54 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.908 0.385 . . . . 15.02 110.952 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 54' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -89.82 10.25 24.32 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.326 -0.397 . . . . 14.38 110.776 178.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 55.3 39.22 31.24 Favored 'General case' 0 C--O 1.233 0.215 0 N-CA-C 113.234 0.827 . . . . 18.85 113.234 179.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 56' ' ' LYS . . . . . 0.433 ' HB3' ' CZ ' ' C' ' 32' ' ' PHE . 48.2 mmtm -98.02 -23.81 15.62 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.169 0.509 . . . . 14.47 109.766 179.202 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -138.73 179.61 6.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.49 -0.777 . . . . 15.28 109.482 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 58' ' ' SER . . . . . . . . . . . . . 3.7 m -117.53 -49.74 2.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.831 0.348 . . . . 17.75 111.725 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 59' ' ' HIS . . . . . 0.589 ' HB2' ' HG3' ' C' ' 62' ' ' GLU . 97.9 m-70 -121.67 151.05 40.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.958 0.408 . . . . 19.22 111.609 -179.682 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 60' ' ' ILE . . . . . 0.619 HG23 ' HD3' ' C' ' 48' ' ' LYS . 18.1 mm -64.0 -33.16 60.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.614 -0.721 . . . . 13.8 111.265 -179.719 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.94 -29.28 67.5 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.741 0.645 . . . . 14.67 112.741 -178.748 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 62' ' ' GLU . . . . . 0.589 ' HG3' ' HB2' ' C' ' 59' ' ' HIS . 28.5 mt-10 -71.42 -27.62 63.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.034 0.445 . . . . 16.71 111.312 -179.193 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 63' ' ' ILE . . . . . . . . . . . . . 32.3 mt -76.84 115.5 18.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.521 -0.763 . . . . 10.79 112.211 -178.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 64' ' ' LYS . . . . . 0.616 ' HB3' ' HB3' ' C' ' 93' ' ' MET . 35.8 tptt -116.78 106.36 13.39 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.535 -0.913 . . . . 9.73 108.535 178.597 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 65' ' ' LEU . . . . . 0.742 HD12 HG23 ' C' ' 44' ' ' ILE . 77.6 mt -92.84 144.07 25.64 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.752 0.311 . . . . 5.89 111.222 -179.407 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 66' ' ' LEU . . . . . 0.752 ' HB2' ' HB ' ' C' ' 91' ' ' THR . 9.6 mt -139.32 146.12 39.92 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.138 -0.483 . . . . 7.57 111.279 -179.434 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 67' ' ' LEU . . . . . 0.489 ' HB3' HD21 ' C' ' 72' ' ' LEU . 55.1 tp -147.48 111.21 5.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.056 -0.52 . . . . 7.44 109.934 178.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 13.8 mmmt 59.15 33.59 22.86 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.05 -0.523 . . . . 12.88 111.124 -179.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 93.58 -35.26 4.21 Favored Glycine 0 N--CA 1.449 -0.453 0 CA-C-N 115.713 -0.676 . . . . 8.93 112.59 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 70' ' ' LYS . . . . . 0.414 ' HE3' ' HA ' ' C' ' 70' ' ' LYS . 0.0 OUTLIER -67.09 126.16 28.31 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.846 0.355 . . . . 9.44 110.613 -179.715 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 71' ' ' VAL . . . . . 0.627 ' HA ' HD23 ' C' ' 66' ' ' LEU . 15.9 t -75.59 125.08 34.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.919 -0.582 . . . . 7.05 109.806 179.28 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 72' ' ' LEU . . . . . 0.489 HD21 ' HB3' ' C' ' 67' ' ' LEU . 28.8 mt -88.4 103.09 15.52 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.156 -0.474 . . . . 5.9 109.86 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 73' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -84.79 162.1 19.71 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.951 -0.568 . . . . 8.93 111.952 -179.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -55.95 -30.08 61.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.59 -0.732 . . . . 9.91 112.949 -178.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 75' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -91.08 23.41 3.26 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 113.187 0.81 . . . . 13.36 113.187 -177.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 76' ' ' LEU . . . . . . . . . . . . . 48.3 tp -112.43 135.72 52.78 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 122.133 -0.354 . . . . 9.58 110.483 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 77' ' ' PHE . . . . . 0.463 ' HA ' ' HA ' ' C' ' 43' ' ' THR . 21.1 m-85 -86.22 153.63 21.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.931 0.396 . . . . 14.32 111.679 -179.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 78' ' ' LEU . . . . . 0.603 ' HA ' ' HG ' ' C' ' 81' ' ' LEU . 36.1 mt -70.3 -20.58 63.01 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.088 -0.506 . . . . 9.53 111.218 -179.733 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 79' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.21 -19.82 63.97 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.14 -0.482 . . . . 12.75 111.885 -179.501 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 80' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -93.08 -14.0 27.86 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.825 0.345 . . . . 12.44 111.063 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 81' ' ' LEU . . . . . 0.603 ' HG ' ' HA ' ' C' ' 78' ' ' LEU . 36.0 mt -57.86 127.34 31.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.108 0.48 . . . . 10.15 111.76 -179.182 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 82' ' ' LYS . . . . . 0.468 ' H ' ' HG2' ' C' ' 82' ' ' LYS . 3.8 mmtt -83.21 57.45 3.97 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.749 -0.66 . . . . 12.59 109.715 179.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 1.6 m -89.31 101.64 12.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.397 0.618 . . . . 11.5 112.105 -178.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 84' ' ' THR . . . . . . . . . . . . . 33.3 p -99.28 166.44 12.96 Favored Pre-proline 0 C--N 1.321 -0.639 0 N-CA-C 108.388 -0.967 . . . . 13.96 108.388 179.205 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 85' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_exo -58.99 -24.02 71.24 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.231 1.954 . . . . 14.91 111.132 178.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -78.67 -34.11 46.5 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.841 -0.618 . . . . 15.11 111.023 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 87' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -134.75 80.85 1.87 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.323 0.583 . . . . 12.35 112.179 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 88' ' ' SER . . . . . . . . . . . . . 3.6 m -105.69 13.45 29.76 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.888 -0.597 . . . . 10.32 110.85 179.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 89' ' ' THR . . . . . . . . . . . . . 3.9 m -99.28 119.02 37.23 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.059 0.457 . . . . 9.82 111.603 -179.222 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 90' ' ' ILE . . . . . . . . . . . . . 43.9 mm -88.52 130.11 38.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 108.93 -0.767 . . . . 6.59 108.93 179.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 91' ' ' THR . . . . . 0.752 ' HB ' ' HB2' ' C' ' 66' ' ' LEU . 10.5 m -77.97 117.41 19.28 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.401 -0.363 . . . . 8.75 110.874 -179.648 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 92' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' C' ' 26' ' ' LYS . 48.2 t -103.93 111.35 33.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.187 0.517 . . . . 9.58 110.615 179.519 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 93' ' ' MET . . . . . 0.616 ' HB3' ' HB3' ' C' ' 64' ' ' LYS . 4.5 ttt -114.9 141.19 48.27 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.234 -0.654 . . . . 10.9 109.234 179.369 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 94' ' ' ILE . . . . . 0.611 HD12 ' HE2' ' C' ' 26' ' ' LYS . 51.9 mt -130.6 122.17 52.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 120.912 0.386 . . . . 13.44 110.713 179.71 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 95' ' ' LYS . . . . . . . . . . . . . 18.2 mmtp . . . . . 0 C--N 1.324 -0.518 0 CA-C-N 115.907 -0.588 . . . . 14.6 109.925 179.685 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.234 0.244 0 CA-C-O 120.571 0.224 . . . . 10.77 110.994 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 58.0 61.72 2.28 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.349 0.595 . . . . 8.07 110.194 -179.286 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.41 ' HB2' ' HG3' ' A' ' 21' ' ' GLU . 1.0 OUTLIER -65.99 143.69 57.21 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.203 -0.908 . . . . 10.11 110.579 -179.415 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.528 ' HB3' ' HE2' ' A' ' 58' ' ' PHE . 61.8 mttm -57.6 -33.85 68.63 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.094 -0.503 . . . . 10.66 111.666 -179.257 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.4 pm0 -68.94 -35.86 77.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.479 -0.328 . . . . 11.43 111.01 179.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.41 ' HG3' ' HB2' ' A' ' 18' ' ' SER . 48.3 mt-10 -65.85 -46.23 79.26 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 109.441 -0.577 . . . . 8.91 109.441 179.422 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 40.6 mt -61.49 -47.21 94.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.325 -0.852 . . . . 6.35 110.078 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.57 -42.09 91.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.072 -0.513 . . . . 7.12 110.812 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.09 -43.38 98.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.991 -0.549 . . . . 7.6 110.591 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 39.5 mt -67.24 -35.48 79.65 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.385 -0.37 . . . . 5.59 110.927 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 92.9 mt -65.82 -51.5 60.89 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 CA-C-N 116.184 -0.462 . . . . 4.33 110.527 179.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.2 m -66.27 -33.13 61.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 C-N-CA 121.005 -0.278 . . . . 6.96 111.064 179.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -66.65 -36.89 83.64 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.292 -0.632 . . . . 7.34 109.292 178.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.45 ' O ' HG13 ' A' ' 33' ' ' ILE . 57.2 t80 -62.28 -49.92 73.74 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.656 -0.702 . . . . 5.51 110.01 178.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -60.53 -40.64 92.23 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.178 -0.465 . . . . 6.35 110.422 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.494 ' O ' ' HG2' ' A' ' 35' ' ' GLU . 43.3 m -63.52 -42.75 98.45 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.803 -0.635 . . . . 8.01 110.456 179.288 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 39.1 m -59.91 -34.35 73.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.099 0.476 . . . . 8.27 110.365 179.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.45 HG13 ' O ' ' A' ' 29' ' ' TYR . 79.5 mt -67.81 -48.04 77.19 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 CA-C-N 115.896 -0.593 . . . . 8.37 110.743 179.582 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 35.1 m -72.22 -22.42 20.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 N-CA-C 112.336 0.495 . . . . 9.63 112.336 -179.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.494 ' HG2' ' O ' ' A' ' 31' ' ' SER . 31.8 mm-40 -57.65 -52.69 64.38 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.397 0.617 . . . . 10.98 110.288 178.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 24.7 pttt -97.48 5.83 49.08 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.726 -0.67 . . . . 11.09 110.631 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 37.9 tttm 55.16 55.91 7.07 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.701 -0.681 . . . . 11.72 111.223 -179.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -92.1 36.03 0.98 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.595 -0.73 . . . . 9.58 109.738 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 16.4 tt -162.32 156.1 2.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.443 -0.799 . . . . 9.5 110.088 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.95 152.58 41.33 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.082 -0.508 . . . . 9.96 110.54 179.604 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -56.63 -35.77 68.7 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.185 -0.461 . . . . 11.9 111.845 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -61.52 -44.88 96.26 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 109.835 -0.432 . . . . 10.3 109.835 179.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.46 -37.72 58.38 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.85 -0.614 . . . . 8.47 111.65 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.28 -35.61 77.8 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 121.049 0.452 . . . . 8.42 110.213 179.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -60.47 -45.01 95.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.797 -0.638 . . . . 9.73 109.763 179.171 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.5 m -65.56 -31.12 72.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.75 -0.659 . . . . 7.86 110.634 178.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 78.3 mt -70.74 -33.45 70.85 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.87 0.367 . . . . 6.77 110.326 179.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -60.17 -34.97 74.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.933 -0.576 . . . . 9.39 111.248 179.65 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.563 HG21 HD13 ' C' ' 66' ' ' LEU . 5.1 p -89.86 -38.73 11.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.403 -0.362 . . . . 9.6 111.119 179.414 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.63 -50.84 71.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.666 -0.243 . . . . 7.62 111.193 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 27.8 ttm -58.39 -37.0 74.4 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.412 0.625 . . . . 8.19 110.364 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -67.67 -42.52 82.02 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.154 -0.93 . . . . 11.12 110.522 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.463 ' HB2' ' HB2' ' B' ' 50' ' ' ALA . 79.4 m -65.52 -37.34 86.47 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.1 -0.5 . . . . 9.77 110.796 179.509 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 84.2 mt -63.05 -41.8 94.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.149 0.5 . . . . 9.06 109.785 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.537 ' HA ' ' CE1' ' A' ' 60' ' ' PHE . 16.6 m -59.2 -53.35 59.28 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.473 -0.785 . . . . 10.96 111.719 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -65.69 -35.95 82.23 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 112.101 0.408 . . . . 12.89 112.101 -179.083 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.52 -36.46 83.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.457 -0.338 . . . . 11.68 111.799 -179.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.528 ' HE2' ' HB3' ' A' ' 19' ' ' LYS . 57.8 m-85 -91.86 -2.88 56.65 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.803 0.335 . . . . 11.93 111.866 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.66 30.51 68.5 Favored Glycine 0 CA--C 1.519 0.3 0 C-N-CA 121.161 -0.543 . . . . 13.13 113.618 179.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.537 ' CE1' ' HA ' ' A' ' 55' ' ' SER . 7.5 p90 -128.99 145.32 51.27 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.875 0.337 . . . . 12.01 110.206 179.649 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.499 ' HG3' ' HB2' ' A' ' 64' ' ' ALA . 4.4 pt-20 -83.36 144.41 29.68 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.905 0.383 . . . . 14.85 111.412 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 27.0 ttp180 -58.03 -32.93 68.44 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.565 -0.743 . . . . 11.66 111.585 -179.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.72 2.21 23.63 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.713 0.634 . . . . 13.0 112.713 -179.239 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.499 ' HB2' ' HG3' ' A' ' 61' ' ' GLU . . . -105.0 3.09 30.23 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.809 0.338 . . . . 12.82 111.301 -179.722 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.3 p -58.53 -39.78 76.58 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 CA-C-N 116.262 -0.426 . . . . 10.88 111.331 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.38 -37.41 86.9 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.108 -0.497 . . . . 12.04 110.822 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -69.29 -45.44 61.04 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.928 -0.653 . . . . 12.77 111.758 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 87.3 mt -61.87 -47.53 92.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.745 0.307 . . . . 11.54 110.621 179.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 89.6 mt -63.58 -37.83 88.83 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.46 -0.337 . . . . 10.42 111.217 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -65.15 -31.56 81.12 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 121.092 -0.575 . . . . 12.46 113.261 -179.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -96.13 8.36 44.01 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.131 0.419 . . . . 14.12 112.131 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 19.4 m -118.03 170.2 9.04 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.587 -0.278 . . . . 10.83 110.436 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -71.95 -23.54 61.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.887 0.375 . . . . 10.68 111.422 -179.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -82.43 39.41 0.6 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.207 -0.451 . . . . 8.37 112.05 -178.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 12.2 ptmt -87.15 120.61 28.61 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.989 0.423 . . . . 12.83 111.009 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 90.17 12.78 61.26 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.971 -0.633 . . . . 9.82 112.168 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -125.71 159.01 33.38 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.852 0.358 . . . . 8.93 110.649 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 4.3 m80 -122.11 158.43 29.3 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.075 -0.713 . . . . 8.72 109.075 179.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 20.8 tp -58.19 -31.66 67.51 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.809 0.338 . . . . 4.7 111.518 -179.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.31 -58.7 5.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.089 -0.505 . . . . 5.96 111.549 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -60.87 -37.89 83.69 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 112.612 0.597 . . . . 7.82 112.612 -179.371 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.79 -47.86 89.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.887 0.375 . . . . 5.79 110.469 179.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.9 mp -72.31 -23.98 61.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 5.97 110.885 179.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.413 ' OD1' ' HA ' ' B' ' 16' ' ' SER . 25.4 t30 -71.61 -33.97 69.44 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.202 -0.454 . . . . 9.2 110.272 179.422 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 11.1 m -82.17 -9.19 59.6 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.645 -0.707 . . . . 7.98 110.744 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -69.03 96.8 0.81 Allowed 'General case' 0 C--O 1.237 0.426 0 CA-C-O 121.329 0.585 . . . . 7.06 111.091 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 12.8 m -86.78 108.39 18.69 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.578 -0.737 . . . . 9.21 109.87 179.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -125.4 127.35 46.42 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.081 -0.509 . . . . 9.55 109.98 -179.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 13.3 t -106.52 116.64 58.73 Favored Pre-proline 0 C--N 1.319 -0.738 0 N-CA-C 109.663 -0.495 . . . . 12.15 109.663 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_exo -71.61 73.48 2.3 Favored 'Trans proline' 0 C--O 1.233 0.256 0 C-N-CA 123.174 2.583 . . . . 12.82 112.195 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -80.07 90.7 5.43 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.026 -0.534 . . . . 14.19 110.929 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 40.4 m . . . . . 0 C--O 1.248 0.987 0 N-CA-C 109.208 -0.664 . . . . 15.67 109.208 179.766 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' MET . . . . . 0.545 ' HB3' ' OE2' ' B' ' 73' ' ' GLU . 50.0 ttp . . . . . 0 N--CA 1.48 1.061 0 CA-C-O 120.641 0.258 . . . . 11.23 110.855 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . 0.44 ' HG2' ' OE2' ' B' ' 73' ' ' GLU . 94.3 mmm -80.97 53.83 2.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.713 -0.221 . . . . 13.11 110.968 179.666 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . 0.413 ' HA ' ' OD1' ' A' ' 84' ' ' ASN . 14.7 m 62.95 101.12 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.066 -0.515 . . . . 11.45 111.214 -178.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.61 103.7 0.22 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.043 -0.526 . . . . 8.27 111.286 -179.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 1.4 m -78.41 163.52 25.56 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.692 -0.686 . . . . 9.28 110.684 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -59.67 -43.87 93.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.287 -0.415 . . . . 8.44 111.339 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 6.9 pm0 -63.76 -36.19 83.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.288 -0.414 . . . . 9.58 111.295 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -69.64 -44.35 70.8 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.109 -0.496 . . . . 8.61 110.707 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 90.3 mt -65.53 -43.58 94.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.144 -0.48 . . . . 4.87 110.129 179.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.0 -38.48 82.72 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.889 -0.596 . . . . 4.42 110.951 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.76 -39.58 89.29 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.346 -0.388 . . . . 5.79 110.678 179.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 77.7 mt -71.42 -34.94 70.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 4.52 110.403 179.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 97.9 mt -64.61 -51.13 71.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.934 -0.576 . . . . 4.37 110.526 179.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 30.6 m -66.78 -31.77 55.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.546 -0.297 . . . . 6.25 110.86 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -64.29 -42.49 96.38 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.56 -0.533 . . . . 6.91 109.56 178.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -61.34 -47.96 83.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.572 -0.74 . . . . 7.07 110.332 179.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 19.9 m-30 -62.18 -39.13 91.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.276 -0.42 . . . . 8.36 110.894 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 41.3 m -65.98 -33.87 76.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.077 -0.511 . . . . 9.5 110.515 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 33.6 m -70.05 -24.07 63.2 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.099 0.476 . . . . 9.77 110.919 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.753 HG23 ' HB2' ' B' ' 38' ' ' GLU . 91.3 mt -77.23 -46.85 27.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.969 -0.56 . . . . 11.09 110.03 179.528 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 35.5 m -80.33 -2.91 5.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.008 -0.542 . . . . 12.38 111.368 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.02 -41.83 34.46 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.738 -0.665 . . . . 13.19 110.789 179.508 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 10.3 pttm -115.01 8.44 15.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.482 -0.326 . . . . 13.7 111.528 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 21.1 ttmm 60.91 67.14 0.84 Allowed 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.513 -0.767 . . . . 15.86 112.006 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . 0.753 ' HB2' HG23 ' B' ' 33' ' ' ILE . 50.7 mt-10 -86.51 -20.74 27.59 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.999 -0.546 . . . . 12.56 110.348 179.203 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . 0.49 HG13 ' H ' ' B' ' 40' ' ' SER . 7.9 tp -116.01 169.89 6.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.144 -0.48 . . . . 13.67 110.744 -179.202 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' SER . . . . . 0.49 ' H ' HG13 ' B' ' 39' ' ' ILE . 5.6 p -72.29 168.16 18.91 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.878 0.37 . . . . 15.14 111.378 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.7 -32.14 73.17 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.855 0.687 . . . . 16.66 112.855 -179.271 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . 0.523 ' HB3' ' HB2' ' C' ' 29' ' ' ALA . 20.4 p-10 -74.64 -42.07 59.21 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.742 -0.383 . . . . 15.52 110.506 179.236 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.43 -35.6 91.57 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.792 -0.718 . . . . 13.17 111.416 178.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.06 -32.01 73.51 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.813 0.339 . . . . 12.42 110.798 179.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -67.5 -49.32 63.99 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.386 -0.598 . . . . 13.38 109.386 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 3.6 m -61.15 -40.56 94.3 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.81 -0.632 . . . . 11.72 110.655 179.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 47.1 mt -62.13 -37.33 84.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.247 -0.433 . . . . 9.64 110.758 179.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -65.32 -36.64 84.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.072 -0.513 . . . . 11.12 109.845 179.537 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 98.7 t -70.07 -48.63 61.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.048 -0.524 . . . . 10.04 109.719 179.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . 0.463 ' HB2' ' HB2' ' A' ' 53' ' ' CYS . . . -60.54 -36.23 77.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.993 -0.549 . . . . 8.26 110.923 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' MET . . . . . 0.613 ' SD ' ' HD3' ' B' ' 62' ' ' ARG . 43.9 ttm -55.62 -41.18 73.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.101 -0.5 . . . . 7.93 110.931 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -72.73 -46.04 55.59 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.834 -0.621 . . . . 9.48 110.554 179.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' CYS . . . . . 0.427 ' SG ' ' HA2' ' C' ' 69' ' ' GLY . 27.6 m -57.1 -42.74 81.36 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.703 -0.68 . . . . 8.11 111.66 -179.705 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 95.2 mt -66.7 -43.77 89.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.84 0.352 . . . . 6.13 110.668 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . 0.418 ' HB3' ' O ' ' B' ' 60' ' ' PHE . 49.2 m -58.22 -52.3 66.17 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.989 -0.55 . . . . 7.39 112.167 -179.35 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -67.99 -31.52 71.28 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.237 0.458 . . . . 8.81 112.237 -179.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.54 -46.45 85.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.846 0.355 . . . . 7.38 111.422 -179.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -81.86 -22.02 37.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 8.09 111.848 -179.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.83 56.39 1.52 Allowed Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.704 -0.76 . . . . 9.43 113.141 179.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . 0.418 ' O ' ' HB3' ' B' ' 55' ' ' SER . 21.3 p90 -161.68 170.29 19.98 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.825 -0.435 . . . . 8.7 109.825 179.074 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -119.39 147.12 44.72 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.766 0.317 . . . . 11.16 110.783 179.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . 0.613 ' HD3' ' SD ' ' B' ' 51' ' ' MET . 49.8 ttp180 -57.06 -34.95 68.78 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.667 -0.697 . . . . 10.74 111.554 -179.478 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 18.9 mp0 -69.22 -5.14 20.85 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.53 0.567 . . . . 11.8 112.53 -179.143 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -116.0 13.86 15.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.756 0.312 . . . . 10.53 111.204 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 8.1 p -64.93 -31.42 53.82 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 CA-C-N 116.446 -0.343 . . . . 9.11 111.852 -179.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 1.7 m -67.19 -32.37 73.4 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 121.032 0.444 . . . . 10.71 110.989 -179.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -71.96 -28.28 68.94 Favored Glycine 0 N--CA 1.451 -0.351 0 N-CA-C 111.729 -0.548 . . . . 11.05 111.729 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 59.4 mt -81.27 -53.22 12.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.949 0.404 . . . . 9.74 109.996 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 78.4 mt -61.31 -33.15 73.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.067 -0.515 . . . . 9.17 111.675 -179.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -79.05 -10.9 85.72 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.987 -0.625 . . . . 11.56 112.271 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -98.14 -39.21 9.0 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.233 0.54 . . . . 12.46 110.048 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 68.9 m -79.05 168.79 19.17 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.625 -0.716 . . . . 9.82 110.938 179.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.545 ' OE2' ' HB3' ' B' ' 14' ' ' MET . 1.3 mt-10 -80.8 14.59 2.1 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.033 -0.531 . . . . 10.24 111.219 -179.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -97.71 7.38 46.53 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.938 0.399 . . . . 7.68 110.946 -179.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 11.3 ptmt -65.19 122.69 17.68 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.953 -0.567 . . . . 11.56 110.992 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 89.0 10.45 66.44 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.706 -0.759 . . . . 8.65 111.567 -179.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -125.31 159.38 31.86 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.939 0.399 . . . . 7.58 110.267 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 36.2 m80 -125.63 156.92 38.45 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.038 -0.727 . . . . 7.9 109.038 179.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 27.0 tp -57.34 -45.17 84.56 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.844 0.354 . . . . 4.14 111.274 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.52 -35.72 79.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 5.79 111.079 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -63.12 -40.78 98.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.918 -0.583 . . . . 6.75 111.373 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 82.6 mt -70.43 -42.68 78.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.969 -0.56 . . . . 4.76 111.26 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 6.9 mp -64.95 -24.44 67.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.019 0.437 . . . . 5.48 111.66 -179.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 28.2 t30 -75.27 -42.6 54.64 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.068 -0.514 . . . . 7.63 110.943 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.85 -48.72 10.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.027 -0.533 . . . . 6.84 112.06 -178.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -76.33 93.06 3.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.194 0.521 . . . . 6.55 110.941 -179.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 22.0 m -129.85 160.4 33.63 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.011 -0.541 . . . . 8.4 110.931 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 55.8 mtp180 -136.59 156.2 48.89 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.337 -0.392 . . . . 10.35 109.971 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 46.9 t -85.7 118.21 70.18 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 116.282 -0.417 . . . . 11.96 110.147 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo . . . . . 0 C--N 1.343 0.27 0 C-N-CA 123.034 2.49 . . . . 13.1 112.556 -179.815 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 24.6 t . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.446 -0.576 . . . . 9.95 109.446 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 21' ' ' HIS . . . . . . . . . . . . . 50.1 t60 -76.33 123.86 26.6 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.884 -0.598 . . . . 9.34 110.923 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 22' ' ' LEU . . . . . . . . . . . . . 92.7 mt -133.92 139.67 46.3 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.123 -0.489 . . . . 6.88 110.8 179.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 23' ' ' THR . . . . . 0.714 HG23 ' HG2' ' C' ' 35' ' ' GLU . 5.7 m -105.13 117.56 34.31 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.077 -0.712 . . . . 8.91 109.077 179.281 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 24' ' ' LEU . . . . . 0.48 HD23 ' HB ' ' C' ' 90' ' ' ILE . 31.3 mt -97.14 119.29 35.35 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.832 -0.167 . . . . 8.66 110.929 -179.028 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 25' ' ' LYS . . . . . 0.479 ' HA ' ' O ' ' C' ' 32' ' ' PHE . 29.1 tttt -129.36 130.47 46.09 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 123.266 0.354 . . . . 13.38 111.395 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 26' ' ' LYS . . . . . 0.4 ' HA ' ' O ' ' C' ' 92' ' ' VAL . 26.8 ttpp -94.54 136.9 34.32 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.999 -0.371 . . . . 14.09 109.999 179.28 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 27' ' ' ILE . . . . . . . . . . . . . 9.1 pt -83.31 -38.63 14.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 112.165 0.432 . . . . 14.88 112.165 -179.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 15.0 mp0 -69.46 133.85 48.23 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.776 -0.193 . . . . 15.23 110.673 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . 0.523 ' HB2' ' HB3' ' B' ' 42' ' ' ASP . . . -69.18 142.45 92.78 Favored Pre-proline 0 C--N 1.33 -0.28 0 O-C-N 123.157 0.286 . . . . 18.5 110.445 179.342 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 30' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -75.03 140.8 69.31 Favored 'Cis proline' 0 C--N 1.343 0.243 0 C-N-CA 123.341 -1.525 . . . . 17.48 112.017 -0.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 31' ' ' LYS . . . . . 0.41 ' CE ' ' HA ' ' B' ' 42' ' ' ASP . 89.2 mttt -83.44 150.63 25.91 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.503 -0.317 . . . . 17.53 111.218 -179.405 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 32' ' ' PHE . . . . . 0.479 ' O ' ' HA ' ' C' ' 25' ' ' LYS . 17.8 p90 -150.21 147.76 28.09 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.896 -0.593 . . . . 13.5 109.812 178.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 33' ' ' SER . . . . . . . . . . . . . 15.0 m -131.93 101.16 5.32 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.427 -0.351 . . . . 12.36 110.281 179.174 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . 0.421 HG12 ' HE1' ' C' ' 32' ' ' PHE . 42.7 pt -108.03 149.23 11.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.477 -0.329 . . . . 10.72 110.114 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 35' ' ' GLU . . . . . 0.714 ' HG2' HG23 ' C' ' 23' ' ' THR . 6.3 mt-10 -121.31 144.45 48.63 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.113 0.482 . . . . 10.54 111.343 -179.398 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 36' ' ' HIS . . . . . . . . . . . . . 16.2 t60 -159.01 157.7 31.75 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.833 -0.621 . . . . 9.85 109.921 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -112.78 113.54 25.68 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.938 0.399 . . . . 9.77 109.996 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 38' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -97.7 177.51 5.46 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.156 -0.474 . . . . 9.82 110.728 -179.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -96.25 153.84 38.91 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 116.36 -0.382 . . . . 11.97 110.07 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -66.15 -23.53 52.77 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.387 2.058 . . . . 12.89 111.387 179.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.33 -5.12 59.25 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.676 -0.693 . . . . 14.42 111.542 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 42' ' ' ASP . . . . . 0.452 ' O ' ' HG ' ' C' ' 78' ' ' LEU . 13.9 m-20 -77.0 159.65 29.75 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 120.908 0.385 . . . . 11.77 110.421 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 74.1 p -115.86 174.2 6.15 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.43 -0.581 . . . . 11.4 109.43 179.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 44' ' ' ILE . . . . . 0.491 HG23 HD12 ' C' ' 65' ' ' LEU . 47.7 mm -62.27 -29.99 47.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.12 0.486 . . . . 7.86 110.044 179.217 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 45.4 tp -62.44 -36.2 81.64 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 115.766 -0.652 . . . . 12.88 110.711 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 46' ' ' GLN . . . . . 0.436 ' HA ' ' OE1' ' C' ' 49' ' ' GLN . 1.4 mp0 -63.08 -36.79 84.75 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.35 -0.386 . . . . 12.18 110.704 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 60.7 mt -65.77 -42.94 93.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 109.361 -0.607 . . . . 8.04 109.361 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -61.75 -45.39 94.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.516 -0.766 . . . . 10.51 110.411 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . 0.436 ' OE1' ' HA ' ' C' ' 46' ' ' GLN . 73.3 mt-30 -61.26 -34.66 75.54 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.194 -0.457 . . . . 13.94 110.664 179.579 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 50' ' ' HIS . . . . . 0.602 ' O ' ' HG2' ' C' ' 54' ' ' GLU . 11.0 t60 -73.39 -30.71 63.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.031 -0.531 . . . . 11.16 111.343 -179.545 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 30.9 mt -66.68 -27.38 67.61 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.975 0.417 . . . . 12.37 111.025 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 52' ' ' ILE . . . . . . . . . . . . . 56.2 mt -73.98 -40.94 52.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.117 -0.492 . . . . 15.35 110.542 179.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 3.7 p -67.75 -27.53 66.86 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.945 0.403 . . . . 15.02 111.208 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 54' ' ' GLU . . . . . 0.602 ' HG2' ' O ' ' C' ' 50' ' ' HIS . 6.6 mm-40 -86.61 8.88 20.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.357 -0.383 . . . . 14.38 110.077 179.352 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 58.73 36.44 24.87 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 115.569 -0.741 . . . . 18.85 112.778 179.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 41.5 mmtm -103.9 -10.32 18.26 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.518 -0.31 . . . . 14.47 111.244 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.63 169.28 21.94 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 116.418 -0.355 . . . . 15.28 110.358 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 58' ' ' SER . . . . . . . . . . . . . 41.3 t -113.44 -44.45 3.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.825 0.345 . . . . 17.75 110.934 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 59' ' ' HIS . . . . . 0.66 ' HB2' ' HG3' ' C' ' 62' ' ' GLU . 97.6 m-70 -125.93 154.01 43.43 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.34 -0.391 . . . . 19.22 111.257 -179.646 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 60' ' ' ILE . . . . . 0.412 ' HA ' HD12 ' C' ' 63' ' ' ILE . 35.0 mm -66.27 -36.88 78.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.856 -0.611 . . . . 13.8 110.096 179.34 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.04 -21.95 66.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.516 -0.766 . . . . 14.67 112.066 -179.304 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 62' ' ' GLU . . . . . 0.66 ' HG3' ' HB2' ' C' ' 59' ' ' HIS . 68.1 mt-10 -78.76 -28.53 44.79 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.332 -0.395 . . . . 16.71 110.621 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 63' ' ' ILE . . . . . 0.412 HD12 ' HA ' ' C' ' 60' ' ' ILE . 17.8 mt -78.69 108.82 12.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 113.184 0.809 . . . . 10.79 113.184 -177.459 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 64' ' ' LYS . . . . . 0.804 ' HB3' ' HB2' ' C' ' 93' ' ' MET . 79.2 tttt -113.9 111.2 21.33 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.059 -1.089 . . . . 9.73 108.059 178.478 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 65' ' ' LEU . . . . . 0.491 HD12 HG23 ' C' ' 44' ' ' ILE . 86.5 mt -102.13 150.24 23.47 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.912 0.386 . . . . 5.89 111.852 -178.665 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 66' ' ' LEU . . . . . 0.563 HD13 HG21 ' A' ' 49' ' ' VAL . 0.7 OUTLIER -139.94 146.22 38.9 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.073 -0.512 . . . . 7.57 111.202 179.759 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 67' ' ' LEU . . . . . 0.429 ' N ' ' HG ' ' C' ' 66' ' ' LEU . 69.2 tp -137.43 90.7 2.53 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.774 -0.648 . . . . 7.44 109.792 178.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 68' ' ' LYS . . . . . 0.426 ' HB3' ' HE3' ' C' ' 68' ' ' LYS . 0.0 OUTLIER 59.31 73.53 0.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.786 -0.643 . . . . 12.88 111.938 179.586 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 69' ' ' GLY . . . . . 0.427 ' HA2' ' SG ' ' B' ' 53' ' ' CYS . . . 75.71 -42.35 1.52 Allowed Glycine 0 CA--C 1.523 0.557 0 N-CA-C 114.378 0.511 . . . . 8.93 114.378 179.126 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 70' ' ' LYS . . . . . 0.828 ' HE3' ' HA ' ' C' ' 70' ' ' LYS . 0.0 OUTLIER -78.17 138.14 38.54 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.885 0.374 . . . . 9.44 111.857 -179.42 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 71' ' ' VAL . . . . . . . . . . . . . 94.3 t -85.48 130.07 36.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.044 -0.526 . . . . 7.05 109.645 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 72' ' ' LEU . . . . . 0.47 ' HB2' ' HB2' ' C' ' 65' ' ' LEU . 69.3 mt -80.91 100.81 9.08 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.14 0.495 . . . . 5.9 110.465 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 73' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -82.53 153.37 25.58 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.524 -0.762 . . . . 8.93 110.374 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -56.56 -39.33 73.26 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.965 0.412 . . . . 9.91 111.187 -179.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 75' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -80.84 66.15 6.25 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.697 -0.683 . . . . 13.36 111.002 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 76' ' ' LEU . . . . . . . . . . . . . 63.8 tp -157.16 132.34 9.01 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.647 -0.706 . . . . 9.58 109.862 179.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -88.3 146.96 25.02 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.254 -0.43 . . . . 14.32 110.824 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 78' ' ' LEU . . . . . 0.711 ' HA ' ' HG ' ' C' ' 81' ' ' LEU . 17.4 mt -69.37 -12.54 61.75 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.149 -0.478 . . . . 9.53 111.297 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 79' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.24 -10.11 59.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.983 0.42 . . . . 12.75 111.052 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 80' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -112.13 8.8 20.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.429 0.633 . . . . 12.44 110.41 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 81' ' ' LEU . . . . . 0.711 ' HG ' ' HA ' ' C' ' 78' ' ' LEU . 14.9 mt -73.87 124.09 25.47 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.036 -0.529 . . . . 10.15 110.553 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 82' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -82.63 64.61 7.35 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.219 0.533 . . . . 12.59 110.324 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 11.9 m -105.39 137.62 34.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.784 -0.643 . . . . 11.5 111.361 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 84' ' ' THR . . . . . 0.653 ' HB ' ' HD2' ' C' ' 85' ' ' PRO . 19.5 p -134.89 175.35 3.7 Favored Pre-proline 0 C--N 1.321 -0.666 0 N-CA-C 108.957 -0.757 . . . . 13.96 108.957 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 85' ' ' PRO . . . . . 0.653 ' HD2' ' HB ' ' C' ' 84' ' ' THR . 76.6 Cg_exo -53.31 -28.47 43.27 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 122.468 2.112 . . . . 14.91 112.014 178.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -80.39 -61.83 1.86 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.952 0.406 . . . . 15.11 110.566 179.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 87' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -101.36 87.47 3.22 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.054 0.454 . . . . 12.35 111.959 -179.678 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 88' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -121.1 8.99 10.42 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.817 -0.629 . . . . 10.32 110.033 179.397 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 89' ' ' THR . . . . . . . . . . . . . 2.4 m -99.21 131.94 44.88 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.627 -0.715 . . . . 9.82 111.233 -179.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 90' ' ' ILE . . . . . 0.48 ' HB ' HD23 ' C' ' 24' ' ' LEU . 46.8 mm -104.0 131.24 53.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 109.185 -0.672 . . . . 6.59 109.185 179.679 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 91' ' ' THR . . . . . 0.427 ' HB ' ' HB3' ' C' ' 66' ' ' LEU . 7.3 m -82.71 123.66 29.5 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.848 0.356 . . . . 8.75 110.885 -179.741 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 92' ' ' VAL . . . . . 0.4 ' O ' ' HA ' ' C' ' 26' ' ' LYS . 29.1 t -106.05 127.99 60.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.007 -0.542 . . . . 9.58 110.475 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 93' ' ' MET . . . . . 0.804 ' HB2' ' HB3' ' C' ' 64' ' ' LYS . 79.8 mtp -125.21 145.64 49.88 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.125 -0.695 . . . . 10.9 109.125 178.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 94' ' ' ILE . . . . . 0.507 ' HA ' ' O ' ' C' ' 62' ' ' GLU . 74.3 mt -124.59 120.96 60.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 123.222 0.326 . . . . 13.44 110.445 179.326 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 95' ' ' LYS . . . . . 0.43 ' O ' ' HA ' ' C' ' 62' ' ' GLU . 16.4 mmtp . . . . . 0 C--N 1.326 -0.417 0 CA-C-N 116.203 -0.453 . . . . 14.6 111.15 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.9 m . . . . . 0 C--O 1.234 0.262 0 N-CA-C 112.628 0.603 . . . . 10.77 112.628 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 61.96 53.81 2.96 Favored 'General case' 0 N--CA 1.462 0.148 0 N-CA-C 108.417 -0.957 . . . . 8.07 108.417 -178.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.5 m -71.74 167.17 20.46 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.388 -1.278 . . . . 10.11 112.262 -178.29 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 18.3 mtmm -56.1 -42.63 77.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.626 -0.716 . . . . 10.66 112.138 -179.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.8 pm0 -67.45 -35.61 79.54 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.571 0.224 . . . . 11.43 111.181 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -68.32 -43.17 78.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.106 0.479 . . . . 8.91 110.139 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 87.2 mt -69.03 -42.52 82.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.719 -0.673 . . . . 6.35 110.428 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.53 -39.24 79.59 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.272 -0.422 . . . . 7.12 110.946 179.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.89 -39.74 90.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.849 -0.614 . . . . 7.6 110.502 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 77.6 mt -68.51 -38.76 81.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.435 . . . . 5.59 110.644 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 88.1 mt -61.41 -52.97 54.93 Favored 'Isoleucine or valine' 0 C--O 1.236 0.351 0 CA-C-N 115.75 -0.659 . . . . 4.33 110.428 179.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 26.9 m -66.94 -32.5 58.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.406 -0.361 . . . . 6.96 110.973 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 32.5 t30 -61.27 -43.92 98.09 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.962 0.411 . . . . 7.34 109.901 178.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.45 ' O ' HG13 ' A' ' 33' ' ' ILE . 22.0 t80 -63.71 -49.56 72.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.022 -0.535 . . . . 5.51 110.247 179.377 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -58.0 -43.14 86.47 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.31 -0.404 . . . . 6.35 110.909 179.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 46.8 m -61.8 -43.05 99.61 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.989 -0.55 . . . . 8.01 110.408 179.29 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.547 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 19.7 m -64.24 -34.3 77.79 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.221 -0.445 . . . . 8.27 110.708 179.634 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.45 HG13 ' O ' ' A' ' 29' ' ' TYR . 96.8 mt -62.18 -48.18 89.63 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 CA-C-N 116.221 -0.445 . . . . 8.37 111.234 179.521 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 22.0 m -73.69 -27.53 23.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 112.141 0.423 . . . . 9.63 112.141 -179.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -63.87 -39.12 93.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.753 0.311 . . . . 10.98 111.797 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.547 ' HG2' ' O ' ' A' ' 32' ' ' SER . 18.6 pttt -106.45 11.17 31.06 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.813 0.301 . . . . 11.09 111.813 -179.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 34.7 tttm 53.38 61.72 3.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.983 -0.553 . . . . 11.72 112.064 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -95.45 7.25 46.78 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.937 -0.574 . . . . 9.58 110.63 179.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 16.3 tt -142.07 159.2 20.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.743 -0.662 . . . . 9.5 109.61 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.37 163.53 27.49 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.765 0.317 . . . . 9.96 110.954 -179.707 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.462 ' CD ' ' H ' ' A' ' 41' ' ' GLU . 16.6 mp0 -57.93 -38.87 76.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.261 0.553 . . . . 11.9 109.812 179.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -57.3 -44.81 84.42 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.084 -0.962 . . . . 10.3 110.933 179.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.05 -33.77 70.03 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 121.1 -0.571 . . . . 8.47 112.255 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.91 -33.92 76.81 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.145 0.498 . . . . 8.42 110.143 179.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -61.58 -46.33 90.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.488 -0.778 . . . . 9.73 110.189 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -65.82 -35.05 79.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.876 -0.602 . . . . 7.86 110.829 179.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 71.1 mt -66.69 -27.74 67.89 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 116.441 -0.345 . . . . 6.77 111.415 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -60.48 -29.95 69.38 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.008 -0.542 . . . . 9.39 111.271 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.51 HG11 HD22 ' C' ' 66' ' ' LEU . 7.2 p -102.31 -34.56 3.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 C-N-CA 120.709 -0.396 . . . . 9.6 111.505 179.329 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.547 ' HB2' ' HB2' ' B' ' 53' ' ' CYS . . . -59.55 -52.6 64.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.481 -0.327 . . . . 7.62 111.459 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 43.0 ttm -62.87 -37.24 86.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.123 0.487 . . . . 8.19 110.754 -179.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.404 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 36.8 t0 -63.29 -45.7 90.17 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.614 -0.721 . . . . 11.12 110.932 -179.579 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 83.5 m -64.55 -43.48 93.79 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.117 -0.492 . . . . 9.77 111.409 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 96.5 mt -59.37 -42.99 89.22 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-O 120.84 0.353 . . . . 9.06 110.916 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.514 ' HA ' ' CE1' ' A' ' 60' ' ' PHE . 18.4 m -57.81 -58.41 8.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.794 -0.639 . . . . 10.96 112.016 -179.333 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.404 ' HG2' ' O ' ' A' ' 52' ' ' ASP . 6.9 pt-20 -65.27 -31.64 72.89 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.846 0.684 . . . . 12.89 112.846 -178.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.59 -49.35 71.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.638 0.256 . . . . 11.68 111.203 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -76.42 -15.39 59.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.892 0.377 . . . . 11.93 111.47 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.26 32.11 20.86 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.759 -0.734 . . . . 13.13 112.887 179.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.514 ' CE1' ' HA ' ' A' ' 55' ' ' SER . 17.1 p90 -128.9 156.22 44.04 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.796 0.331 . . . . 12.01 110.611 179.602 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 74.3 mt-10 -96.16 142.76 27.96 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.581 -0.282 . . . . 14.85 110.704 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 43.4 ttp180 -58.71 -40.91 85.07 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.145 0.498 . . . . 11.66 110.787 179.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.9 -7.44 48.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.775 -0.648 . . . . 13.0 111.782 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -98.71 5.3 47.71 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 111.696 0.258 . . . . 12.82 111.696 -179.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 13.5 p -59.8 -36.72 67.89 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 CA-C-O 120.896 0.379 . . . . 10.88 111.173 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -65.32 -34.08 77.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.11 -0.496 . . . . 12.04 110.189 179.461 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -69.68 -48.75 40.84 Favored Glycine 0 N--CA 1.443 -0.879 0 CA-C-N 115.738 -0.665 . . . . 12.77 111.943 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 49.8 mt -60.05 -51.5 72.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.688 0.28 . . . . 11.54 110.905 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.561 ' O ' ' HB3' ' A' ' 75' ' ' LYS . 96.2 mt -62.67 -31.91 72.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.826 0.346 . . . . 10.42 111.296 -179.633 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -68.48 -33.03 76.04 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 121.032 -0.604 . . . . 12.46 113.355 -179.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.407 ' HE2' ' HB3' ' A' ' 71' ' ' LYS . 14.8 ptpt -94.75 -23.79 17.39 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.273 0.472 . . . . 14.12 112.273 -179.336 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 14.7 m -78.75 -179.58 6.6 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.921 0.391 . . . . 10.83 111.266 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -82.35 -30.36 30.43 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.059 -0.518 . . . . 10.68 111.344 -179.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -81.95 58.71 4.01 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.109 0.48 . . . . 8.37 111.572 -178.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.561 ' HB3' ' O ' ' A' ' 69' ' ' LEU . 11.5 ptmt -98.14 115.86 29.18 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.053 0.454 . . . . 12.83 111.154 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 90.51 17.37 52.75 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.805 -0.712 . . . . 9.82 111.755 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 25.4 mm-40 -127.56 130.4 49.02 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 110.189 -0.301 . . . . 8.93 110.189 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 48.7 m80 -88.58 160.71 17.31 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.372 -0.973 . . . . 8.72 108.372 178.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 27.4 tp -57.33 -37.95 73.34 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.046 0.45 . . . . 4.7 111.131 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.78 -35.67 77.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.982 -0.554 . . . . 5.96 111.421 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -60.46 -48.46 81.66 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.032 0.444 . . . . 7.82 110.822 -179.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 53.5 mt -64.03 -47.84 88.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.788 -0.642 . . . . 5.79 110.595 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.3 mp -63.12 -33.74 76.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.876 -0.602 . . . . 5.97 111.575 -179.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -74.09 -39.22 63.56 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.315 -0.402 . . . . 9.2 110.756 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 42.2 m -65.42 -34.78 79.1 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.19 0.519 . . . . 7.98 110.049 179.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -68.86 130.95 44.27 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.748 -0.66 . . . . 7.06 110.844 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.405 ' HB3' ' HB2' ' B' ' 14' ' ' MET . 15.4 m -119.57 101.02 7.63 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.942 -0.572 . . . . 9.21 110.21 179.635 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 88' ' ' ARG . 0.1 OUTLIER -91.13 118.13 30.18 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.069 -0.514 . . . . 9.55 111.248 -179.024 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 17.5 t -97.53 107.19 37.76 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 116.108 -0.496 . . . . 12.15 109.783 179.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -75.67 111.65 3.34 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.726 2.284 . . . . 12.82 111.417 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -128.97 74.2 1.56 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.981 0.419 . . . . 14.19 110.516 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.1 p . . . . . 0 C--O 1.247 0.951 0 CA-C-N 116.006 -0.543 . . . . 15.67 110.593 179.952 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' MET . . . . . 0.405 ' HB2' ' HB3' ' A' ' 87' ' ' SER . 42.9 ttp . . . . . 0 N--CA 1.485 1.325 0 CA-C-O 120.829 0.347 . . . . 11.23 111.491 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 22.3 mmt -94.54 29.89 2.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.549 -0.296 . . . . 13.11 111.291 -179.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 11.3 m 64.54 104.65 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.236 0 O-C-N 123.681 0.613 . . . . 11.45 111.429 -179.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.8 109.96 1.6 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.811 -0.631 . . . . 8.27 111.339 -179.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -86.74 160.31 18.86 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.035 -0.53 . . . . 9.28 110.191 179.642 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -52.06 -44.17 64.16 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 113.087 0.773 . . . . 8.44 113.087 -178.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 3.9 pm0 -64.85 -37.01 86.19 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.904 0.383 . . . . 9.58 111.423 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -71.15 -38.42 72.21 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.141 -0.481 . . . . 8.61 110.345 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 79.3 mt -67.55 -45.68 84.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.923 -0.581 . . . . 4.87 109.531 178.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.65 -36.24 78.21 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.847 -0.615 . . . . 4.42 110.681 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.15 -42.61 95.25 Favored 'General case' 0 CA--C 1.522 -0.134 0 CA-C-N 116.028 -0.533 . . . . 5.79 110.515 179.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 29.5 mt -69.61 -33.33 72.51 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.323 -0.399 . . . . 4.52 110.518 179.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 98.4 mt -64.68 -52.24 57.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.912 -0.585 . . . . 4.37 110.313 179.36 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 30.6 m -66.81 -33.52 63.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-O 120.758 0.313 . . . . 6.25 110.648 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -63.64 -43.1 97.81 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.279 -0.637 . . . . 6.91 109.279 178.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -60.96 -47.45 86.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.495 -0.775 . . . . 7.07 110.448 179.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 17.5 m-30 -61.89 -39.19 91.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.045 -0.525 . . . . 8.36 110.159 179.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . 0.532 ' HA ' HG22 ' B' ' 34' ' ' VAL . 30.9 m -64.87 -36.95 86.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.032 -0.531 . . . . 9.5 110.026 178.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . 0.473 ' HA ' ' HG2' ' B' ' 35' ' ' GLU . 14.4 m -65.33 -27.81 68.86 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.167 0.508 . . . . 9.77 110.244 179.243 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.853 HG23 ' HB2' ' B' ' 38' ' ' GLU . 97.4 mt -78.59 -42.13 25.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.724 -0.671 . . . . 11.09 110.789 179.791 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . 0.532 HG22 ' HA ' ' B' ' 31' ' ' SER . 31.1 m -77.91 -25.02 14.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 113.147 0.795 . . . . 12.38 113.147 -178.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.473 ' HG2' ' HA ' ' B' ' 32' ' ' SER . 8.9 pt-20 -67.18 -49.0 66.25 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.176 0.436 . . . . 13.19 112.176 -179.606 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 20.4 pttm -96.09 4.22 52.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.833 0.349 . . . . 13.7 111.892 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 23.3 ttmm 61.93 82.9 0.16 Allowed 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 113.888 1.07 . . . . 15.86 113.888 178.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . 0.853 ' HB2' HG23 ' B' ' 33' ' ' ILE . 39.7 mt-10 -111.15 5.96 20.42 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.378 0.609 . . . . 12.56 109.495 178.159 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 10.7 tp -140.97 153.13 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.567 -0.742 . . . . 13.67 110.09 -179.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 7.0 p -62.38 159.39 15.45 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.845 0.355 . . . . 15.14 111.115 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 24.1 mp0 -57.38 -34.03 68.43 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.138 -0.483 . . . . 16.66 112.101 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . 0.415 ' HA ' ' CE ' ' C' ' 31' ' ' LYS . 2.5 p-10 -75.55 -37.69 59.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.685 0.278 . . . . 15.52 110.89 179.479 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.36 -35.37 82.05 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.908 -0.663 . . . . 13.17 111.55 179.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.57 -34.14 77.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.746 0.307 . . . . 12.42 111.007 179.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.11 -49.31 72.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 13.38 109.943 179.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 7.4 m -61.76 -39.76 92.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.599 -0.728 . . . . 11.72 110.67 179.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 41.5 mt -66.92 -38.99 87.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.417 -0.356 . . . . 9.64 110.838 179.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -60.02 -54.34 47.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 11.12 110.854 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . 0.587 HG21 HG21 ' C' ' 91' ' ' THR . 10.0 p -65.83 -32.96 60.46 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 CA-C-N 116.327 -0.397 . . . . 10.04 111.295 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.95 -39.79 93.34 Favored 'General case' 0 N--CA 1.456 -0.128 0 N-CA-C 109.675 -0.491 . . . . 8.26 109.675 178.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 64.3 mtm -63.6 -38.48 91.3 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.793 -0.64 . . . . 7.93 109.803 179.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.06 -41.35 98.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.745 -0.661 . . . . 9.48 110.229 179.304 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' CYS . . . . . 0.547 ' HB2' ' HB2' ' A' ' 50' ' ' ALA . 33.7 m -59.68 -44.72 93.5 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.635 -0.711 . . . . 8.11 110.142 179.42 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 50.6 mt -67.07 -36.89 78.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.829 -0.623 . . . . 6.13 110.268 179.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . 0.448 ' HA ' ' CE1' ' B' ' 60' ' ' PHE . 29.9 m -61.25 -58.0 10.09 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 115.799 -0.637 . . . . 7.39 112.338 -179.485 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.74 -26.18 66.01 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.339 0.496 . . . . 8.81 112.339 -178.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.42 -41.6 93.39 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.797 0.332 . . . . 7.38 110.874 179.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -86.5 -23.0 26.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.894 0.378 . . . . 8.09 111.331 179.38 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.52 26.58 7.6 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.955 -0.64 . . . . 9.43 113.475 179.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . 0.448 ' CE1' ' HA ' ' B' ' 55' ' ' SER . 21.2 p90 -128.01 179.63 5.47 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 117.042 0.421 . . . . 8.7 111.38 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . 0.485 ' HG3' ' H ' ' B' ' 63' ' ' GLU . 8.5 tp10 -125.34 152.64 44.47 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.221 -0.445 . . . . 11.16 109.801 179.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 18.1 ttp-105 -62.8 -26.01 68.52 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.219 0.533 . . . . 10.74 111.249 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . 0.485 ' H ' ' HG3' ' B' ' 61' ' ' GLU . 34.0 mm-40 -79.27 5.23 12.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.946 -0.57 . . . . 11.8 112.013 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -110.31 2.52 19.18 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.867 0.365 . . . . 10.53 111.009 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 11.3 p -58.31 -41.78 82.09 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 CA-C-N 116.202 -0.454 . . . . 9.11 111.84 -179.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.4 -34.9 79.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.053 0.454 . . . . 10.71 110.683 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.16 -37.11 72.12 Favored Glycine 0 N--CA 1.449 -0.463 0 CA-C-N 115.811 -0.631 . . . . 11.05 111.938 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 75.4 mt -69.45 -52.29 34.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.832 0.349 . . . . 9.74 110.794 179.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 83.2 mt -61.83 -32.98 73.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.042 -0.526 . . . . 9.17 111.014 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -65.92 -22.93 70.76 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 121.094 -0.574 . . . . 11.56 112.376 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -96.72 -53.96 3.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.847 0.356 . . . . 12.46 111.187 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 46.8 m -61.55 166.27 4.27 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.781 -0.645 . . . . 9.82 112.707 -178.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -69.98 -23.67 63.19 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.734 -0.666 . . . . 10.24 111.351 -179.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -78.05 81.08 4.46 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.809 -0.632 . . . . 7.68 111.078 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -135.85 139.34 43.34 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.995 -0.548 . . . . 11.56 109.817 179.129 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 80.05 -1.4 80.03 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.633 -0.794 . . . . 8.65 112.319 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 23.7 mm-40 -133.26 134.57 44.12 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.505 -0.554 . . . . 7.58 109.505 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 70.7 m80 -89.88 172.25 9.02 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.81 -0.441 . . . . 7.9 109.81 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 23.8 tp -57.98 -39.65 78.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.974 0.416 . . . . 4.14 110.915 179.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.29 -37.12 82.89 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.112 -0.494 . . . . 5.79 111.344 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -63.84 -46.79 83.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.614 -0.721 . . . . 6.75 111.06 -179.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 77.2 mt -70.48 -36.82 67.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.649 -0.705 . . . . 4.76 111.845 -179.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 3.5 mp -67.05 -39.12 86.86 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.477 0.547 . . . . 5.48 112.477 -179.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -79.72 -5.73 55.81 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.601 0.593 . . . . 7.63 112.601 -179.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.9 p -101.97 -49.1 4.04 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.982 0.42 . . . . 6.84 110.427 178.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -87.02 61.0 6.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.358 0.599 . . . . 6.55 110.544 179.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 5.4 m -89.0 142.42 27.65 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.697 -0.683 . . . . 8.4 111.154 -179.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 37.4 mmm-85 -103.93 148.93 25.59 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.08 -0.509 . . . . 10.35 109.711 179.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 89' ' ' VAL . . . . . 0.403 ' HA ' ' HD3' ' B' ' 90' ' ' PRO . 21.4 t -98.79 108.23 47.58 Favored Pre-proline 0 C--N 1.323 -0.564 0 N-CA-C 109.701 -0.481 . . . . 11.96 109.701 179.081 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 90' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' B' ' 89' ' ' VAL . 12.6 Cg_exo . . . . . 0 N--CA 1.464 -0.264 0 C-N-CA 122.974 2.449 . . . . 13.1 111.769 -179.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 40.5 t . . . . . 0 C--O 1.232 0.136 0 CA-C-O 121.289 0.566 . . . . 9.95 109.648 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 21' ' ' HIS . . . . . . . . . . . . . 27.7 t60 -80.16 115.63 19.83 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.523 -0.762 . . . . 9.34 110.456 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 22' ' ' LEU . . . . . . . . . . . . . 95.1 mt -125.08 145.22 50.03 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.871 0.367 . . . . 6.88 111.827 -179.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 23' ' ' THR . . . . . 0.706 ' HB ' HG23 ' C' ' 89' ' ' THR . 0.8 OUTLIER -101.45 141.65 34.0 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.957 -0.757 . . . . 8.91 108.957 178.836 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 24' ' ' LEU . . . . . 0.466 HD23 ' HB ' ' C' ' 90' ' ' ILE . 49.7 mt -124.82 117.48 24.24 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 110.316 -0.253 . . . . 8.66 110.316 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 25' ' ' LYS . . . . . 0.596 ' HA ' ' O ' ' C' ' 32' ' ' PHE . 13.6 ptmt -130.72 138.93 50.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.985 0.421 . . . . 13.38 112.083 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 26' ' ' LYS . . . . . 0.498 ' HD3' ' O ' ' C' ' 30' ' ' PRO . 49.6 tttt -94.08 148.24 22.36 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.973 -0.558 . . . . 14.09 109.555 179.112 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 27' ' ' ILE . . . . . 0.545 HD11 ' HG3' ' C' ' 93' ' ' MET . 12.2 pt -92.16 -45.5 14.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 112.392 0.515 . . . . 14.88 112.392 -179.589 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -79.51 144.68 33.74 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.632 -0.258 . . . . 15.23 111.211 -179.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.11 139.98 82.65 Favored Pre-proline 0 C--N 1.326 -0.449 0 N-CA-C 110.014 -0.365 . . . . 18.5 110.014 179.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 30' ' ' PRO . . . . . 0.498 ' O ' ' HD3' ' C' ' 26' ' ' LYS . 74.0 Cg_endo -76.56 144.81 80.15 Favored 'Cis proline' 0 C--N 1.344 0.332 0 C-N-CA 123.476 -1.468 . . . . 17.48 111.45 -0.477 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 31' ' ' LYS . . . . . 0.477 ' HE2' ' O ' ' C' ' 27' ' ' ILE . 83.7 mttt -97.68 150.59 21.02 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.07 -0.514 . . . . 17.53 110.916 -179.597 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 32' ' ' PHE . . . . . 0.596 ' O ' ' HA ' ' C' ' 25' ' ' LYS . 47.8 p90 -138.77 151.99 47.55 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.598 -0.728 . . . . 13.5 109.088 178.338 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 33' ' ' SER . . . . . 0.442 ' HA ' ' O ' ' C' ' 24' ' ' LEU . 49.7 m -141.7 96.47 2.98 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.075 0.464 . . . . 12.36 110.084 179.576 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 39.3 pt -114.1 164.38 10.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.892 -0.595 . . . . 10.72 111.051 -179.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 35' ' ' GLU . . . . . 0.643 ' HG2' HG23 ' C' ' 23' ' ' THR . 6.5 mt-10 -133.26 142.5 48.55 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.257 -0.429 . . . . 10.54 110.437 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 36' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -152.6 156.8 39.99 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.793 0.33 . . . . 9.85 110.707 179.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -104.15 120.63 41.53 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.966 -0.561 . . . . 9.77 110.179 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 38' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -113.14 -179.47 3.65 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.578 -0.527 . . . . 9.82 109.578 179.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 39' ' ' SER . . . . . 0.43 ' O ' ' HB2' ' C' ' 42' ' ' ASP . 0.1 OUTLIER -108.72 158.17 34.78 Favored Pre-proline 0 C--N 1.321 -0.646 0 N-CA-C 109.814 -0.439 . . . . 11.97 109.814 179.636 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -66.12 -15.7 49.42 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.408 2.072 . . . . 12.89 111.571 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -90.28 -4.13 57.35 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.56 -0.746 . . . . 14.42 110.813 179.446 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 42' ' ' ASP . . . . . 0.485 ' O ' ' HG ' ' C' ' 78' ' ' LEU . 2.0 m-20 -78.99 150.06 32.07 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 109.543 -0.54 . . . . 11.77 109.543 179.404 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 58.0 p -111.09 171.07 7.69 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 110.044 -0.354 . . . . 11.4 110.044 179.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 44' ' ' ILE . . . . . 0.561 HG23 HD12 ' C' ' 65' ' ' LEU . 41.5 mm -60.18 -30.63 46.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.313 0.578 . . . . 7.86 110.085 178.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.31 -36.65 84.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.614 -0.721 . . . . 12.88 110.554 179.644 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 46' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -64.53 -37.98 89.43 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.294 -0.412 . . . . 12.18 110.917 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 63.8 mt -63.49 -41.74 93.74 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 N-CA-C 109.188 -0.671 . . . . 8.04 109.188 178.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -63.04 -45.6 91.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.374 -0.83 . . . . 10.51 110.211 179.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -59.86 -39.86 86.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.876 -0.602 . . . . 13.94 110.134 179.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 50' ' ' HIS . . . . . 0.49 ' O ' ' HG2' ' C' ' 54' ' ' GLU . 83.1 t60 -65.97 -38.15 87.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.775 -0.648 . . . . 11.16 110.861 179.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 43.1 mt -62.59 -33.87 75.84 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.446 -0.343 . . . . 12.37 111.164 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 52' ' ' ILE . . . . . . . . . . . . . 78.8 mt -64.87 -44.52 96.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.32 -0.4 . . . . 15.35 109.938 179.111 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.88 -24.13 67.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 15.02 111.589 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 54' ' ' GLU . . . . . 0.49 ' HG2' ' O ' ' C' ' 50' ' ' HIS . 4.8 mm-40 -87.43 7.49 28.91 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 110.099 -0.334 . . . . 14.38 110.099 179.712 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 62.87 28.17 16.28 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.718 -0.674 . . . . 18.85 111.427 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -102.94 -6.47 22.39 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.115 0.413 . . . . 14.47 112.115 -179.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -147.9 162.11 39.95 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.812 0.339 . . . . 15.28 111.698 -179.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 58' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -113.26 -42.37 3.52 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.859 -0.61 . . . . 17.75 109.63 179.418 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 59' ' ' HIS . . . . . 0.516 ' HB2' ' HG3' ' C' ' 62' ' ' GLU . 94.7 m-70 -127.35 171.55 11.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.147 -0.479 . . . . 19.22 110.985 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 37.5 mm -79.72 -38.72 19.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.06 -0.518 . . . . 13.8 111.593 -179.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 1.9 p -66.14 -32.35 73.75 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.237 0.458 . . . . 14.67 112.237 -179.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 62' ' ' GLU . . . . . 0.516 ' HG3' ' HB2' ' C' ' 59' ' ' HIS . 69.0 mt-10 -60.22 -30.13 69.19 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.333 -0.394 . . . . 16.71 111.364 -179.543 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 63' ' ' ILE . . . . . 0.404 HG22 ' HG ' ' C' ' 65' ' ' LEU . 24.1 mt -84.24 97.8 5.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 112.362 0.504 . . . . 10.79 112.362 -178.154 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 64' ' ' LYS . . . . . 0.513 ' HB3' ' HB3' ' C' ' 93' ' ' MET . 17.6 ttmt -98.23 89.08 4.36 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.502 -0.925 . . . . 9.73 108.502 178.257 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 65' ' ' LEU . . . . . 0.561 HD12 HG23 ' C' ' 44' ' ' ILE . 81.6 mt -75.71 134.91 40.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 5.89 111.511 -179.045 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 66' ' ' LEU . . . . . 0.51 HD22 HG11 ' A' ' 49' ' ' VAL . 2.6 mt -131.57 150.62 52.08 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.215 -0.448 . . . . 7.57 111.364 -179.25 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 65.5 tp -137.16 101.38 4.53 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.794 -0.639 . . . . 7.44 109.472 178.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 20.7 mmmt 60.55 24.78 14.45 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 115.97 -0.559 . . . . 12.88 111.989 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 69' ' ' GLY . . . . . 0.439 ' HA3' ' HA ' ' B' ' 53' ' ' CYS . . . 111.8 -29.65 8.37 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.986 -0.626 . . . . 8.93 112.934 179.451 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 70' ' ' LYS . . . . . 0.762 ' HE3' ' HA ' ' C' ' 70' ' ' LYS . 0.1 OUTLIER -77.31 132.52 38.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 122.943 -0.151 . . . . 9.44 110.962 -179.49 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 71' ' ' VAL . . . . . . . . . . . . . 42.0 t -81.1 125.51 39.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.209 0.528 . . . . 7.05 109.946 179.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 48.4 mt -84.0 104.47 14.1 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.138 0.494 . . . . 5.9 111.046 -179.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 73' ' ' HIS . . . . . . . . . . . . . 24.0 m-70 -72.38 150.97 42.96 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.73 -0.668 . . . . 8.93 110.56 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -54.5 -35.44 63.14 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 113.019 0.748 . . . . 9.91 113.019 -178.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 75' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -84.19 23.11 1.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 113.041 0.756 . . . . 13.36 113.041 -178.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 76' ' ' LEU . . . . . . . . . . . . . 23.9 tp -105.1 132.54 51.2 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 110.132 -0.321 . . . . 9.58 110.132 179.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -88.71 151.49 22.39 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.233 -0.439 . . . . 14.32 109.966 179.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 78' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' C' ' 42' ' ' ASP . 13.0 mt -64.83 -17.77 64.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.516 -0.311 . . . . 9.53 111.77 -179.449 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 79' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.73 -17.96 61.05 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.022 0.439 . . . . 12.75 111.018 179.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 80' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -96.02 -3.94 44.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.164 0.507 . . . . 12.44 110.218 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 81' ' ' LEU . . . . . 0.467 ' HG ' ' HA ' ' C' ' 78' ' ' LEU . 19.2 mt -71.19 129.37 38.74 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.026 -0.533 . . . . 10.15 110.911 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 82' ' ' LYS . . . . . . . . . . . . . 39.1 mmtm -84.95 59.02 5.35 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.591 -0.522 . . . . 12.59 109.591 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 12.0 m -94.37 141.56 14.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.797 -0.638 . . . . 11.5 111.576 -179.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 84' ' ' THR . . . . . 0.5 ' HB ' ' HD2' ' C' ' 85' ' ' PRO . 69.5 p -135.76 174.36 4.63 Favored Pre-proline 0 C--N 1.322 -0.628 0 N-CA-C 108.364 -0.976 . . . . 13.96 108.364 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 85' ' ' PRO . . . . . 0.5 ' HD2' ' HB ' ' C' ' 84' ' ' THR . 43.0 Cg_exo -60.03 -23.91 74.78 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.107 1.871 . . . . 14.91 110.594 178.059 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -83.26 -55.69 4.2 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.506 -0.77 . . . . 15.11 109.905 178.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 87' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -106.75 93.86 4.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.461 0.648 . . . . 12.35 111.834 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 88' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.66 8.07 8.24 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.678 -0.692 . . . . 10.32 109.702 179.298 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 89' ' ' THR . . . . . 0.706 HG23 ' HB ' ' C' ' 23' ' ' THR . 5.4 m -100.36 128.02 46.53 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.486 -0.779 . . . . 9.82 111.411 -178.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 90' ' ' ILE . . . . . 0.466 ' HB ' HD23 ' C' ' 24' ' ' LEU . 39.2 mm -99.08 138.25 24.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.85 -0.613 . . . . 6.59 109.435 179.536 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 91' ' ' THR . . . . . 0.587 HG21 HG21 ' B' ' 49' ' ' VAL . 1.9 m -86.82 122.42 30.67 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.836 0.351 . . . . 8.75 110.096 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 92' ' ' VAL . . . . . . . . . . . . . 18.6 t -106.3 101.83 13.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.434 -0.348 . . . . 9.58 111.038 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 93' ' ' MET . . . . . 0.545 ' HG3' HD11 ' C' ' 27' ' ' ILE . 13.3 ttt -96.0 125.87 40.84 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.42 -0.956 . . . . 10.9 108.42 178.146 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 94' ' ' ILE . . . . . 0.41 HD12 ' HD2' ' C' ' 26' ' ' LYS . 66.9 mt -113.08 123.23 68.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 120.873 0.368 . . . . 13.44 111.124 -179.285 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 95' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.321 -0.667 0 CA-C-N 115.801 -0.636 . . . . 14.6 109.347 179.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.0 m . . . . . 0 C--O 1.231 0.123 0 N-CA-C 112.008 0.373 . . . . 10.77 112.008 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 60.8 74.3 0.45 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 121.462 0.649 . . . . 8.07 109.983 -178.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.5 m -72.38 159.1 34.56 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.299 -0.864 . . . . 10.11 111.7 -178.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.5 mtmm -54.33 -44.89 72.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.848 -0.615 . . . . 10.66 111.538 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -65.46 -34.53 78.5 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.351 -0.386 . . . . 11.43 111.468 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -68.54 -45.87 71.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.059 0.457 . . . . 8.91 110.062 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 75.9 mt -67.96 -43.75 85.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.62 -0.718 . . . . 6.35 110.603 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.85 -36.99 78.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 7.12 110.733 179.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.39 -40.17 89.94 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.994 -0.548 . . . . 7.6 110.499 179.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.602 HD12 HD21 ' B' ' 83' ' ' LEU . 11.2 mt -71.38 -36.57 71.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.938 0.399 . . . . 5.59 110.459 179.216 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 97.3 mt -61.71 -52.6 58.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.792 -0.64 . . . . 4.33 110.443 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 31.4 m -67.82 -29.64 45.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.443 -0.344 . . . . 6.96 110.791 179.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 45.6 t-20 -63.29 -46.82 85.01 Favored 'General case' 0 CA--C 1.519 -0.25 0 N-CA-C 108.717 -0.845 . . . . 7.34 108.717 178.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.508 ' O ' HG13 ' A' ' 33' ' ' ILE . 19.1 t80 -60.28 -45.81 92.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.884 -0.598 . . . . 5.51 110.381 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.0 m-30 -58.93 -46.35 88.2 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.151 -0.477 . . . . 6.35 110.562 179.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.9 m -63.2 -42.62 99.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.922 -0.581 . . . . 8.01 110.356 179.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.546 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 49.0 m -60.64 -37.17 80.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.313 -0.403 . . . . 8.27 111.192 179.473 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.508 HG13 ' O ' ' A' ' 29' ' ' TYR . 95.3 mt -64.71 -43.28 96.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.492 -0.322 . . . . 8.37 111.1 179.717 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 20.9 m -76.64 -23.71 15.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.723 0.296 . . . . 9.63 111.717 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -66.13 -40.83 90.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.217 0.532 . . . . 10.98 110.496 179.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.546 ' HG2' ' O ' ' A' ' 32' ' ' SER . 35.6 pttt -93.42 -4.89 50.54 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.768 -0.651 . . . . 11.09 110.125 179.46 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.6 tttm 58.14 48.85 12.27 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.117 -0.947 . . . . 11.72 111.258 -179.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.497 ' HB2' ' HG3' ' A' ' 36' ' ' LYS . 1.0 OUTLIER -98.12 27.78 4.4 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.898 -0.592 . . . . 9.58 110.816 -179.799 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 17.8 tt -139.79 151.97 22.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.75 -0.659 . . . . 9.5 110.184 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.1 m -69.47 154.57 41.81 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.317 -0.402 . . . . 9.96 110.853 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.38 -41.34 69.09 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.045 -0.525 . . . . 11.9 111.658 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -65.22 -43.44 91.48 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.13 -0.486 . . . . 10.3 111.091 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.76 -31.41 70.31 Favored Glycine 0 C--N 1.331 0.287 0 CA-C-N 116.009 -0.541 . . . . 8.47 112.318 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.6 -39.36 93.52 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.82 -0.437 . . . . 8.42 109.82 179.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -65.15 -35.62 81.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.819 -0.628 . . . . 9.73 110.031 179.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.517 ' HB2' ' HB2' ' B' ' 57' ' ' ALA . 1.2 m -65.57 -51.01 62.98 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 115.933 -0.576 . . . . 7.86 110.45 179.346 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 32.8 mt -63.27 -33.67 76.01 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.412 -0.358 . . . . 6.77 110.258 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -61.54 -43.39 98.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.634 -0.712 . . . . 9.39 111.11 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.2 p -81.87 -37.13 14.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 C-N-CA 121.01 -0.276 . . . . 9.6 111.616 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.32 -40.86 95.78 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.688 0.28 . . . . 7.62 110.933 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 44.4 ttm -58.82 -36.55 74.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 8.19 110.88 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -60.08 -54.8 41.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.854 -0.612 . . . . 11.12 110.745 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.475 ' HB2' ' HB2' ' B' ' 50' ' ' ALA . 4.9 m -63.4 -36.98 85.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.007 -0.542 . . . . 9.77 111.983 -179.618 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.434 HD11 HD11 ' B' ' 54' ' ' ILE . 86.9 mt -64.88 -43.64 96.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.819 0.342 . . . . 9.06 111.145 -179.725 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.421 ' HB3' ' O ' ' A' ' 60' ' ' PHE . 37.6 m -54.09 -58.72 6.28 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.0 -0.545 . . . . 10.96 112.442 -179.074 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.412 ' HG2' ' H ' ' A' ' 56' ' ' GLU . 3.7 pt-20 -66.01 -29.57 69.97 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.788 0.662 . . . . 12.89 112.788 -178.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.4 -42.56 96.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.887 0.375 . . . . 11.68 111.372 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.418 ' HB2' ' CD1' ' A' ' 60' ' ' PHE . 89.2 m-85 -91.26 -3.21 57.11 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.306 -0.407 . . . . 11.93 111.509 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 74.73 45.95 20.07 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.834 -0.698 . . . . 13.13 113.094 179.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.421 ' O ' ' HB3' ' A' ' 55' ' ' SER . 19.5 p90 -144.71 146.62 32.3 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.996 -0.372 . . . . 12.01 109.996 179.114 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -92.29 146.43 23.71 Favored 'General case' 0 C--N 1.317 -0.829 0 C-N-CA 120.865 -0.334 . . . . 14.85 110.378 179.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 45.1 ttp180 -55.6 -40.58 72.26 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.168 0.509 . . . . 11.66 110.36 179.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 54.6 mp0 -68.44 -12.99 61.98 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.636 -0.711 . . . . 13.0 112.335 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -97.01 -2.05 44.24 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.286 0.476 . . . . 12.82 112.286 -178.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.5 p -56.43 -39.96 64.46 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 N-CA-C 112.485 0.55 . . . . 10.88 112.485 -179.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.89 -44.04 97.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.332 -0.394 . . . . 12.04 111.123 -179.675 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.58 -43.69 75.49 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.913 -0.66 . . . . 12.77 111.53 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 97.3 mt -59.8 -50.32 80.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 120.422 0.153 . . . . 11.54 110.95 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 48.7 mt -57.66 -46.93 83.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.736 0.303 . . . . 10.42 111.195 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -61.52 -31.54 78.0 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 121.156 -0.545 . . . . 12.46 113.746 -179.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.51 6.11 48.6 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.514 0.561 . . . . 14.12 112.514 -179.402 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 50.4 m -110.11 -174.25 2.44 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.99 0.424 . . . . 10.83 111.825 -179.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -72.21 -40.35 67.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.666 -0.697 . . . . 10.68 111.061 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -89.01 92.77 9.36 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.898 -0.592 . . . . 8.37 111.216 -179.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -133.82 127.03 31.81 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.13 -0.486 . . . . 12.83 111.22 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 89.74 1.78 76.61 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.793 -0.718 . . . . 9.82 112.937 179.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -130.37 162.9 28.06 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.648 -0.501 . . . . 8.93 109.648 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -112.56 168.6 9.52 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.943 -0.392 . . . . 8.72 109.943 179.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.553 HD11 HD11 ' B' ' 79' ' ' LEU . 26.1 tp -62.95 -31.54 72.66 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.282 -0.417 . . . . 4.7 111.323 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.443 ' HB2' ' CE1' ' A' ' 29' ' ' TYR . . . -66.57 -59.93 3.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 5.96 112.099 -179.31 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -56.99 -43.24 81.52 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.614 0.598 . . . . 7.82 112.614 -179.228 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 83.5 mt -64.38 -50.93 74.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.718 0.294 . . . . 5.79 111.109 179.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.776 HD21 HD12 ' B' ' 25' ' ' LEU . 4.5 tp -60.96 -39.34 89.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 5.97 111.865 -179.307 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -71.26 -27.74 63.66 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.12 0.415 . . . . 9.2 112.12 -179.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 54.5 m -68.39 -26.39 65.54 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.1 0.476 . . . . 7.98 110.732 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -76.4 135.78 39.46 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.948 -0.569 . . . . 7.06 110.939 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.475 ' HA ' ' HB2' ' B' ' 14' ' ' MET . 37.2 m -109.45 120.45 42.55 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.773 -0.649 . . . . 9.21 109.608 179.233 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.48 ' HA ' ' HE ' ' A' ' 88' ' ' ARG . 2.8 mmp_? -122.42 93.81 4.09 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.027 0.442 . . . . 9.55 110.825 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.49 ' HA ' ' HD3' ' A' ' 90' ' ' PRO . 3.5 t -85.72 129.71 53.67 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 115.806 -0.634 . . . . 12.15 109.956 -179.7 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.595 ' HG3' ' HD3' ' B' ' 75' ' ' LYS . 6.1 Cg_exo -78.68 105.79 2.01 Favored 'Trans proline' 0 N--CA 1.461 -0.428 0 C-N-CA 122.987 2.458 . . . . 12.82 111.922 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -89.52 43.72 1.16 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.503 0.668 . . . . 14.19 109.975 179.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 C--O 1.247 0.965 0 CA-C-N 115.284 -0.871 . . . . 15.67 110.038 -179.776 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' MET . . . . . 0.475 ' HB2' ' HA ' ' A' ' 87' ' ' SER . 60.5 ttp . . . . . 0 N--CA 1.48 1.065 0 CA-C-O 120.816 0.341 . . . . 11.23 110.63 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 36.1 ttm -95.52 41.34 1.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.028 0.442 . . . . 13.11 110.992 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 6.9 m 63.52 86.68 0.12 Allowed 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 115.465 -0.789 . . . . 11.45 111.495 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.72 115.5 4.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.586 -0.734 . . . . 8.27 111.623 -179.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 3.2 m -82.27 170.33 15.51 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.899 -0.591 . . . . 9.28 110.537 179.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 49.7 mttp -54.34 -48.99 70.79 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.415 0.524 . . . . 8.44 112.415 -179.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 6.0 pm0 -64.28 -36.76 85.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.716 0.293 . . . . 9.58 111.724 -179.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -66.47 -41.76 88.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.002 0.43 . . . . 8.61 110.24 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 96.4 mt -70.12 -42.52 79.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.914 -0.584 . . . . 4.87 109.733 179.078 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.54 ' HA ' HD12 ' B' ' 26' ' ' ILE . . . -61.43 -32.19 72.14 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.883 -0.599 . . . . 4.42 110.717 179.54 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.09 -41.5 92.63 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.138 -0.483 . . . . 5.79 110.376 179.178 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.776 HD12 HD21 ' A' ' 83' ' ' LEU . 17.5 mt -72.15 -31.93 66.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.164 -0.471 . . . . 4.52 110.434 179.058 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.54 HD12 ' HA ' ' B' ' 23' ' ' ALA . 92.6 mt -65.98 -51.06 65.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.865 -0.607 . . . . 4.37 110.424 179.283 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 34.5 m -67.21 -32.79 59.18 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-N 116.409 -0.36 . . . . 6.25 110.554 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -65.36 -43.89 89.36 Favored 'General case' 0 CA--C 1.52 -0.181 0 N-CA-C 109.209 -0.663 . . . . 6.91 109.209 178.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' TYR . . . . . 0.401 ' O ' HG13 ' B' ' 33' ' ' ILE . 59.2 t80 -60.23 -47.63 85.14 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.471 -0.786 . . . . 7.07 110.586 179.523 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 18.6 m-30 -59.81 -42.99 94.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 8.36 110.603 179.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . 0.468 ' HA ' HG22 ' B' ' 34' ' ' VAL . 28.9 m -64.07 -37.41 87.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.001 -0.545 . . . . 9.5 110.83 179.267 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 19.8 m -65.29 -20.03 66.23 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 121.198 0.523 . . . . 9.77 111.19 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.653 HG23 ' HB3' ' B' ' 38' ' ' GLU . 71.3 mt -86.51 -41.07 14.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.965 0.412 . . . . 11.09 110.402 179.457 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . 0.468 HG22 ' HA ' ' B' ' 31' ' ' SER . 31.9 m -77.03 -35.37 23.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 113.214 0.82 . . . . 12.38 113.214 -178.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -57.46 -40.49 78.63 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 112.609 0.596 . . . . 13.19 112.609 -179.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -101.24 6.08 42.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.602 0.239 . . . . 13.7 111.46 -179.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 21.3 ttmm 54.82 66.26 1.28 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.538 0.685 . . . . 15.86 111.734 -179.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . 0.653 ' HB3' HG23 ' B' ' 33' ' ' ILE . 31.3 tt0 -97.82 -0.75 44.6 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.577 -0.738 . . . . 12.56 109.732 179.619 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 20.7 tt -133.15 159.92 42.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.386 -0.824 . . . . 13.67 109.852 -179.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 29.8 p -67.76 160.62 27.81 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.781 0.324 . . . . 15.14 110.653 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . 0.453 ' HB3' ' NZ ' ' C' ' 31' ' ' LYS . 9.4 mp0 -58.49 -39.66 80.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.393 -0.367 . . . . 16.66 110.947 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.73 -42.78 99.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 15.52 110.192 179.455 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.77 -40.54 64.78 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.688 -0.768 . . . . 13.17 111.487 179.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.75 -43.82 98.1 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.784 0.326 . . . . 12.42 110.776 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . 0.859 ' HB3' ' HB ' ' C' ' 27' ' ' ILE . 0.7 OUTLIER -61.23 -42.3 98.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.086 -0.506 . . . . 13.38 110.274 179.321 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 9.1 m -66.25 -42.6 88.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.829 -0.623 . . . . 11.72 110.834 179.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 24.0 mt -65.27 -33.94 77.17 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.214 -0.448 . . . . 9.64 110.875 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -58.1 -50.91 71.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.931 -0.577 . . . . 11.12 110.353 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 40.8 t -67.07 -44.25 88.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.016 -0.538 . . . . 10.04 110.818 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . 0.475 ' HB2' ' HB2' ' A' ' 53' ' ' CYS . . . -59.74 -44.15 93.93 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.101 -0.499 . . . . 8.26 111.346 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 30.4 ttm -60.64 -44.54 96.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 7.93 110.787 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.57 -42.86 98.31 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.65 -0.705 . . . . 9.48 110.279 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 3.8 t -62.05 -40.63 96.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.454 -0.794 . . . . 8.11 110.909 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . 0.434 HD11 HD11 ' A' ' 54' ' ' ILE . 97.1 mt -62.21 -35.71 70.55 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-O 121.13 0.491 . . . . 6.13 110.525 179.546 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . 0.45 ' HA ' ' CE1' ' B' ' 60' ' ' PHE . 14.3 m -61.54 -50.13 73.89 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.64 -0.709 . . . . 7.39 111.38 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -74.55 -16.2 60.83 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.241 0.46 . . . . 8.81 112.241 -179.434 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . 0.517 ' HB2' ' HB2' ' A' ' 46' ' ' SER . . . -72.84 -45.23 59.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.332 -0.394 . . . . 7.38 111.215 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -88.28 -19.12 27.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 8.09 111.887 -179.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 93.46 43.83 3.88 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.884 -0.674 . . . . 9.43 113.631 178.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . 0.45 ' CE1' ' HA ' ' B' ' 55' ' ' SER . 40.0 p90 -136.37 150.13 48.67 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.661 0.267 . . . . 8.7 110.364 179.135 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.93 140.84 36.53 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.96 0.409 . . . . 11.16 110.771 -179.599 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 61.0 ttt180 -63.1 -45.59 91.35 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.39 -0.823 . . . . 10.74 111.204 -179.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -85.74 15.53 4.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.863 0.364 . . . . 11.8 111.86 -179.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -115.42 6.41 14.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.026 0.441 . . . . 10.53 110.48 179.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 11.3 p -59.51 -27.1 36.42 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 CA-C-N 115.711 -0.677 . . . . 9.11 111.545 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.05 -43.55 95.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 10.71 110.876 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -66.94 -25.08 73.21 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 121.049 -0.596 . . . . 11.05 112.013 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 57.2 mt -79.02 -53.84 12.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 110.007 -0.368 . . . . 9.74 110.007 179.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 74.7 mt -61.95 -36.76 82.38 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.255 -0.429 . . . . 9.17 111.663 -179.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -70.98 -27.12 72.71 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.808 -0.711 . . . . 11.56 112.244 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 3.0 ttmp? -85.16 -48.19 9.39 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.762 0.315 . . . . 12.46 110.463 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 49.0 m -68.58 169.21 11.44 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.028 -0.533 . . . . 9.82 111.253 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -68.27 -17.58 64.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.369 -0.378 . . . . 10.24 111.784 -179.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -79.3 48.45 0.89 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.015 0.436 . . . . 7.68 111.782 -179.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 75' ' ' LYS . . . . . 0.595 ' HD3' ' HG3' ' A' ' 90' ' ' PRO . 0.0 OUTLIER -94.65 124.03 38.44 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.919 0.39 . . . . 11.56 110.615 179.7 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 74.99 29.15 61.2 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.976 -0.63 . . . . 8.65 111.985 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 20.7 mm-40 -140.38 161.4 37.79 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.653 -0.499 . . . . 7.58 109.653 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 5.7 m80 -127.51 165.79 19.19 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.972 -0.381 . . . . 7.9 109.972 179.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.553 HD11 HD11 ' A' ' 79' ' ' LEU . 18.8 tp -62.5 -32.74 73.7 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.095 -0.502 . . . . 4.14 111.655 -179.652 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.17 -59.08 3.74 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.381 0.512 . . . . 5.79 112.381 -178.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -57.76 -47.1 83.44 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 112.678 0.621 . . . . 6.75 112.678 -179.317 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 82.0 mt -60.39 -46.85 94.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.649 -0.25 . . . . 4.76 111.333 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . 0.602 HD21 HD12 ' A' ' 25' ' ' LEU . 1.4 tp -62.24 -40.33 95.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.707 0.289 . . . . 5.48 111.589 -179.497 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -67.74 -39.77 84.21 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.699 0.285 . . . . 7.63 111.441 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 91.8 p -68.24 -40.42 81.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.734 0.302 . . . . 6.84 111.764 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -86.23 77.44 9.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.199 0.523 . . . . 6.55 110.532 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 1.3 m -92.79 154.52 18.23 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.917 -0.583 . . . . 8.4 111.099 -179.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 15.5 mmm-85 -134.28 126.72 30.36 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.196 -0.456 . . . . 10.35 110.004 179.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 38.6 t -84.17 112.17 39.15 Favored Pre-proline 0 C--N 1.326 -0.416 0 N-CA-C 110.045 -0.354 . . . . 11.96 110.045 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo . . . . . 0 N--CA 1.46 -0.493 0 C-N-CA 122.553 2.169 . . . . 13.1 111.92 -179.84 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 20' ' ' VAL . . . . . 0.445 HG12 ' HG ' ' C' ' 22' ' ' LEU . 17.6 t . . . . . 0 C--O 1.232 0.165 0 CA-C-O 121.173 0.511 . . . . 9.95 110.221 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 21' ' ' HIS . . . . . . . . . . . . . 17.6 t60 -87.9 102.81 15.07 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.015 -0.539 . . . . 9.34 110.395 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 22' ' ' LEU . . . . . 0.445 ' HG ' HG12 ' C' ' 20' ' ' VAL . 95.3 mt -111.44 144.99 39.76 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.425 -0.352 . . . . 6.88 111.049 -179.642 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 23' ' ' THR . . . . . 0.434 ' HB ' ' HA ' ' C' ' 89' ' ' THR . 4.0 m -101.57 116.18 32.19 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.847 -0.615 . . . . 8.91 109.973 179.325 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 24' ' ' LEU . . . . . 0.554 ' HB2' HG13 ' C' ' 34' ' ' ILE . 50.4 mt -97.69 117.12 31.26 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 110.12 -0.326 . . . . 8.66 110.12 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 25' ' ' LYS . . . . . 0.442 ' HA ' ' O ' ' C' ' 32' ' ' PHE . 18.2 tptm -136.31 125.32 24.33 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.281 -0.418 . . . . 13.38 111.411 -179.368 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 26' ' ' LYS . . . . . 0.564 ' HG2' ' O ' ' C' ' 28' ' ' GLN . 8.5 ttpp -85.59 120.45 27.05 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.195 -0.668 . . . . 14.09 109.195 178.114 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 27' ' ' ILE . . . . . 0.859 ' HB ' ' HB3' ' B' ' 45' ' ' ASP . 42.2 pt -73.96 -10.63 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 113.11 0.781 . . . . 14.88 113.11 -178.262 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . 0.564 ' O ' ' HG2' ' C' ' 26' ' ' LYS . 97.7 mt-30 -125.72 149.94 48.1 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 121.287 -0.165 . . . . 15.23 110.741 -179.636 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.9 133.61 48.29 Favored Pre-proline 0 N--CA 1.466 0.369 0 N-CA-C 113.029 0.751 . . . . 18.5 113.029 -178.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 30' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -79.02 134.79 33.76 Favored 'Cis proline' 0 C--N 1.346 0.397 0 C-N-CA 123.451 -1.479 . . . . 17.48 111.35 -0.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 31' ' ' LYS . . . . . 0.463 ' HE2' ' O ' ' C' ' 27' ' ' ILE . 83.7 mttt -88.44 113.79 24.39 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.141 0.496 . . . . 17.53 111.3 -179.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 32' ' ' PHE . . . . . 0.442 ' O ' ' HA ' ' C' ' 25' ' ' LYS . 50.9 p90 -127.77 149.91 50.04 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.913 -0.585 . . . . 13.5 110.632 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 33' ' ' SER . . . . . . . . . . . . . 73.6 m -124.69 113.24 17.73 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.636 -0.505 . . . . 12.36 109.636 179.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . 0.554 HG13 ' HB2' ' C' ' 24' ' ' LEU . 45.9 pt -129.41 142.32 44.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.78 0.324 . . . . 10.72 110.822 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 35' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -121.12 139.02 53.9 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.319 -0.4 . . . . 10.54 110.62 179.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 36' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -152.85 141.62 21.04 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.254 -0.43 . . . . 9.85 110.247 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -88.85 111.39 22.0 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.004 -0.543 . . . . 9.77 110.404 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 38' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -100.99 172.95 6.71 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.589 -0.523 . . . . 9.82 109.589 179.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 39' ' ' SER . . . . . 0.517 ' O ' ' HB2' ' C' ' 42' ' ' ASP . 59.7 p -97.64 153.9 38.12 Favored Pre-proline 0 C--N 1.321 -0.661 0 N-CA-C 109.389 -0.597 . . . . 11.97 109.389 179.401 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_endo -63.69 -22.07 69.9 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.026 1.817 . . . . 12.89 110.531 179.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.92 -6.55 59.2 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.095 -0.957 . . . . 14.42 111.133 179.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 42' ' ' ASP . . . . . 0.517 ' HB2' ' O ' ' C' ' 39' ' ' SER . 1.2 m-20 -75.3 156.48 35.55 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 116.301 -0.409 . . . . 11.77 110.415 179.589 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 40.3 p -114.76 169.63 8.93 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.247 -0.433 . . . . 11.4 109.908 179.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 44' ' ' ILE . . . . . 0.459 HD11 HD21 ' C' ' 81' ' ' LEU . 45.7 mm -63.08 -30.08 48.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.337 -0.616 . . . . 7.86 109.337 178.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 45' ' ' LEU . . . . . 0.545 ' O ' ' HG3' ' C' ' 49' ' ' GLN . 36.3 tp -60.3 -45.27 93.98 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.692 -0.685 . . . . 12.88 110.085 178.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 46' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -61.49 -38.11 86.1 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.196 -0.456 . . . . 12.18 110.757 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . 0.419 HD11 HD21 ' C' ' 78' ' ' LEU . 66.0 mt -62.03 -42.18 93.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 109.615 -0.513 . . . . 8.04 109.615 178.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -65.0 -44.45 89.2 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.648 -0.706 . . . . 10.51 109.882 179.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . 0.545 ' HG3' ' O ' ' C' ' 45' ' ' LEU . 52.1 mt-30 -59.4 -36.26 75.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.961 -0.563 . . . . 13.94 110.625 179.688 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 50' ' ' HIS . . . . . 0.404 ' O ' ' HG2' ' C' ' 54' ' ' GLU . 7.9 t60 -65.13 -31.54 72.78 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.853 -0.612 . . . . 11.16 111.274 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 94.5 mt -66.3 -28.52 68.75 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.192 0.52 . . . . 12.37 109.945 179.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 52' ' ' ILE . . . . . . . . . . . . . 72.5 mt -73.32 -41.52 57.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.499 -0.773 . . . . 15.35 109.59 178.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -63.74 -28.38 69.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.2 0.524 . . . . 15.02 110.689 179.499 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 54' ' ' GLU . . . . . 0.536 ' O ' ' HE2' ' C' ' 56' ' ' LYS . 58.1 mm-40 -85.7 -3.89 59.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.946 -0.57 . . . . 14.38 110.744 179.287 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 65.45 37.16 6.3 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.138 0.494 . . . . 18.85 111.294 -179.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 56' ' ' LYS . . . . . 0.536 ' HE2' ' O ' ' C' ' 54' ' ' GLU . 64.3 mmtt -106.67 -11.44 15.83 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.966 -0.561 . . . . 14.47 111.238 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 57' ' ' ALA . . . . . 0.536 ' HB2' HD13 ' C' ' 94' ' ' ILE . . . -150.51 156.63 41.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 15.28 110.562 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 58' ' ' SER . . . . . 0.639 ' HB2' ' OE1' ' C' ' 62' ' ' GLU . 3.2 m -81.3 -81.13 0.14 Allowed 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.202 -0.454 . . . . 17.75 111.314 179.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 59' ' ' HIS . . . . . 0.549 ' HB2' ' OE2' ' C' ' 62' ' ' GLU . 43.8 m-70 -117.71 172.9 7.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.893 0.378 . . . . 19.22 111.347 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 45.6 mm -64.87 -34.33 69.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.798 -0.637 . . . . 13.8 111.497 -179.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.7 -31.64 68.43 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.715 0.635 . . . . 14.67 112.715 -178.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 62' ' ' GLU . . . . . 0.639 ' OE1' ' HB2' ' C' ' 58' ' ' SER . 1.8 mp0 -89.84 -5.65 56.65 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.997 0.427 . . . . 16.71 112.148 -178.701 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 63' ' ' ILE . . . . . . . . . . . . . 51.6 mt -93.08 100.3 11.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 N-CA-C 112.734 0.642 . . . . 10.79 112.734 -178.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 64' ' ' LYS . . . . . 0.475 ' HB3' ' O ' ' C' ' 93' ' ' MET . 73.8 tttt -98.83 117.41 33.25 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.69 -0.855 . . . . 9.73 108.69 178.404 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 57.0 mt -112.02 144.14 41.86 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.769 0.319 . . . . 5.89 111.363 -179.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 66' ' ' LEU . . . . . 0.556 ' HB2' ' HB ' ' C' ' 91' ' ' THR . 5.2 mp -135.49 164.89 26.77 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.903 -0.589 . . . . 7.57 110.293 179.723 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 67' ' ' LEU . . . . . 0.431 ' HB2' HD21 ' C' ' 72' ' ' LEU . 48.6 tp -136.89 89.94 2.49 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.47 -0.567 . . . . 7.44 109.47 178.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 4.8 mmmt 73.86 -50.32 0.69 Allowed 'General case' 0 N--CA 1.467 0.411 0 O-C-N 123.741 0.65 . . . . 12.88 112.277 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . -152.93 -41.49 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.991 -0.623 . . . . 8.93 112.406 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 70' ' ' LYS . . . . . . . . . . . . . 10.7 tptt -82.47 156.42 24.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.702 0.287 . . . . 9.44 110.927 -179.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 71' ' ' VAL . . . . . . . . . . . . . 9.0 m -86.29 148.85 4.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.142 -0.481 . . . . 7.05 110.975 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 72' ' ' LEU . . . . . 0.431 HD21 ' HB2' ' C' ' 67' ' ' LEU . 83.3 mt -95.74 120.31 35.77 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.069 0.462 . . . . 5.9 110.685 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 73' ' ' HIS . . . . . . . . . . . . . 69.5 m-70 -88.42 138.02 31.8 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.927 -0.579 . . . . 8.93 110.075 -179.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 74' ' ' ASP . . . . . 0.483 ' HB3' ' HB2' ' C' ' 45' ' ' LEU . 1.6 m-20 -51.42 -41.05 60.51 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 113.183 0.809 . . . . 9.91 113.183 -178.185 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 75' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -76.26 5.54 6.83 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 113.443 0.905 . . . . 13.36 113.443 -178.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 76' ' ' LEU . . . . . . . . . . . . . 20.4 tp -86.52 134.65 33.65 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.925 0.393 . . . . 9.58 110.976 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -88.0 152.49 22.0 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.834 -0.621 . . . . 14.32 110.202 179.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 78' ' ' LEU . . . . . 0.45 ' HA ' ' HG ' ' C' ' 81' ' ' LEU . 11.3 mt -64.85 -21.46 66.8 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.449 0.537 . . . . 9.53 112.449 -179.214 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 79' ' ' SER . . . . . . . . . . . . . 1.7 m -66.97 -19.7 65.76 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 112.037 0.384 . . . . 12.75 112.037 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 80' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -93.71 -18.43 22.12 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.007 0.373 . . . . 12.44 112.007 -179.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 81' ' ' LEU . . . . . 0.459 HD21 HD11 ' C' ' 44' ' ' ILE . 26.3 mt -53.21 124.1 13.63 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.103 -0.498 . . . . 10.15 112.27 -178.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 82' ' ' LYS . . . . . . . . . . . . . 40.2 mmtm -82.02 62.13 5.64 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.799 -0.637 . . . . 12.59 110.049 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 8.8 m -104.6 126.68 59.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.464 0.65 . . . . 11.5 111.758 -179.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 84' ' ' THR . . . . . 0.471 ' HB ' ' HD2' ' C' ' 85' ' ' PRO . 30.5 p -116.21 175.31 1.99 Allowed Pre-proline 0 C--N 1.322 -0.628 0 N-CA-C 108.362 -0.977 . . . . 13.96 108.362 179.079 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 85' ' ' PRO . . . . . 0.471 ' HD2' ' HB ' ' C' ' 84' ' ' THR . 51.6 Cg_exo -59.03 -18.02 41.01 Favored 'Trans proline' 0 CA--C 1.533 0.441 0 C-N-CA 122.161 1.908 . . . . 14.91 111.886 178.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -89.21 -27.51 20.59 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.156 -0.474 . . . . 15.11 111.549 179.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 87' ' ' ASN . . . . . . . . . . . . . 14.4 p-10 -131.3 96.4 4.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.541 0.686 . . . . 12.35 111.876 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 88' ' ' SER . . . . . . . . . . . . . 1.2 m -122.1 7.67 9.76 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.322 0.582 . . . . 10.32 109.986 179.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 89' ' ' THR . . . . . 0.434 ' HA ' ' HB ' ' C' ' 23' ' ' THR . 2.8 m -93.74 130.05 39.86 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.422 -0.808 . . . . 9.82 111.312 -179.288 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 90' ' ' ILE . . . . . . . . . . . . . 49.4 mm -94.79 130.88 43.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 108.98 -0.748 . . . . 6.59 108.98 178.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 91' ' ' THR . . . . . 0.556 ' HB ' ' HB2' ' C' ' 66' ' ' LEU . 2.0 m -80.89 103.3 10.63 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.024 0.44 . . . . 8.75 111.097 -179.315 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 92' ' ' VAL . . . . . 0.472 ' HB ' ' HA ' ' C' ' 26' ' ' LYS . 42.2 t -93.37 117.42 36.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.167 -0.47 . . . . 9.58 109.925 179.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 93' ' ' MET . . . . . 0.475 ' O ' ' HB3' ' C' ' 64' ' ' LYS . 6.3 ttt -126.5 58.97 1.37 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.389 -0.369 . . . . 10.9 110.828 -179.458 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 94' ' ' ILE . . . . . 0.536 HD13 ' HB2' ' C' ' 57' ' ' ALA . 92.8 mt -56.36 130.39 18.94 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 CA-C-N 116.112 -0.494 . . . . 13.44 111.012 179.66 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 95' ' ' LYS . . . . . 0.517 ' O ' ' HB3' ' C' ' 62' ' ' GLU . 75.3 mmtt . . . . . 0 C--N 1.326 -0.436 0 CA-C-N 115.9 -0.591 . . . . 14.6 110.698 -179.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.9 m . . . . . 0 CA--C 1.52 -0.189 0 CA-C-O 120.645 0.259 . . . . 10.77 110.487 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.617 ' HB2' ' HB2' ' B' ' 84' ' ' ASN . . . 57.86 42.23 23.5 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.344 0.593 . . . . 8.07 109.689 -178.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.43 ' HB2' ' HB2' ' A' ' 21' ' ' GLU . 0.7 OUTLIER -58.1 152.88 15.84 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.975 -1.012 . . . . 10.11 110.929 -179.254 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 40.3 mmtm -55.64 -47.01 77.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 10.66 111.332 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -75.79 -29.31 58.69 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.575 -0.284 . . . . 11.43 110.999 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.43 ' HB2' ' HB2' ' A' ' 18' ' ' SER . 59.0 tt0 -58.48 -39.19 79.31 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 121.389 0.614 . . . . 8.91 109.656 179.464 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 52.2 mt -87.12 -43.48 15.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.503 -0.771 . . . . 6.35 110.895 179.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.91 -41.9 75.25 Favored 'General case' 0 C--O 1.234 0.239 0 N-CA-C 112.113 0.412 . . . . 7.12 112.113 -179.317 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.49 -40.57 87.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.883 0.373 . . . . 7.6 111.211 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 91.5 mt -70.48 -33.92 71.79 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.179 -0.464 . . . . 5.59 111.248 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 91.3 mt -65.74 -53.05 42.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.148 -0.478 . . . . 4.33 110.664 179.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 20.2 m -66.4 -32.6 58.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.481 -0.327 . . . . 6.96 111.16 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -64.08 -37.37 87.19 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.235 0.54 . . . . 7.34 109.56 178.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.445 ' O ' HG13 ' A' ' 33' ' ' ILE . 44.9 t80 -64.73 -49.69 69.82 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.667 -0.697 . . . . 5.51 110.045 179.139 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.2 m-30 -60.76 -44.26 96.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.121 -0.49 . . . . 6.35 111.332 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.8 m -60.1 -39.72 87.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 8.01 111.298 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.562 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 24.6 m -68.35 -34.72 76.59 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.396 -0.366 . . . . 8.27 111.412 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.445 HG13 ' O ' ' A' ' 29' ' ' TYR . 98.3 mt -61.03 -45.28 98.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.536 -0.302 . . . . 8.37 111.549 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.446 HG13 HD12 ' A' ' 47' ' ' LEU . 2.9 m -74.97 -28.24 20.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 C-N-CA 120.989 -0.284 . . . . 9.63 111.746 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -61.26 -43.58 98.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.958 0.409 . . . . 10.98 111.311 179.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.562 ' HG2' ' O ' ' A' ' 32' ' ' SER . 18.7 pttt -94.46 5.44 51.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.022 -0.535 . . . . 11.09 110.782 179.592 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.0 mttm 51.57 54.54 10.84 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.522 -0.763 . . . . 11.72 112.757 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.438 ' HG3' ' HG3' ' A' ' 36' ' ' LYS . 7.5 mt-10 -87.51 -29.06 21.63 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.16 -0.473 . . . . 9.58 110.968 179.38 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.462 HD11 ' HB1' ' B' ' 57' ' ' ALA . 12.9 tt -86.73 164.16 2.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.154 -0.476 . . . . 9.5 110.516 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.1 p -72.71 165.87 23.95 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.968 0.413 . . . . 9.96 111.477 -179.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -62.62 -35.97 81.29 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.782 -0.645 . . . . 11.9 110.531 179.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.62 -30.79 61.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.991 -0.55 . . . . 10.3 110.857 -179.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -75.41 -14.6 81.82 Favored Glycine 0 C--N 1.33 0.235 0 CA-C-N 115.955 -0.566 . . . . 8.47 112.981 -179.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.87 -41.58 99.44 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.895 0.379 . . . . 8.42 110.257 179.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.753 ' HB3' ' H ' ' C' ' 71' ' ' VAL . 5.0 m-20 -62.49 -40.53 96.99 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.759 -0.655 . . . . 9.73 110.049 179.515 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -63.06 -43.94 97.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.534 -0.757 . . . . 7.86 111.471 -179.443 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.446 HD12 HG13 ' A' ' 34' ' ' VAL . 23.0 mt -66.94 -35.46 80.02 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.993 -0.283 . . . . 6.77 111.002 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -59.8 -52.8 63.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.102 -0.499 . . . . 9.39 110.874 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.673 HG21 HD13 ' C' ' 66' ' ' LEU . 7.8 p -69.39 -40.01 79.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 112.425 0.528 . . . . 9.6 112.425 -179.186 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.76 -48.61 80.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.795 0.331 . . . . 7.62 110.336 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 36.3 ttm -63.25 -40.69 98.14 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.858 -0.61 . . . . 8.19 110.388 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -61.68 -50.56 72.01 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.568 -0.742 . . . . 11.12 110.941 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 91.7 m -64.91 -38.57 91.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.325 -0.398 . . . . 9.77 111.822 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 65.3 mt -61.85 -36.65 75.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-O 121.043 0.449 . . . . 9.06 110.365 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 32.9 m -59.92 -53.7 54.83 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.678 -0.692 . . . . 10.96 111.797 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -71.01 -26.39 63.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.854 0.359 . . . . 12.89 111.903 -179.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.08 -48.52 67.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.134 -0.485 . . . . 11.68 111.239 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -83.47 -13.82 53.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.47 -0.332 . . . . 11.93 111.685 -179.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.03 45.95 6.87 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.683 -0.77 . . . . 13.13 113.006 179.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 20.1 p90 -144.66 141.63 29.5 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.115 -0.328 . . . . 12.01 110.115 179.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -73.21 146.22 45.68 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.679 -0.489 . . . . 14.85 109.679 179.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 17.3 ttp180 -57.58 -43.49 84.64 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.082 0.468 . . . . 11.66 110.779 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 51.7 mp0 -76.08 -3.41 35.8 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.773 -0.649 . . . . 13.0 111.731 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.95 -1.0 57.89 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.866 0.365 . . . . 12.82 111.198 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 14.4 p -60.89 -33.38 55.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 10.88 110.983 179.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.5 m -64.15 -39.0 93.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.037 -0.528 . . . . 12.04 111.067 179.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.33 -40.96 69.21 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.949 -0.643 . . . . 12.77 111.675 179.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 64.4 mt -62.96 -45.1 99.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.952 0.406 . . . . 11.54 110.377 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.438 ' O ' ' HB3' ' A' ' 75' ' ' LYS . 68.2 mt -69.98 -23.57 63.19 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.141 -0.481 . . . . 10.42 110.982 179.704 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -72.71 -34.43 59.64 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.952 -0.642 . . . . 12.46 112.875 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.2 ptpt -91.46 -27.57 18.18 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.211 0.448 . . . . 14.12 112.211 -179.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.8 m -87.64 147.58 25.21 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.614 -0.266 . . . . 10.83 110.696 -179.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.41 ' OE1' ' HD2' ' B' ' 90' ' ' PRO . 77.3 mm-40 -77.15 54.75 1.1 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.494 0.664 . . . . 10.68 111.525 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -139.77 11.7 2.47 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.428 -0.805 . . . . 8.37 109.246 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.438 ' HB3' ' O ' ' A' ' 69' ' ' LEU . 5.2 ptmt -64.02 132.88 51.92 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.99 -1.005 . . . . 12.83 111.365 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 79.3 18.93 73.02 Favored Glycine 0 N--CA 1.449 -0.438 0 CA-C-N 115.747 -0.66 . . . . 9.82 112.732 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -133.11 149.36 52.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.827 0.346 . . . . 8.93 111.243 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 17.0 m80 -115.69 163.25 16.08 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.96 -0.756 . . . . 8.72 108.96 179.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.415 HD11 HD11 ' B' ' 79' ' ' LEU . 21.7 tp -56.14 -40.24 73.5 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.834 0.679 . . . . 4.7 112.834 -179.021 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.87 -44.78 84.34 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.363 0.505 . . . . 5.96 112.363 -179.009 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -58.66 -53.52 57.38 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.098 0.475 . . . . 7.82 110.912 -179.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 41.0 mt -61.69 -47.12 94.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.489 -0.778 . . . . 5.79 112.09 -178.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.582 HD21 HD12 ' B' ' 25' ' ' LEU . 14.5 tp -60.2 -43.68 95.75 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.528 0.566 . . . . 5.97 112.528 -178.544 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -71.49 -28.0 63.62 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.925 -0.31 . . . . 9.2 111.301 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.5 m -75.82 -43.92 43.63 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.414 -0.357 . . . . 7.98 110.909 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -103.61 92.18 4.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.103 0.478 . . . . 7.06 110.885 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.726 ' HG ' ' N ' ' B' ' 14' ' ' MET . 3.4 m -119.74 175.34 5.92 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.036 -0.529 . . . . 9.21 110.573 -179.739 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 88' ' ' ARG . 0.2 OUTLIER -133.51 159.99 38.76 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.7 -0.227 . . . . 9.55 110.628 -179.817 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.44 ' HA ' ' HD3' ' A' ' 90' ' ' PRO . 45.9 t -106.75 118.75 53.53 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 116.157 -0.474 . . . . 12.15 109.911 179.395 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 89' ' ' VAL . 5.4 Cg_exo -74.47 91.25 0.98 Allowed 'Trans proline' 0 N--CA 1.465 -0.196 0 C-N-CA 123.168 2.579 . . . . 12.82 112.324 -179.585 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -86.25 115.74 23.99 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.334 -0.393 . . . . 14.19 111.08 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 36.7 m . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.143 -0.932 . . . . 15.67 110.475 179.201 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' MET . . . . . 0.726 ' N ' ' HG ' ' A' ' 87' ' ' SER . 46.4 ttp . . . . . 0 N--CA 1.482 1.147 0 CA-C-O 120.547 0.213 . . . . 11.23 111.343 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 16.5 mmt -99.42 43.5 1.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.808 -0.178 . . . . 13.11 111.224 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 1.4 m 63.01 90.73 0.08 Allowed 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.278 -0.419 . . . . 11.45 111.072 -179.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.89 109.64 0.99 Allowed 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.076 -0.511 . . . . 8.27 111.353 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . 0.641 ' HB2' ' HG3' ' B' ' 21' ' ' GLU . 3.4 m -77.98 161.56 27.42 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.896 -0.593 . . . . 9.28 111.308 -179.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . 0.443 ' H ' ' HG2' ' B' ' 19' ' ' LYS . 20.4 mmtp -53.24 -50.81 63.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.007 -0.542 . . . . 8.44 112.065 -179.349 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 8.1 pm0 -63.79 -34.79 78.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 9.58 111.846 -179.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.641 ' HG3' ' HB2' ' B' ' 18' ' ' SER . 26.7 mt-10 -68.9 -40.29 79.24 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.101 -0.499 . . . . 8.61 110.331 -179.723 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.575 HG12 HD23 ' A' ' 83' ' ' LEU . 82.1 mt -69.27 -42.19 81.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 109.317 -0.623 . . . . 4.87 109.317 178.712 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.532 ' HA ' HD12 ' B' ' 26' ' ' ILE . . . -62.03 -33.09 73.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.709 -0.678 . . . . 4.42 111.015 179.665 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.52 -39.58 88.32 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.277 -0.419 . . . . 5.79 110.474 179.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.582 HD12 HD21 ' A' ' 83' ' ' LEU . 70.5 mt -73.32 -31.81 64.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.186 -0.461 . . . . 4.52 110.364 179.331 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.532 HD12 ' HA ' ' B' ' 23' ' ' ALA . 94.8 mt -63.98 -51.79 64.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.818 -0.628 . . . . 4.37 110.007 179.281 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 18.8 m -67.48 -33.52 62.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.398 -0.364 . . . . 6.25 110.684 179.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -62.26 -39.42 92.84 Favored 'General case' 0 CA--C 1.52 -0.184 0 N-CA-C 109.457 -0.572 . . . . 6.91 109.457 178.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -62.3 -48.9 77.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.848 -0.614 . . . . 7.07 110.238 179.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -64.08 -40.65 96.7 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.284 -0.416 . . . . 8.36 110.827 179.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 50.6 m -62.69 -37.81 87.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 9.5 110.293 179.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 43.8 m -68.89 -20.64 64.25 Favored 'General case' 0 C--O 1.225 -0.204 0 CA-C-N 115.934 -0.576 . . . . 9.77 110.586 179.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.805 HG23 ' HB2' ' B' ' 38' ' ' GLU . 95.1 mt -84.3 -44.5 17.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.302 -0.408 . . . . 11.09 110.594 179.596 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 29.1 m -71.56 -33.18 48.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 113.262 0.838 . . . . 12.38 113.262 -178.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -61.2 -42.94 99.47 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 112.38 0.511 . . . . 13.19 112.38 -179.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . 0.448 ' H ' ' HG2' ' B' ' 36' ' ' LYS . 0.0 OUTLIER -101.74 10.72 39.76 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.031 0.444 . . . . 13.7 110.925 179.332 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 17.6 ttmm 47.92 69.43 0.53 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.037 -0.983 . . . . 15.86 113.332 179.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . 0.805 ' HB2' HG23 ' B' ' 33' ' ' ILE . 36.0 mt-10 -88.65 -11.3 45.74 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.486 0.66 . . . . 12.56 109.525 178.608 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 17.1 tt -120.92 163.3 18.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.348 -0.842 . . . . 13.67 110.014 -179.155 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.23 161.69 29.68 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.716 0.293 . . . . 15.14 110.996 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.8 -28.36 63.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.437 . . . . 16.66 112.177 -179.569 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.43 -62.15 1.87 Allowed 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 110.286 -0.264 . . . . 15.52 110.286 178.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.32 -30.76 74.96 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 121.198 -0.525 . . . . 13.17 112.127 179.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.08 -38.76 92.45 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.773 0.32 . . . . 12.42 110.464 179.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.48 -42.32 92.32 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.199 -0.667 . . . . 13.38 109.199 179.344 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . 0.577 ' HA ' HD12 ' C' ' 27' ' ' ILE . 0.7 OUTLIER -63.9 -47.77 79.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.595 -0.73 . . . . 11.72 110.793 179.327 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 86.6 mt -64.98 -31.73 73.11 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.295 -0.412 . . . . 9.64 111.352 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -54.95 -49.23 71.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.946 -0.57 . . . . 11.12 110.82 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 7.8 p -83.38 -35.71 12.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.268 -0.424 . . . . 10.04 111.209 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.11 -40.4 89.54 Favored 'General case' 0 N--CA 1.462 0.164 0 N-CA-C 112.061 0.393 . . . . 8.26 112.061 -179.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 46.6 mtm -61.79 -38.51 88.38 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-O 120.763 0.316 . . . . 7.93 111.295 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -66.99 -31.34 71.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.082 -0.508 . . . . 9.48 110.82 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 30.2 m -65.42 -34.34 78.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.953 -0.567 . . . . 8.11 110.584 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 71.4 mt -68.65 -44.56 82.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.936 -0.575 . . . . 6.13 111.307 -179.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.81 -50.82 72.0 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 112.55 0.574 . . . . 7.39 112.55 -179.126 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -68.31 -33.18 73.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.254 -0.43 . . . . 8.81 112.066 -178.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . 0.462 ' HB1' HD11 ' A' ' 39' ' ' ILE . . . -70.68 -52.8 18.69 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.131 0.419 . . . . 7.38 112.131 -179.441 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -71.81 -38.33 70.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.574 -0.284 . . . . 8.09 111.664 -179.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 106.86 59.86 0.58 Allowed Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.297 -0.954 . . . . 9.43 112.839 179.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -156.81 152.29 26.71 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.863 -0.421 . . . . 8.7 109.863 179.051 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . 0.602 ' HB3' ' HB3' ' B' ' 64' ' ' ALA . 0.3 OUTLIER -76.78 132.68 39.38 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.969 0.414 . . . . 11.16 111.089 -179.924 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 19.0 ttp-105 -70.64 -33.92 71.51 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.341 -0.845 . . . . 10.74 110.574 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -90.42 2.01 56.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.108 0.48 . . . . 11.8 111.546 -179.473 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . 0.602 ' HB3' ' HB3' ' B' ' 61' ' ' GLU . . . -122.82 28.55 7.22 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.216 -0.447 . . . . 10.53 110.342 179.573 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.555 ' HA ' HD12 ' B' ' 68' ' ' ILE . 13.9 p -66.59 -29.49 46.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.774 -0.648 . . . . 9.11 110.929 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -35.72 80.26 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 116.081 -0.509 . . . . 10.71 110.523 179.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -69.72 -30.49 70.61 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.937 -0.649 . . . . 11.05 111.713 179.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . 0.555 HD12 ' HA ' ' B' ' 65' ' ' VAL . 33.9 mt -71.2 -46.78 64.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 109.794 -0.447 . . . . 9.74 109.794 179.516 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.411 ' O ' ' HB3' ' B' ' 75' ' ' LYS . 75.2 mt -63.85 -36.81 85.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.92 -0.582 . . . . 9.17 110.178 179.503 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -74.57 -18.3 79.96 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.905 -0.664 . . . . 11.56 112.029 179.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -89.85 -47.24 8.01 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.755 0.312 . . . . 12.46 110.487 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 66.8 m -73.62 177.51 5.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.057 -0.52 . . . . 9.82 112.347 -179.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.423 ' H ' ' HG2' ' B' ' 73' ' ' GLU . 7.5 pt-20 -74.33 -26.17 59.99 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.631 -0.713 . . . . 10.24 111.249 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -87.46 97.58 10.91 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.046 -0.524 . . . . 7.68 111.303 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 75' ' ' LYS . . . . . 0.411 ' HB3' ' O ' ' B' ' 69' ' ' LEU . 0.1 OUTLIER -133.68 139.82 46.66 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.929 -0.578 . . . . 11.56 109.954 179.133 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 79.62 -47.85 3.34 Favored Glycine 0 CA--C 1.517 0.205 0 C-N-CA 121.097 -0.573 . . . . 8.65 111.95 -179.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -70.77 128.35 35.77 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 110.027 -0.36 . . . . 7.58 110.027 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 38.7 m80 -87.01 162.78 17.43 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.286 -0.635 . . . . 7.9 109.286 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.415 HD11 HD11 ' A' ' 79' ' ' LEU . 39.8 tp -57.04 -39.84 75.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.856 0.36 . . . . 4.14 111.231 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.65 -41.07 92.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.061 -0.518 . . . . 5.79 111.542 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -59.85 -51.09 71.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 6.75 110.614 -179.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 55.7 mt -62.98 -48.56 87.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.733 -0.667 . . . . 4.76 111.082 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 5.3 mp -61.49 -30.03 70.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.085 -0.507 . . . . 5.48 111.854 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 84' ' ' ASN . . . . . 0.617 ' HB2' ' HB2' ' A' ' 17' ' ' ALA . 55.5 t30 -77.65 -40.44 41.75 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.93 -0.308 . . . . 7.63 110.523 179.255 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 18.1 m -66.53 -38.45 87.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.943 -0.572 . . . . 6.84 110.492 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.42 111.9 2.51 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.629 -0.714 . . . . 6.55 110.879 179.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 6.5 m -100.53 100.41 11.14 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.916 -0.584 . . . . 8.4 110.886 -179.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 15.0 mmm180 -100.79 123.07 44.46 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.944 -0.571 . . . . 10.35 110.105 179.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 19.1 t -120.85 94.23 48.87 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-N 116.182 -0.463 . . . . 11.96 109.969 179.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 90' ' ' PRO . . . . . 0.41 ' HD2' ' OE1' ' A' ' 73' ' ' GLU . 14.7 Cg_exo . . . . . 0 N--CA 1.462 -0.345 0 C-N-CA 122.977 2.451 . . . . 13.1 111.124 179.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 37.5 t . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.481 -0.563 . . . . 9.95 109.481 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 21' ' ' HIS . . . . . . . . . . . . . 66.7 t60 -75.13 113.66 12.73 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.042 -0.527 . . . . 9.34 110.97 -179.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 22' ' ' LEU . . . . . . . . . . . . . 94.7 mt -120.25 137.46 54.21 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.163 -0.472 . . . . 6.88 111.209 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 23' ' ' THR . . . . . 0.635 HG23 ' HG2' ' C' ' 35' ' ' GLU . 23.2 m -106.47 112.82 25.99 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.343 -0.614 . . . . 8.91 109.343 179.089 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 24' ' ' LEU . . . . . 0.485 ' HB2' HG13 ' C' ' 34' ' ' ILE . 33.5 mt -92.64 123.41 35.91 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.704 -0.225 . . . . 8.66 110.83 -179.072 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 16.2 tptm -139.04 124.68 19.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.419 . . . . 13.38 111.018 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 26' ' ' LYS . . . . . 0.56 ' HE2' HD12 ' C' ' 94' ' ' ILE . 7.7 ttpp -91.11 118.92 30.82 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.468 -0.567 . . . . 14.09 109.468 178.636 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 27' ' ' ILE . . . . . 0.577 HD12 ' HA ' ' B' ' 46' ' ' SER . 17.8 pt -69.62 -41.05 80.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.095 -0.502 . . . . 14.88 112.297 -178.76 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . 0.5 ' H ' ' HG3' ' C' ' 28' ' ' GLN . 0.0 OUTLIER -87.15 154.39 20.77 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.537 -0.301 . . . . 15.23 111.031 -179.79 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.66 141.56 92.99 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.378 -0.373 . . . . 18.5 111.126 -179.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 30' ' ' PRO . . . . . 0.415 ' O ' ' HE3' ' C' ' 26' ' ' LYS . 71.6 Cg_endo -77.91 141.96 68.51 Favored 'Cis proline' 0 C--N 1.344 0.33 0 C-N-CA 123.218 -1.576 . . . . 17.48 111.549 -0.645 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 31' ' ' LYS . . . . . 0.554 ' HE2' ' O ' ' C' ' 27' ' ' ILE . 87.3 mttt -87.88 135.27 33.47 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.91 0.386 . . . . 17.53 111.554 -179.35 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 42.6 p90 -145.42 147.24 32.02 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.848 -0.615 . . . . 13.5 110.006 178.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 33' ' ' SER . . . . . . . . . . . . . 2.9 m -132.03 118.26 19.47 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.234 -0.439 . . . . 12.36 110.015 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . 0.485 HG13 ' HB2' ' C' ' 24' ' ' LEU . 8.5 pt -137.01 146.55 28.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.371 -0.377 . . . . 10.72 109.998 179.662 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 35' ' ' GLU . . . . . 0.635 ' HG2' HG23 ' C' ' 23' ' ' THR . 30.8 mt-10 -123.56 143.73 50.02 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.762 0.315 . . . . 10.54 111.14 -179.386 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 36' ' ' HIS . . . . . . . . . . . . . 14.4 t60 -157.53 141.09 15.66 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.198 -0.455 . . . . 9.85 110.086 179.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -94.48 113.6 25.47 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.278 -0.638 . . . . 9.77 109.278 179.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 38' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -99.61 -178.81 4.0 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.739 0.304 . . . . 9.82 111.053 -179.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 39' ' ' SER . . . . . 0.429 ' HA ' ' HD3' ' C' ' 40' ' ' PRO . 0.5 OUTLIER -99.22 148.59 34.84 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 116.731 -0.213 . . . . 11.97 110.7 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 40' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' C' ' 39' ' ' SER . 22.8 Cg_exo -65.43 -17.67 58.2 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.736 2.291 . . . . 12.89 111.789 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.99 2.16 54.41 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.69 -0.686 . . . . 14.42 111.014 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 42' ' ' ASP . . . . . 0.402 ' O ' ' HG ' ' C' ' 78' ' ' LEU . 58.5 m-20 -95.01 157.37 15.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.423 -0.353 . . . . 11.77 110.568 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 27.8 p -111.23 179.26 4.09 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.233 -0.44 . . . . 11.4 110.335 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 45.1 mm -64.52 -27.76 43.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.032 0.444 . . . . 7.86 110.447 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 53.2 tp -59.12 -39.09 81.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.78 -0.645 . . . . 12.88 110.967 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 46' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -62.93 -39.08 93.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.199 -0.455 . . . . 12.18 110.585 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 44.4 mt -65.53 -42.95 94.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.927 -0.579 . . . . 8.04 110.215 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -61.82 -46.4 89.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.861 -0.609 . . . . 10.51 110.684 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -62.92 -36.63 84.03 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.018 -0.537 . . . . 13.94 110.397 179.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 50' ' ' HIS . . . . . 0.408 ' O ' ' HG2' ' C' ' 54' ' ' GLU . 68.6 t60 -63.62 -37.15 86.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.981 -0.554 . . . . 11.16 110.611 179.364 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 51' ' ' LEU . . . . . 0.411 HD21 HD13 ' C' ' 24' ' ' LEU . 61.3 mt -62.24 -32.08 72.72 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.437 -0.347 . . . . 12.37 111.283 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 52' ' ' ILE . . . . . . . . . . . . . 69.3 mt -66.89 -45.72 86.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.2 -0.454 . . . . 15.35 110.1 179.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.21 -30.21 71.28 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.196 -0.456 . . . . 15.02 111.097 179.47 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 54' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' C' ' 50' ' ' HIS . 5.8 mm-40 -78.43 0.43 25.86 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.289 -0.414 . . . . 14.38 110.597 179.647 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 62.69 42.07 8.59 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.849 -0.614 . . . . 18.85 111.281 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 35.0 mmtm -128.6 10.53 6.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.269 -0.423 . . . . 14.47 111.527 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -157.91 164.41 36.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.303 -0.408 . . . . 15.28 110.81 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 58' ' ' SER . . . . . 0.4 ' HB3' ' OE1' ' C' ' 62' ' ' GLU . 25.2 t -118.87 -75.7 0.58 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.474 -0.33 . . . . 17.75 111.099 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 59' ' ' HIS . . . . . 0.441 ' HB2' ' HG3' ' C' ' 62' ' ' GLU . 86.0 m-70 -100.86 153.28 19.62 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.676 0.274 . . . . 19.22 110.595 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 45.9 mm -65.86 -39.03 83.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.02 -0.536 . . . . 13.8 111.443 -179.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 3.4 p -68.12 -18.83 64.75 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.175 -0.466 . . . . 14.67 112.236 -179.076 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 62' ' ' GLU . . . . . 0.441 ' HG3' ' HB2' ' C' ' 59' ' ' HIS . 52.2 mt-10 -83.46 -15.97 47.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.927 0.394 . . . . 16.71 110.771 -179.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 63' ' ' ILE . . . . . . . . . . . . . 25.5 mt -89.69 104.53 15.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.035 -0.529 . . . . 10.79 111.68 -178.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 64' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -102.1 95.58 6.43 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.552 -0.749 . . . . 9.73 109.538 179.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 65' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' C' ' 92' ' ' VAL . 86.4 mt -93.24 146.44 23.69 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.121 -0.49 . . . . 5.89 110.594 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 66' ' ' LEU . . . . . 0.835 ' HG ' ' HB ' ' C' ' 91' ' ' THR . 0.7 OUTLIER -154.76 160.92 41.63 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.434 -0.348 . . . . 7.57 110.701 -179.865 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 67' ' ' LEU . . . . . 0.401 HD13 HD13 ' C' ' 90' ' ' ILE . 43.3 tp -146.58 115.3 6.83 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.834 -0.621 . . . . 7.44 109.916 179.142 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 68' ' ' LYS . . . . . 0.465 ' HE3' ' HB3' ' C' ' 68' ' ' LYS . 24.5 mmmt 62.42 29.97 17.25 Favored 'General case' 0 C--N 1.332 -0.16 0 O-C-N 123.621 0.576 . . . . 12.88 111.397 179.464 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 95.26 -31.57 6.94 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.954 -0.641 . . . . 8.93 111.877 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 70' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -70.63 114.18 8.47 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.97 -0.382 . . . . 9.44 109.97 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 71' ' ' VAL . . . . . 0.753 ' H ' ' HB3' ' A' ' 45' ' ' ASP . 60.7 t -63.97 126.29 22.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.594 -0.521 . . . . 7.05 109.594 179.266 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 52.4 mt -80.78 91.39 5.92 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.306 0.574 . . . . 5.9 110.59 -179.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 73' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -69.43 144.72 53.24 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.27 -0.877 . . . . 8.93 109.584 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -49.3 -45.43 45.22 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 113.077 0.769 . . . . 9.91 113.077 -178.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 75' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -80.56 55.6 2.37 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.241 -0.436 . . . . 13.36 112.094 -179.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 76' ' ' LEU . . . . . . . . . . . . . 32.7 tp -139.78 128.38 23.03 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.567 -0.531 . . . . 9.58 109.567 179.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -81.34 149.64 28.82 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.227 -0.442 . . . . 14.32 111.043 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 78' ' ' LEU . . . . . 0.599 ' HA ' ' HG ' ' C' ' 81' ' ' LEU . 21.3 mt -64.05 -17.16 63.1 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.974 -0.557 . . . . 9.53 112.011 -179.256 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 79' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.53 -19.48 63.71 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.339 -0.391 . . . . 12.75 110.875 179.651 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 80' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -96.61 5.14 51.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.106 0.479 . . . . 12.44 111.058 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 81' ' ' LEU . . . . . 0.599 ' HG ' ' HA ' ' C' ' 78' ' ' LEU . 30.1 mt -77.82 122.3 25.25 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.837 0.351 . . . . 10.15 110.396 179.543 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 82' ' ' LYS . . . . . . . . . . . . . 41.2 mmtt -82.26 47.1 1.1 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.157 0.503 . . . . 12.59 110.662 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -85.52 115.46 27.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.918 -0.583 . . . . 11.5 111.745 -179.35 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 84' ' ' THR . . . . . . . . . . . . . 2.3 p -111.85 162.98 18.78 Favored Pre-proline 0 C--N 1.319 -0.754 0 N-CA-C 108.358 -0.978 . . . . 13.96 108.358 179.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 85' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -54.84 -31.25 71.95 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.81 2.34 . . . . 14.91 112.545 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -72.76 -21.07 61.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.399 -0.364 . . . . 15.11 111.865 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 87' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -155.65 74.51 0.88 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.153 0.501 . . . . 12.35 111.912 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 88' ' ' SER . . . . . . . . . . . . . 1.1 m -96.65 11.57 34.9 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.264 0.554 . . . . 10.32 110.222 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 89' ' ' THR . . . . . . . . . . . . . 11.2 m -88.87 124.87 34.61 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.773 -0.648 . . . . 9.82 112.109 -179.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 90' ' ' ILE . . . . . 0.401 HD13 HD13 ' C' ' 67' ' ' LEU . 49.1 mm -92.56 125.92 45.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 108.469 -0.938 . . . . 6.59 108.469 178.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 91' ' ' THR . . . . . 0.835 ' HB ' ' HG ' ' C' ' 66' ' ' LEU . 2.0 m -74.39 111.64 9.77 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.123 -0.489 . . . . 8.75 110.958 -179.336 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 92' ' ' VAL . . . . . 0.425 ' O ' ' HA ' ' C' ' 26' ' ' LYS . 42.4 t -98.22 129.07 49.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.948 -0.569 . . . . 9.58 110.157 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 93' ' ' MET . . . . . 0.447 ' SD ' HD11 ' C' ' 27' ' ' ILE . 7.9 mtm -135.82 143.04 44.94 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.514 -0.312 . . . . 10.9 110.223 179.426 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 94' ' ' ILE . . . . . 0.56 HD12 ' HE2' ' C' ' 26' ' ' LYS . 63.6 mt -116.9 116.96 53.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 109.794 -0.447 . . . . 13.44 109.794 179.12 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 95' ' ' LYS . . . . . . . . . . . . . 20.3 mmtp . . . . . 0 C--N 1.321 -0.64 0 CA-C-N 115.877 -0.601 . . . . 14.6 110.234 -179.953 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.273 0 CA-C-O 120.43 0.157 . . . . 10.47 111.094 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 11.0 mmt -76.32 -74.87 0.21 Allowed 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.601 0.239 . . . . 11.61 111.539 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.0 m -142.54 -14.48 0.76 Allowed 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.015 0.376 . . . . 10.77 112.015 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 60.48 46.86 9.23 Favored 'General case' 0 CA--C 1.521 -0.136 0 CA-C-O 121.327 0.584 . . . . 8.07 110.646 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.9 m -70.03 171.62 9.23 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.413 -0.812 . . . . 10.11 110.17 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.1 mtmm -54.56 -41.82 70.24 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.249 -0.432 . . . . 10.66 112.064 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.0 pm0 -69.34 -35.38 75.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.506 0.193 . . . . 11.43 111.314 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -64.73 -47.45 78.21 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 121.048 0.452 . . . . 8.91 110.273 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 65.6 mt -69.82 -43.58 79.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.672 -0.694 . . . . 6.35 111.163 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.69 -43.19 72.29 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 112.136 0.421 . . . . 7.12 112.136 -179.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.25 -42.97 92.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 7.6 110.935 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 74.7 mt -69.41 -34.9 75.16 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.162 -0.472 . . . . 5.59 111.34 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 91.8 mt -65.57 -52.12 54.73 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-N 116.267 -0.424 . . . . 4.33 110.516 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.4 m -65.99 -31.66 54.68 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 CA-C-N 116.393 -0.367 . . . . 6.96 110.924 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -66.92 -40.9 87.75 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.849 -0.426 . . . . 7.34 109.849 178.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.476 ' HB2' ' HB3' ' A' ' 79' ' ' LEU . 29.4 t80 -60.25 -46.84 88.41 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.904 -0.589 . . . . 5.51 109.874 178.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.2 m-30 -61.23 -39.82 91.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.073 -0.512 . . . . 6.35 110.427 179.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.403 ' O ' ' HB2' ' A' ' 35' ' ' GLU . 25.1 m -64.06 -36.46 84.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.838 -0.619 . . . . 8.01 110.329 179.135 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 17.3 m -67.96 -41.02 83.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.043 -0.526 . . . . 8.27 110.486 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.483 HG23 ' HB2' ' A' ' 38' ' ' GLU . 78.8 mt -60.4 -48.94 86.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 116.171 -0.468 . . . . 8.37 111.34 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.2 m -73.07 -26.02 22.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 112.42 0.526 . . . . 9.63 112.42 -179.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.403 ' HB2' ' O ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -63.81 -53.91 43.42 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.85 0.357 . . . . 10.98 111.171 -179.78 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.469 ' HG3' ' HG3' ' A' ' 38' ' ' GLU . 22.2 pttt -88.4 8.26 28.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.937 0.399 . . . . 11.09 111.031 179.661 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.484 ' HE2' ' O ' ' A' ' 39' ' ' ILE . 14.6 tptm 52.47 68.68 0.79 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.352 -0.84 . . . . 11.72 112.216 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.483 ' HB2' HG23 ' A' ' 33' ' ' ILE . 2.4 mt-10 -100.87 4.9 43.14 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.974 -0.557 . . . . 9.58 110.611 179.239 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.484 ' O ' ' HE2' ' A' ' 37' ' ' LYS . 20.1 tt -140.26 149.47 21.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.837 -0.62 . . . . 9.5 109.917 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.6 p -74.23 158.53 33.93 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.387 -0.37 . . . . 9.96 110.725 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -55.48 -24.98 34.31 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.999 -0.546 . . . . 11.9 112.23 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -59.62 -54.71 43.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.187 -0.46 . . . . 10.3 110.466 179.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.99 -16.96 62.12 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.864 -0.684 . . . . 8.47 112.273 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.08 -46.3 88.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.612 0.244 . . . . 8.42 111.557 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -69.19 -29.31 67.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.745 0.307 . . . . 9.73 110.984 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 13.9 m -64.06 -47.63 79.41 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.052 0.453 . . . . 7.86 109.88 178.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 92.1 mt -71.06 -30.01 66.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 6.77 110.0 179.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 18.8 t30 -58.5 -46.67 86.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.333 -0.849 . . . . 9.39 110.631 179.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.567 HG11 HD21 ' C' ' 66' ' ' LEU . 7.7 p -79.79 -37.28 17.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.484 -0.326 . . . . 9.6 111.081 179.631 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.16 -39.15 81.6 Favored 'General case' 0 C--N 1.334 -0.078 0 CA-C-O 120.806 0.336 . . . . 7.62 110.989 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 35.2 ttm -58.32 -40.66 82.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.991 -0.549 . . . . 8.19 110.618 179.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.477 ' OD2' ' HG3' ' C' ' 95' ' ' LYS . 21.6 t70 -69.9 -40.81 75.39 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.753 -0.658 . . . . 11.12 110.876 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 69.8 m -60.15 -41.39 92.64 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 121.06 0.457 . . . . 9.77 109.91 178.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 97.6 mt -64.27 -41.96 93.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.829 -0.623 . . . . 9.06 109.763 179.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.487 ' HA ' ' CZ ' ' A' ' 60' ' ' PHE . 19.6 m -60.34 -44.31 95.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.789 -0.642 . . . . 10.96 111.429 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.406 ' HB2' ' NZ ' ' C' ' 95' ' ' LYS . 82.0 tt0 -70.14 -37.8 75.36 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.35 -0.386 . . . . 12.89 111.741 -179.617 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.75 -42.57 97.66 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.677 0.621 . . . . 11.68 112.677 -179.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -88.59 -17.81 29.36 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 112.41 0.522 . . . . 11.93 112.41 -179.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.32 58.33 1.67 Allowed Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.795 -0.717 . . . . 13.13 114.02 178.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.487 ' CZ ' ' HA ' ' A' ' 55' ' ' SER . 51.6 p90 -151.94 155.47 38.12 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.285 -0.265 . . . . 12.01 110.285 178.248 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -80.66 143.04 33.37 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.919 0.39 . . . . 14.85 111.539 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.873 HH22 ' N ' ' C' ' 98' ' ' PRO . 28.0 ttp180 -57.52 -42.29 82.54 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.648 -0.705 . . . . 11.66 111.566 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 22.8 mp0 -88.46 10.47 20.04 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.252 -0.431 . . . . 13.0 112.046 -179.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -100.24 6.1 44.69 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.917 0.389 . . . . 12.82 111.154 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.4 p -61.26 -32.22 52.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.829 -0.623 . . . . 10.88 111.078 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.55 -34.81 77.69 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.883 -0.599 . . . . 12.04 110.999 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -78.89 -38.03 24.34 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.756 -0.735 . . . . 12.77 111.679 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 53.7 mt -62.54 -43.04 98.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.723 0.296 . . . . 11.54 110.728 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 96.9 mt -68.06 -23.1 64.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 10.42 110.601 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -81.41 -50.61 4.98 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.979 -0.629 . . . . 12.46 112.212 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -66.58 -27.22 67.55 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 111.975 0.361 . . . . 14.12 111.975 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.8 m -95.08 162.01 13.89 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.214 -0.662 . . . . 10.83 109.214 178.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 54.7 mm-40 -89.2 56.63 3.73 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.033 0.445 . . . . 10.68 111.232 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -133.65 18.32 3.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.407 0.622 . . . . 8.37 110.052 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.659 ' HD2' ' H ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -68.81 129.82 41.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.615 -0.72 . . . . 12.83 110.634 179.834 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 80.76 15.81 76.8 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.613 -0.803 . . . . 9.82 111.894 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -132.28 131.57 42.16 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.825 0.345 . . . . 8.93 110.749 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 12.7 m80 -109.17 158.48 17.77 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.756 -0.831 . . . . 8.72 108.756 179.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.476 ' HB3' ' HB2' ' A' ' 29' ' ' TYR . 24.8 tp -54.48 -33.77 60.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.859 0.361 . . . . 4.7 111.032 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.83 -57.37 8.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.942 -0.572 . . . . 5.96 111.249 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -59.96 -35.65 75.44 Favored 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 111.873 0.323 . . . . 7.82 111.873 -179.526 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 85.5 mt -64.62 -50.77 74.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.685 -0.234 . . . . 5.79 110.682 179.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.9 mp -66.1 -31.51 72.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.304 0.573 . . . . 5.97 110.4 179.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -65.13 -23.71 67.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.456 -0.793 . . . . 9.2 110.995 179.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 12.8 m -93.75 0.74 56.5 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.309 -0.405 . . . . 7.98 111.245 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -93.55 98.82 11.42 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-O 121.213 0.53 . . . . 7.06 111.377 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.7 m -89.02 65.29 7.44 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.074 -0.512 . . . . 9.21 111.322 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -72.03 120.41 17.59 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.141 -0.481 . . . . 9.55 110.009 179.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.427 ' HA ' ' HD3' ' A' ' 90' ' ' PRO . 45.5 t -104.72 116.48 60.88 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 116.447 -0.342 . . . . 12.15 110.238 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 89' ' ' VAL . 7.1 Cg_exo -74.48 102.79 1.6 Allowed 'Trans proline' 0 N--CA 1.462 -0.334 0 C-N-CA 122.883 2.389 . . . . 12.82 111.516 179.613 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -93.66 54.78 2.07 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.107 0.48 . . . . 14.19 110.105 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.251 1.134 0 CA-C-O 118.46 -0.781 . . . . 15.67 111.196 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 44.8 ttp . . . . . 0 N--CA 1.479 0.991 0 N-CA-C 110.302 -0.259 . . . . 11.23 110.302 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 13.3 mmt -82.85 59.26 4.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.943 0.402 . . . . 13.11 110.402 178.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 11.6 m 65.94 -164.76 0.23 Allowed 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 115.38 -0.827 . . . . 11.45 110.951 -179.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.469 ' HB1' HD11 ' B' ' 22' ' ' ILE . . . -128.42 83.0 2.12 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.879 0.371 . . . . 8.27 110.455 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . 0.757 ' HB2' ' HG3' ' B' ' 21' ' ' GLU . 1.4 m -69.17 141.0 54.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.094 -0.503 . . . . 9.28 110.689 179.671 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . 0.468 ' HB3' ' HE2' ' B' ' 58' ' ' PHE . 49.6 mttp -52.2 -45.84 65.35 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.978 0.733 . . . . 8.44 112.978 -178.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 3.6 pm0 -65.88 -34.17 77.52 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.721 0.296 . . . . 9.58 111.198 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.757 ' HG3' ' HB2' ' B' ' 18' ' ' SER . 29.0 mt-10 -69.58 -39.58 77.25 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.013 0.435 . . . . 8.61 110.233 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.469 HD11 ' HB1' ' B' ' 17' ' ' ALA . 72.4 mt -68.79 -45.2 81.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 109.375 -0.602 . . . . 4.87 109.375 178.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.72 -37.8 79.88 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.702 -0.681 . . . . 4.42 111.143 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.25 -40.02 92.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.113 -0.494 . . . . 5.79 110.522 179.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.4 HD21 ' HB3' ' B' ' 74' ' ' PHE . 38.3 mt -71.11 -34.16 70.83 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.28 -0.418 . . . . 4.52 110.894 179.342 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.405 HG13 ' O ' ' B' ' 22' ' ' ILE . 97.1 mt -64.19 -50.87 74.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 4.37 110.344 179.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 31.2 m -66.75 -35.1 73.95 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-O 120.917 0.389 . . . . 6.25 110.677 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -63.48 -39.99 95.9 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.12 -0.491 . . . . 6.91 109.777 178.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -59.21 -49.24 78.62 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.72 -0.673 . . . . 7.07 110.377 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -63.33 -38.83 92.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.357 -0.383 . . . . 8.36 110.581 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 42.0 m -63.61 -36.21 83.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.009 -0.541 . . . . 9.5 110.474 178.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . 0.422 ' HA ' ' OE2' ' B' ' 35' ' ' GLU . 19.2 m -70.61 -14.95 62.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.293 0.568 . . . . 9.77 111.019 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.781 HG23 ' HB3' ' B' ' 38' ' ' GLU . 97.2 mt -89.27 -45.87 15.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.049 -0.523 . . . . 11.09 110.011 179.212 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 26.9 m -74.38 -24.0 18.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 112.736 0.643 . . . . 12.38 112.736 -179.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.422 ' OE2' ' HA ' ' B' ' 32' ' ' SER . 7.8 pt-20 -64.7 -24.32 67.53 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 111.93 0.344 . . . . 13.19 111.93 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 23.4 pttm -124.54 14.26 8.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.797 0.332 . . . . 13.7 111.258 -179.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 20.3 ttmm 51.46 55.15 9.86 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.724 -0.671 . . . . 15.86 112.016 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . 0.781 ' HB3' HG23 ' B' ' 33' ' ' ILE . 83.9 tt0 -83.87 -16.53 44.1 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.531 0.682 . . . . 12.56 109.575 179.231 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . 0.427 HG13 ' N ' ' B' ' 40' ' ' SER . 4.7 tp -110.2 160.53 9.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.25 -0.887 . . . . 13.67 109.308 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . 0.427 ' N ' HG13 ' B' ' 39' ' ' ILE . 2.1 p -69.87 167.18 17.88 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.808 0.337 . . . . 15.14 111.6 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -55.08 -38.22 67.79 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.002 -0.545 . . . . 16.66 111.927 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . 0.71 ' HA ' ' HD3' ' C' ' 31' ' ' LYS . 0.3 OUTLIER -73.46 -45.29 55.05 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.104 -0.498 . . . . 15.52 110.179 179.346 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . 0.43 ' O ' ' HG ' ' B' ' 47' ' ' LEU . . . -59.77 -39.77 95.76 Favored Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 115.902 -0.59 . . . . 13.17 111.881 179.09 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.33 -45.51 91.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.839 0.352 . . . . 12.42 110.682 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . 0.402 ' HB3' ' HB ' ' C' ' 27' ' ' ILE . 0.2 OUTLIER -64.31 -43.13 95.66 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.782 -0.645 . . . . 13.38 109.757 179.556 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 19.1 m -62.99 -44.5 95.85 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.318 -0.856 . . . . 11.72 111.413 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' B' ' 43' ' ' GLY . 74.2 mt -65.83 -35.42 80.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.764 0.316 . . . . 9.64 111.051 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -58.98 -52.21 66.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.495 . . . . 11.12 110.954 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . 0.616 HG21 HG21 ' C' ' 91' ' ' THR . 14.4 p -70.14 -33.7 55.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.393 -0.367 . . . . 10.04 111.124 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.41 -42.9 96.93 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.829 0.347 . . . . 8.26 110.164 179.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 74.3 mtm -64.07 -36.47 84.12 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.928 -0.578 . . . . 7.93 110.355 179.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.16 -42.23 96.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.822 -0.626 . . . . 9.48 110.362 179.446 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' CYS . . . . . 0.464 ' SG ' ' HA2' ' C' ' 69' ' ' GLY . 35.9 m -62.3 -43.39 98.94 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.652 -0.704 . . . . 8.11 110.468 179.366 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 87.9 mt -62.81 -43.27 98.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 6.13 110.313 179.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . 0.429 ' HA ' ' CE1' ' B' ' 60' ' ' PHE . 19.8 m -59.71 -52.07 67.08 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.732 -0.667 . . . . 7.39 112.326 -179.313 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -68.83 -29.63 68.0 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.781 0.66 . . . . 8.81 112.781 -178.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.26 -39.14 65.64 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.865 0.32 . . . . 7.38 111.865 -179.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' PHE . . . . . 0.468 ' HE2' ' HB3' ' B' ' 19' ' ' LYS . 48.2 m-85 -83.97 -29.35 27.1 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.136 0.421 . . . . 8.09 112.136 -179.643 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 104.01 48.05 1.19 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.675 -0.774 . . . . 9.43 112.994 179.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . 0.429 ' CE1' ' HA ' ' B' ' 55' ' ' SER . 36.4 p90 -154.11 177.64 10.86 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.829 -0.434 . . . . 8.7 109.829 179.202 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -118.44 146.77 44.21 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.707 0.289 . . . . 11.16 110.62 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' B' ' 62' ' ' ARG . 14.0 ttp-105 -64.84 -31.38 72.59 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.328 0.585 . . . . 10.74 109.923 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -77.69 0.16 24.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.836 -0.62 . . . . 11.8 111.053 179.344 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -116.29 12.92 15.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.159 -0.473 . . . . 10.53 110.879 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 14.1 p -63.12 -34.47 66.91 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-N 116.156 -0.474 . . . . 9.11 111.12 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.37 -35.36 80.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.112 -0.494 . . . . 10.71 110.539 179.555 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -71.26 -35.6 63.77 Favored Glycine 0 N--CA 1.446 -0.636 0 CA-C-N 115.675 -0.693 . . . . 11.05 112.065 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 56.6 mt -71.04 -51.08 37.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 109.66 -0.496 . . . . 9.74 109.66 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.474 ' O ' ' HB3' ' B' ' 75' ' ' LYS . 96.6 mt -62.24 -29.57 70.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.997 -0.547 . . . . 9.17 110.998 179.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -67.05 -26.52 73.31 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 121.175 -0.536 . . . . 11.56 112.381 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 53.8 mttp -92.49 -44.24 8.75 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.768 -0.456 . . . . 12.46 109.768 179.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 68.9 m -63.68 161.78 14.38 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.582 -0.735 . . . . 9.82 111.738 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -81.77 20.75 0.91 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.74 -0.664 . . . . 10.24 110.565 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.4 ' HB3' HD21 ' B' ' 25' ' ' LEU . 44.5 m-85 -110.48 11.83 23.03 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.983 -0.553 . . . . 7.68 110.589 -179.389 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . 0.474 ' HB3' ' O ' ' B' ' 69' ' ' LEU . 12.9 ptmt -64.87 119.81 11.36 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.823 -0.626 . . . . 11.56 110.421 179.488 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 90.24 9.41 65.33 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.718 -0.753 . . . . 8.65 111.756 -179.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 14.9 mm-40 -126.97 166.69 17.05 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.122 -0.325 . . . . 7.58 110.122 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 19.8 m80 -135.27 165.32 25.7 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.426 -0.583 . . . . 7.9 109.426 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 18.1 tp -62.48 -29.65 70.69 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.321 -0.399 . . . . 4.14 110.99 179.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.89 -57.48 6.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.033 -0.53 . . . . 5.79 112.289 -179.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.58 -39.17 90.23 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 112.748 0.647 . . . . 6.75 112.748 -179.094 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.38 -45.88 94.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 120.903 0.382 . . . . 4.76 111.026 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 5.5 mp -69.51 -28.33 65.95 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.191 0.519 . . . . 5.48 110.953 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -69.82 -45.63 67.44 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.069 -0.514 . . . . 7.63 110.415 179.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 3.8 p -70.43 -40.13 73.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 6.84 110.468 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.16 114.71 3.59 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 109.536 -0.542 . . . . 6.55 109.536 178.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 6.5 m -130.83 127.58 38.91 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.238 -0.437 . . . . 8.4 111.687 -178.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 34.9 mmm-85 -124.19 142.31 51.34 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.907 -1.146 . . . . 10.35 107.907 178.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 21.8 t -113.28 107.25 53.91 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-O 120.731 0.301 . . . . 11.96 110.768 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' PRO . . . . . 0.465 ' HG2' ' HD3' ' A' ' 75' ' ' LYS . 23.7 Cg_exo -66.45 108.75 1.45 Allowed 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 123.062 2.508 . . . . 13.1 112.037 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -82.6 75.68 9.49 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.023 -0.535 . . . . 14.34 109.697 179.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 21.1 m . . . . . 0 C--O 1.25 1.118 0 CA-C-O 118.13 -0.938 . . . . 16.55 110.243 -179.714 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 59.1 t . . . . . 0 C--O 1.231 0.116 0 N-CA-C 109.304 -0.628 . . . . 9.95 109.304 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 21' ' ' HIS . . . . . . . . . . . . . 38.2 t60 -81.74 117.12 21.8 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.315 -0.402 . . . . 9.34 111.07 -178.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 22' ' ' LEU . . . . . . . . . . . . . 97.4 mt -124.73 147.8 48.43 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.017 0.437 . . . . 6.88 111.581 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 23' ' ' THR . . . . . 0.569 ' HB ' ' HA ' ' C' ' 89' ' ' THR . 11.9 m -113.88 120.61 41.32 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.727 -0.67 . . . . 8.91 109.423 179.115 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 24' ' ' LEU . . . . . 0.466 ' HB2' HG13 ' C' ' 34' ' ' ILE . 39.8 mt -99.83 116.1 31.12 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.666 0.27 . . . . 8.66 110.299 -179.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -131.15 132.3 44.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.249 -0.432 . . . . 13.38 111.417 -179.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 26' ' ' LYS . . . . . 0.431 ' HD3' ' CE2' ' C' ' 32' ' ' PHE . 8.4 ttpp -96.26 127.84 42.62 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.432 -0.581 . . . . 14.09 109.432 178.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 27' ' ' ILE . . . . . 0.794 HD13 ' H ' ' C' ' 27' ' ' ILE . 0.2 OUTLIER -78.66 -28.51 14.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 112.675 0.62 . . . . 14.88 112.675 -179.194 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . 0.451 ' H ' ' HG3' ' C' ' 28' ' ' GLN . 0.0 OUTLIER -93.1 134.44 35.25 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 110.088 -0.338 . . . . 15.23 110.088 179.785 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.74 138.44 77.62 Favored Pre-proline 0 C--N 1.331 -0.238 0 O-C-N 123.316 0.385 . . . . 18.5 111.49 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 30' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -74.91 132.41 27.43 Favored 'Cis proline' 0 C--N 1.348 0.54 0 C-N-CA 123.177 -1.593 . . . . 17.48 112.012 -0.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 31' ' ' LYS . . . . . 0.71 ' HD3' ' HA ' ' B' ' 42' ' ' ASP . 45.1 mtmt -83.9 92.89 7.9 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.033 -0.531 . . . . 17.53 111.512 -179.502 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 32' ' ' PHE . . . . . 0.431 ' CE2' ' HD3' ' C' ' 26' ' ' LYS . 43.7 p90 -91.31 159.69 15.89 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 110.02 -0.363 . . . . 13.5 110.02 178.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 33' ' ' SER . . . . . . . . . . . . . 19.9 m -147.52 115.34 6.44 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.366 -0.379 . . . . 12.36 110.582 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . 0.466 HG13 ' HB2' ' C' ' 24' ' ' LEU . 6.0 pt -131.1 144.03 39.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.135 -0.484 . . . . 10.72 110.722 -179.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 35' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -117.71 138.81 51.76 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.223 -0.444 . . . . 10.54 110.411 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 36' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -153.25 163.86 39.14 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.376 -0.374 . . . . 9.85 110.809 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -106.75 127.6 53.52 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.93 -0.577 . . . . 9.77 109.792 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 38' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -114.18 -168.92 1.43 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.194 -0.457 . . . . 9.82 110.115 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 39' ' ' SER . . . . . 0.404 ' HA ' ' HD3' ' C' ' 40' ' ' PRO . 0.4 OUTLIER -118.76 152.81 51.96 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.448 -0.342 . . . . 11.97 110.217 179.776 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 40' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' C' ' 39' ' ' SER . 16.5 Cg_exo -69.04 -18.78 40.24 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.521 2.147 . . . . 12.89 111.478 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.34 -5.01 59.34 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.718 -0.674 . . . . 14.42 110.915 179.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 42' ' ' ASP . . . . . 0.468 ' O ' ' HG ' ' C' ' 78' ' ' LEU . 75.3 m-20 -86.59 154.86 20.73 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.191 -0.458 . . . . 11.77 110.261 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 21.8 p -109.9 175.68 5.35 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.277 -0.42 . . . . 11.4 109.952 179.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 44' ' ' ILE . . . . . 0.644 HG23 HD12 ' C' ' 65' ' ' LEU . 45.7 mm -60.5 -28.33 42.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.192 0.52 . . . . 7.86 109.867 178.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 47.8 tp -62.23 -35.6 79.43 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.616 -0.72 . . . . 12.88 110.787 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 46' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -63.54 -37.78 88.64 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-N 116.364 -0.38 . . . . 12.18 110.86 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 61.7 mt -65.04 -42.96 95.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 109.492 -0.558 . . . . 8.04 109.492 178.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -61.67 -44.7 96.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.689 -0.687 . . . . 10.51 110.091 179.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -61.32 -42.1 98.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.696 -0.684 . . . . 13.94 109.915 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 50' ' ' HIS . . . . . 0.59 ' O ' ' HG2' ' C' ' 54' ' ' GLU . 3.4 t60 -63.98 -41.28 97.57 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.68 -0.691 . . . . 11.16 110.521 179.504 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 19.5 mt -59.73 -39.84 86.04 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 120.873 0.368 . . . . 12.37 111.572 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 52' ' ' ILE . . . . . . . . . . . . . 61.1 mt -67.81 -37.79 79.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 109.575 -0.528 . . . . 15.35 109.575 178.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 4.8 m -63.94 -31.59 72.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.004 -0.543 . . . . 15.02 111.0 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 54' ' ' GLU . . . . . 0.59 ' HG2' ' O ' ' C' ' 50' ' ' HIS . 4.0 mm-40 -86.56 9.35 18.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.466 -0.334 . . . . 14.38 110.674 179.34 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 56.31 44.38 24.8 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.762 -0.654 . . . . 18.85 112.358 179.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 56' ' ' LYS . . . . . 0.419 ' HD3' ' HA ' ' C' ' 56' ' ' LYS . 32.7 mmtm -115.83 0.33 13.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.25 -0.432 . . . . 14.47 110.933 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -155.43 162.82 40.68 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.915 -0.584 . . . . 15.28 109.645 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 58' ' ' SER . . . . . . . . . . . . . 8.5 t -105.38 -58.82 1.85 Allowed 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.788 -0.365 . . . . 17.75 111.981 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 59' ' ' HIS . . . . . 0.495 ' HB2' ' HG3' ' C' ' 62' ' ' GLU . 98.1 m-70 -118.06 156.07 29.25 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.857 0.36 . . . . 19.22 111.944 -179.136 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 32.8 mm -65.0 -37.05 79.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.538 -0.755 . . . . 13.8 110.832 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.37 -14.55 63.02 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.751 -0.659 . . . . 14.67 112.755 -179.028 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 62' ' ' GLU . . . . . 0.538 ' O ' ' HA ' ' C' ' 94' ' ' ILE . 41.8 mt-10 -89.52 -19.89 24.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.806 0.336 . . . . 16.71 110.71 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 63' ' ' ILE . . . . . . . . . . . . . 11.4 mt -92.12 108.94 20.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 112.625 0.602 . . . . 10.79 112.625 -177.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 64' ' ' LYS . . . . . . . . . . . . . 70.0 tttt -118.54 109.0 15.67 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.825 -0.806 . . . . 9.73 108.825 177.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 65' ' ' LEU . . . . . 0.644 HD12 HG23 ' C' ' 44' ' ' ILE . 80.9 mt -91.86 148.84 21.92 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.215 -0.448 . . . . 5.89 111.708 -178.471 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 66' ' ' LEU . . . . . 0.567 HD21 HG11 ' A' ' 49' ' ' VAL . 3.3 mp -139.96 151.67 45.73 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.01 -0.541 . . . . 7.57 110.968 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 57.2 tp -139.77 110.97 6.98 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.999 -0.546 . . . . 7.44 109.79 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 59.96 27.84 17.28 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 116.148 -0.478 . . . . 12.88 111.497 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 69' ' ' GLY . . . . . 0.464 ' HA2' ' SG ' ' B' ' 53' ' ' CYS . . . 99.28 -22.54 40.26 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.885 -0.674 . . . . 8.93 112.562 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 70' ' ' LYS . . . . . 0.526 ' HE3' ' HA ' ' C' ' 70' ' ' LYS . 0.0 OUTLIER -82.03 122.63 28.06 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.671 0.272 . . . . 9.44 110.736 -179.728 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 71' ' ' VAL . . . . . 0.472 ' HA ' ' HG ' ' C' ' 66' ' ' LEU . 40.9 t -69.28 128.58 32.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.169 -0.469 . . . . 7.05 110.741 179.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 53.2 mt -90.17 108.73 19.92 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.053 -0.522 . . . . 5.9 110.272 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 73' ' ' HIS . . . . . . . . . . . . . 6.4 m170 -82.58 156.1 24.13 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.004 -0.544 . . . . 8.93 111.522 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -57.51 -32.36 66.95 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 113.049 0.759 . . . . 9.91 113.049 -178.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 75' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -77.72 -4.22 45.1 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.659 0.615 . . . . 13.36 112.659 -179.081 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 76' ' ' LEU . . . . . . . . . . . . . 28.0 tp -84.41 134.52 34.47 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.889 0.376 . . . . 9.58 110.737 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -89.44 152.36 21.52 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.784 -0.644 . . . . 14.32 110.313 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 78' ' ' LEU . . . . . 0.532 ' HA ' ' HG ' ' C' ' 81' ' ' LEU . 23.2 mt -68.16 -15.33 63.54 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.208 -0.451 . . . . 9.53 111.185 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.01 -19.49 60.05 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.967 -0.56 . . . . 12.75 110.944 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 80' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.76 0.96 47.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.287 -0.415 . . . . 12.44 111.132 -179.609 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 81' ' ' LEU . . . . . 0.532 ' HG ' ' HA ' ' C' ' 78' ' ' LEU . 33.8 mt -72.71 122.64 21.82 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.526 -0.306 . . . . 10.15 110.64 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 82' ' ' LYS . . . . . . . . . . . . . 27.6 mmtt -82.36 58.12 3.95 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.122 -0.49 . . . . 12.59 109.718 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 5.3 m -97.48 128.28 48.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.965 -0.561 . . . . 11.5 112.134 -179.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 84' ' ' THR . . . . . 0.555 ' HB ' ' HD2' ' C' ' 85' ' ' PRO . 58.5 p -125.26 175.11 3.28 Favored Pre-proline 0 C--N 1.319 -0.752 0 N-CA-C 107.845 -1.169 . . . . 13.96 107.845 179.098 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 85' ' ' PRO . . . . . 0.555 ' HD2' ' HB ' ' C' ' 84' ' ' THR . 54.1 Cg_exo -55.63 -19.44 23.84 Favored 'Trans proline' 0 CA--C 1.533 0.446 0 C-N-CA 122.635 2.223 . . . . 14.91 112.932 179.308 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -87.37 -44.32 11.46 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.145 0.424 . . . . 15.11 112.145 -179.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 87' ' ' ASN . . . . . . . . . . . . . 29.1 p-10 -111.98 46.74 1.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.14 0.495 . . . . 12.35 112.135 -178.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.66 6.14 13.58 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.035 0.445 . . . . 10.32 111.318 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 89' ' ' THR . . . . . 0.569 ' HA ' ' HB ' ' C' ' 23' ' ' THR . 6.3 m -101.33 123.45 45.45 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.121 -0.491 . . . . 9.82 111.249 -179.413 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 90' ' ' ILE . . . . . . . . . . . . . 45.8 mm -95.83 132.06 40.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.377 -0.601 . . . . 6.59 109.377 179.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 91' ' ' THR . . . . . 0.616 HG21 HG21 ' B' ' 49' ' ' VAL . 4.6 m -77.83 115.11 17.33 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.281 -0.418 . . . . 8.75 110.685 -179.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 92' ' ' VAL . . . . . . . . . . . . . 38.8 t -99.46 109.02 23.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.29 -0.414 . . . . 9.58 111.231 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 93' ' ' MET . . . . . 0.504 ' SD ' HD11 ' C' ' 27' ' ' ILE . 21.4 mmm -106.49 122.58 46.58 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.322 -0.622 . . . . 10.9 109.322 178.684 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 94' ' ' ILE . . . . . 0.538 ' HA ' ' O ' ' C' ' 62' ' ' GLU . 84.7 mt -120.41 118.45 56.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 120.83 0.348 . . . . 13.44 110.799 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 95' ' ' LYS . . . . . 0.477 ' HG3' ' OD2' ' A' ' 52' ' ' ASP . 3.4 mmtp -151.0 142.71 15.63 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.111 -0.495 . . . . 14.6 110.856 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 96' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' C' ' 95' ' ' LYS . 5.3 Cg_exo -75.73 59.46 5.67 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 123.152 2.568 . . . . 17.56 112.279 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 10.5 t30 72.23 -82.24 0.0 OUTLIER Pre-proline 0 C--O 1.247 0.936 0 CA-C-O 118.293 -0.861 . . . . 18.17 112.205 179.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 98' ' ' PRO . . . . . 0.873 ' N ' HH22 ' A' ' 62' ' ' ARG . . . . . . . . 1 C--N 1.249 -4.699 0 O-C-N 122.615 0.797 . . . . 15.75 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.482 1.156 0 CA-C-O 120.637 0.256 . . . . 10.47 110.571 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 49.0 mtt -74.93 -69.57 0.46 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.012 0.434 . . . . 11.61 110.052 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.0 m -145.19 18.36 1.57 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.075 -0.511 . . . . 10.77 110.45 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 59.64 38.56 21.97 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.552 0.691 . . . . 8.07 109.472 -178.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.4 m -61.93 157.13 19.2 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 114.603 -1.18 . . . . 10.11 111.179 -179.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.7 mtmm -55.88 -42.0 75.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.463 -0.335 . . . . 10.66 111.271 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -65.26 -36.22 83.44 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.261 -0.427 . . . . 11.43 111.531 179.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -59.97 -44.53 94.4 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-O 121.385 0.612 . . . . 8.91 110.017 179.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.4 ' O ' HG13 ' A' ' 26' ' ' ILE . 49.7 mt -76.92 -45.24 31.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.326 -0.852 . . . . 6.35 111.4 -179.336 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.72 -46.52 77.71 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.409 -0.359 . . . . 7.12 111.946 -179.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.72 -39.94 86.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.432 -0.349 . . . . 7.6 111.121 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.532 ' HB3' ' HB2' ' A' ' 79' ' ' LEU . 92.1 mt -69.07 -37.35 78.45 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.329 -0.396 . . . . 5.59 111.451 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 22' ' ' ILE . 92.9 mt -65.23 -54.56 27.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 CA-C-N 116.245 -0.434 . . . . 4.33 111.452 -179.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 20.8 m -64.43 -35.25 73.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.549 -0.296 . . . . 6.96 111.726 -179.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -66.02 -38.85 89.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.087 0.47 . . . . 7.34 110.068 179.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -62.52 -48.36 79.89 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.775 -0.648 . . . . 5.51 110.32 179.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -64.0 -38.06 89.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 6.35 110.878 179.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 49.3 m -64.18 -35.43 80.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 8.01 110.709 178.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.4 m -70.25 -31.7 69.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.122 0.487 . . . . 8.27 110.11 179.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.64 HG23 ' HB2' ' A' ' 38' ' ' GLU . 96.3 mt -65.35 -49.32 79.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.716 -0.674 . . . . 8.37 110.725 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 30.7 m -75.54 -20.05 15.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.581 -0.281 . . . . 9.63 111.577 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -63.8 -54.92 27.54 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.046 -0.525 . . . . 10.98 111.403 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.1 pttp -95.9 14.93 21.85 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.166 0.432 . . . . 11.09 112.166 -179.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.1 tttm 56.48 60.14 3.27 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.668 -0.696 . . . . 11.72 112.242 179.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.64 ' HB2' HG23 ' A' ' 33' ' ' ILE . 57.9 mm-40 -82.51 -24.97 33.85 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.017 -0.538 . . . . 9.58 110.971 179.396 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 15.3 tt -119.91 160.71 20.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.017 -0.538 . . . . 9.5 110.662 -179.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -74.18 163.31 28.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.718 -0.219 . . . . 9.96 110.661 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.425 ' CD ' ' H ' ' A' ' 41' ' ' GLU . 9.5 mp0 -55.86 -34.8 65.79 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.903 0.382 . . . . 11.9 111.239 -179.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -55.74 -37.96 69.16 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.618 -0.719 . . . . 10.3 111.174 179.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -88.51 -27.35 25.09 Favored Glycine 0 N--CA 1.447 -0.581 0 CA-C-N 115.783 -0.644 . . . . 8.47 111.618 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.48 -49.43 76.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.626 0.25 . . . . 8.42 111.268 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -62.65 -32.74 73.84 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.279 0.561 . . . . 9.73 110.484 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 13.3 m -68.27 -42.94 78.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.517 -0.765 . . . . 7.86 110.125 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 94.0 mt -69.9 -32.76 71.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.391 -0.368 . . . . 6.77 110.315 179.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 36.7 t30 -56.3 -50.07 72.46 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.61 -0.723 . . . . 9.39 111.154 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.435 ' HB ' ' HD3' ' C' ' 64' ' ' LYS . 6.6 p -75.46 -39.47 40.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.438 -0.346 . . . . 9.6 111.47 179.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.22 -47.32 86.64 Favored 'General case' 0 C--N 1.333 -0.123 0 N-CA-C 112.035 0.383 . . . . 7.62 112.035 -179.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 13.8 mtm -59.62 -36.67 76.79 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.956 0.354 . . . . 8.19 111.956 -179.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.15 -45.02 93.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.933 0.397 . . . . 11.12 110.406 179.433 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.63 ' HB3' ' HB3' ' B' ' 46' ' ' SER . 57.0 m -67.7 -32.51 73.2 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.015 -0.539 . . . . 9.77 111.077 179.342 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 96.6 mt -70.78 -39.06 75.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 121.194 0.521 . . . . 9.06 109.74 178.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.494 ' HB3' ' O ' ' A' ' 60' ' ' PHE . 25.2 m -62.95 -46.0 89.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.722 -0.672 . . . . 10.96 111.366 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -70.12 -24.32 63.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.936 0.398 . . . . 12.89 111.986 -179.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.3 -33.63 71.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 11.68 111.352 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.403 ' HB2' ' CE1' ' A' ' 60' ' ' PHE . 72.6 m-85 -94.77 -24.0 17.28 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.327 -0.397 . . . . 11.93 111.792 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 96.32 45.6 2.75 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.667 -0.778 . . . . 13.13 113.228 179.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.494 ' O ' ' HB3' ' A' ' 55' ' ' SER . 30.0 p90 -149.97 159.88 44.05 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.839 -0.43 . . . . 12.01 109.839 179.3 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -97.55 144.57 27.1 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.812 0.339 . . . . 14.85 110.724 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 22.6 ttp180 -60.66 -28.96 68.99 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.243 0.544 . . . . 11.66 110.32 179.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -82.53 1.04 39.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.031 -0.531 . . . . 13.0 111.452 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -111.75 11.17 20.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.851 0.358 . . . . 12.82 111.487 -179.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.4 p -59.99 -40.7 83.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.46 -0.336 . . . . 10.88 111.139 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.1 -32.39 73.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.314 -0.403 . . . . 12.04 110.879 179.519 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -71.33 -42.01 57.85 Favored Glycine 0 N--CA 1.448 -0.526 0 N-CA-C 111.53 -0.628 . . . . 12.77 111.53 179.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 59.1 mt -65.53 -41.91 91.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.015 0.436 . . . . 11.54 110.336 179.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 97.3 mt -67.1 -27.79 67.64 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.109 -0.496 . . . . 10.42 111.172 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -73.12 -26.59 70.37 Favored Glycine 0 C--N 1.33 0.234 0 C-N-CA 121.096 -0.573 . . . . 12.46 112.711 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -95.75 -16.23 22.07 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.081 0.467 . . . . 14.12 110.855 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.0 m -96.32 163.66 12.98 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.134 -0.484 . . . . 10.83 110.605 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -87.6 51.69 2.29 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.07 0.462 . . . . 10.68 110.611 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -133.32 35.94 3.43 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.798 -0.637 . . . . 8.37 109.605 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.428 ' H ' ' HG2' ' A' ' 75' ' ' LYS . 1.4 mmmm -57.84 107.38 0.45 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.306 -0.861 . . . . 12.83 112.055 -179.125 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 71.82 16.82 76.44 Favored Glycine 0 N--CA 1.453 -0.2 0 CA-C-N 115.703 -0.681 . . . . 9.82 113.406 179.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.447 ' HB3' HD11 ' A' ' 82' ' ' ILE . 26.7 mm-40 -104.15 144.5 31.49 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 122.687 -0.302 . . . . 8.93 110.679 -179.43 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 4.2 m80 -119.92 153.41 35.94 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.938 -0.393 . . . . 8.72 109.938 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.532 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 47.6 tp -53.13 -38.42 62.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.969 -0.56 . . . . 4.7 112.08 -179.623 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.87 -58.89 6.2 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.275 0.472 . . . . 5.96 112.275 -179.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -62.12 -38.83 90.43 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.424 0.527 . . . . 7.82 112.424 -179.328 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.447 HD11 ' HB3' ' A' ' 77' ' ' GLN . 96.6 mt -62.88 -50.25 80.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.519 0.199 . . . . 5.79 110.89 179.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 16.1 tp -63.28 -36.92 85.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.114 0.483 . . . . 5.97 110.728 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -67.35 -25.02 65.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.76 -0.654 . . . . 9.2 111.043 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.9 m -93.48 3.48 55.49 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.923 0.392 . . . . 7.98 111.467 -179.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -105.99 85.26 2.18 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.085 0.469 . . . . 7.06 110.504 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.53 128.78 37.6 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.883 -0.599 . . . . 9.21 111.176 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -129.53 96.85 4.37 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.885 -0.598 . . . . 9.55 109.667 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 1.6 m -87.96 121.23 70.8 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 116.266 -0.425 . . . . 12.15 111.394 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -76.91 109.59 2.88 Favored 'Trans proline' 0 N--CA 1.461 -0.427 0 C-N-CA 122.767 2.312 . . . . 12.82 111.97 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -94.6 93.03 7.34 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.117 -0.492 . . . . 14.19 110.228 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.656 -0.688 . . . . 15.67 110.554 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 59.6 ttp . . . . . 0 N--CA 1.482 1.16 0 N-CA-C 111.579 0.215 . . . . 11.23 111.579 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 23.4 mmt -75.52 82.07 2.55 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.728 -0.471 . . . . 13.11 109.728 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 72.3 m 67.56 99.18 0.05 Allowed 'General case' 0 C--N 1.332 -0.177 0 O-C-N 123.808 0.693 . . . . 11.45 110.219 -178.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.99 95.81 0.01 OUTLIER 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.81 -0.632 . . . . 8.27 111.938 -179.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 14.4 m -96.14 160.32 14.5 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.412 -0.813 . . . . 9.28 109.989 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -53.72 -41.64 67.23 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.197 0.444 . . . . 8.44 112.197 -179.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -61.37 -44.89 96.4 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 111.844 0.313 . . . . 9.58 111.844 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.684 ' HB3' ' HE2' ' B' ' 74' ' ' PHE . 16.7 mt-10 -62.74 -42.53 99.71 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 120.92 0.39 . . . . 8.61 110.779 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 46.3 mt -70.15 -46.37 72.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.977 -0.556 . . . . 4.87 111.138 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.38 -42.48 77.93 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.189 -0.459 . . . . 4.42 111.673 -179.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.2 -40.38 81.43 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.119 -0.491 . . . . 5.79 110.983 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 80.4 mt -73.38 -36.92 66.13 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.195 -0.457 . . . . 4.52 111.135 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 90.6 mt -62.82 -51.8 67.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.419 -0.355 . . . . 4.37 110.802 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 29.3 m -66.91 -33.05 60.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.78 0.324 . . . . 6.25 111.072 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -66.5 -44.0 83.78 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.27 -0.423 . . . . 6.91 110.163 179.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' TYR . . . . . 0.464 ' O ' HG13 ' B' ' 33' ' ' ILE . 39.7 t80 -57.0 -49.74 74.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.707 -0.679 . . . . 7.07 110.591 179.49 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -61.21 -40.04 92.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.239 -0.437 . . . . 8.36 110.803 179.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 39.0 m -64.15 -43.55 94.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.034 -0.53 . . . . 9.5 110.548 179.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . 0.521 ' HA ' ' HG2' ' B' ' 35' ' ' GLU . 48.8 m -66.01 -19.68 65.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.352 -0.385 . . . . 9.77 111.351 179.407 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.607 HG23 ' HB3' ' B' ' 38' ' ' GLU . 79.6 mt -81.95 -48.43 18.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.312 -0.404 . . . . 11.09 110.036 178.776 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 34.7 m -74.44 -33.76 34.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 113.043 0.757 . . . . 12.38 113.043 -178.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.521 ' HG2' ' HA ' ' B' ' 32' ' ' SER . 9.5 pt-20 -65.4 -28.5 69.3 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 112.284 0.476 . . . . 13.19 112.284 -179.131 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . 0.41 ' HE2' ' HB2' ' B' ' 38' ' ' GLU . 24.3 pttm -103.43 7.95 37.98 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.951 0.405 . . . . 13.7 110.493 179.183 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 53.37 47.42 24.22 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.542 -0.754 . . . . 15.86 112.658 179.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . 0.607 ' HB3' HG23 ' B' ' 33' ' ' ILE . 82.2 tt0 -70.96 -48.99 50.28 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.938 -0.574 . . . . 12.56 109.84 179.503 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 18.2 tt -98.83 153.51 4.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.091 -0.504 . . . . 13.67 109.827 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.28 153.48 43.57 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.689 -0.232 . . . . 15.14 110.598 179.741 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . 0.408 ' HA ' ' HB3' ' B' ' 44' ' ' ALA . 38.6 mp0 -55.23 -30.95 61.04 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 122.874 0.47 . . . . 16.66 112.127 -179.564 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -58.92 -41.28 86.93 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.807 0.337 . . . . 15.52 110.618 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -92.07 -29.09 11.98 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.959 -0.639 . . . . 13.17 112.149 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . 0.408 ' HB3' ' HA ' ' B' ' 41' ' ' GLU . . . -62.47 -33.14 74.26 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.757 0.313 . . . . 12.42 110.623 179.74 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.39 -47.95 83.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.743 -0.662 . . . . 13.38 110.144 179.318 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . 0.63 ' HB3' ' HB3' ' A' ' 53' ' ' CYS . 1.6 m -63.37 -39.96 95.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.682 -0.69 . . . . 11.72 110.802 179.701 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 89.8 mt -65.45 -37.12 85.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.887 0.375 . . . . 9.64 110.875 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -64.61 -48.57 74.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.975 -0.557 . . . . 11.12 111.426 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 27.3 m -69.16 -36.76 74.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 112.031 0.382 . . . . 10.04 112.031 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.44 -34.61 78.33 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.51 -0.552 . . . . 8.26 109.51 178.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 32.9 ttm -62.34 -35.95 80.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.366 -0.834 . . . . 7.93 110.002 178.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -64.07 -44.34 92.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.828 -0.624 . . . . 9.48 110.16 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 74.0 m -58.45 -43.67 88.91 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.773 -0.648 . . . . 8.11 110.628 179.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 88.6 mt -62.31 -46.43 96.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.888 -0.597 . . . . 6.13 110.056 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . 0.575 ' HA ' ' CE1' ' B' ' 60' ' ' PHE . 13.7 m -62.14 -45.99 91.0 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.704 -0.68 . . . . 7.39 111.536 -179.784 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -66.62 -41.34 88.5 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.373 -0.376 . . . . 8.81 111.919 -179.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.13 -35.96 82.48 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.56 0.578 . . . . 7.38 112.56 -179.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -88.36 -17.49 30.46 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.19 0.441 . . . . 8.09 112.19 -179.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.47 53.59 3.04 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.877 -0.677 . . . . 9.43 113.561 179.061 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . 0.575 ' CE1' ' HA ' ' B' ' 55' ' ' SER . 14.8 p90 -160.14 164.29 33.07 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 110.026 -0.361 . . . . 8.7 110.026 179.273 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . 0.457 ' OE1' ' HD3' ' B' ' 62' ' ' ARG . 2.7 mm-40 -120.2 168.02 11.66 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.612 0.244 . . . . 11.16 110.893 179.207 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . 0.457 ' HD3' ' OE1' ' B' ' 61' ' ' GLU . 0.6 OUTLIER -62.54 -32.37 73.31 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.016 -0.538 . . . . 10.74 111.911 -179.078 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.5 ' HA ' ' OE1' ' B' ' 63' ' ' GLU . 3.0 tp10 -72.13 -9.19 58.09 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.858 0.361 . . . . 11.8 111.898 -179.23 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -95.47 -10.03 30.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.367 -0.378 . . . . 10.53 111.385 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 5.5 p -60.27 -37.14 72.68 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 N-CA-C 112.181 0.437 . . . . 9.11 112.181 -178.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.21 -34.53 77.85 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.027 0.441 . . . . 10.71 110.876 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -82.02 -36.1 19.43 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.813 -0.708 . . . . 11.05 111.82 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 98.1 mt -65.76 -47.14 86.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 110.315 -0.254 . . . . 9.74 110.315 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 75.6 mt -60.54 -26.9 67.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.34 -0.391 . . . . 9.17 111.207 179.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -74.33 -41.2 38.51 Favored Glycine 0 N--CA 1.45 -0.429 0 N-CA-C 111.33 -0.708 . . . . 11.56 111.33 179.149 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 55.6 mttp -73.94 -45.72 48.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.098 0.475 . . . . 12.46 110.276 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 25.1 m -70.94 158.35 36.61 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.365 -0.834 . . . . 9.82 110.329 179.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -89.6 51.99 2.23 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.237 0.541 . . . . 10.24 111.524 -179.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.684 ' HE2' ' HB3' ' B' ' 21' ' ' GLU . 44.4 m-85 -134.0 15.07 3.9 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.646 -0.707 . . . . 7.68 109.865 179.37 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 6.5 pttm -65.99 128.0 34.31 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.327 -0.851 . . . . 11.56 111.046 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 85.03 8.15 82.62 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.869 -0.681 . . . . 8.65 111.567 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -132.18 150.6 52.12 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.734 0.302 . . . . 7.58 110.255 -179.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 26.5 m80 -116.02 165.01 13.6 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.953 -0.758 . . . . 7.9 108.953 178.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 45.7 tp -55.16 -42.12 72.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.986 0.422 . . . . 4.14 111.857 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.82 -40.23 96.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 5.79 111.737 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -60.59 -52.41 65.26 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.001 0.429 . . . . 6.75 111.118 -179.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 19.7 mt -60.34 -44.56 96.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.613 -0.721 . . . . 4.76 111.459 -179.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 86.1 mt -71.13 -18.26 62.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.363 -0.38 . . . . 5.48 111.656 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -77.51 -45.68 24.75 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.429 -0.582 . . . . 7.63 109.429 178.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.25 -28.09 67.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.847 -0.615 . . . . 6.84 110.884 179.18 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -73.4 90.32 1.68 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.112 -0.495 . . . . 6.55 110.643 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 1.4 m -112.99 54.23 0.73 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.924 -0.58 . . . . 8.4 110.859 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 33.4 ttt180 -76.24 134.72 39.75 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.255 -0.646 . . . . 10.35 109.255 179.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 4.9 t -96.34 109.75 49.1 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 116.577 -0.283 . . . . 11.96 110.969 -179.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -75.2 132.2 14.9 Favored 'Trans proline' 0 C--O 1.236 0.411 0 C-N-CA 122.611 2.207 . . . . 13.1 111.423 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -85.06 126.66 33.76 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.977 0.418 . . . . 14.34 110.865 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 7.1 m . . . . . 0 C--O 1.251 1.175 0 CA-C-O 118.233 -0.889 . . . . 16.55 109.376 179.328 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 20' ' ' VAL . . . . . 0.471 HG12 ' HG ' ' C' ' 22' ' ' LEU . 17.8 t . . . . . 0 C--O 1.233 0.219 0 CA-C-O 121.014 0.435 . . . . 9.95 110.702 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 21' ' ' HIS . . . . . . . . . . . . . 40.6 t60 -80.51 105.53 11.83 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.791 -0.64 . . . . 9.34 110.118 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 22' ' ' LEU . . . . . 0.471 ' HG ' HG12 ' C' ' 20' ' ' VAL . 86.8 mt -114.88 146.98 40.53 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.955 0.407 . . . . 6.88 111.893 -179.409 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 23' ' ' THR . . . . . 0.465 HG23 ' HG2' ' C' ' 35' ' ' GLU . 3.2 m -107.98 116.11 31.36 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.367 -0.833 . . . . 8.91 109.303 178.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 24' ' ' LEU . . . . . . . . . . . . . 35.5 mt -99.97 115.95 30.89 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.688 0.28 . . . . 8.66 110.601 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 25' ' ' LYS . . . . . 0.617 ' HA ' ' O ' ' C' ' 32' ' ' PHE . 6.7 tttt -130.34 132.53 45.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.326 -0.397 . . . . 13.38 112.052 -179.707 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 26' ' ' LYS . . . . . 0.418 ' HA ' ' O ' ' C' ' 92' ' ' VAL . 24.9 ttpp -91.79 138.49 31.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 14.09 110.018 178.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 27' ' ' ILE . . . . . 0.486 HD11 ' HG2' ' C' ' 93' ' ' MET . 12.1 pt -78.03 -42.35 27.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 113.078 0.77 . . . . 14.88 113.078 -179.032 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 19.3 mp0 -83.21 137.82 33.88 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.994 -0.283 . . . . 15.23 111.395 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . 0.463 ' HA ' ' C ' ' C' ' 30' ' ' PRO . . . -66.65 145.44 98.94 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.044 -0.526 . . . . 18.5 111.342 179.656 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 30' ' ' PRO . . . . . 0.463 ' C ' ' HA ' ' C' ' 29' ' ' ALA . 51.6 Cg_endo -70.82 137.3 45.56 Favored 'Cis proline' 0 C--N 1.347 0.449 0 C-N-CA 123.254 -1.561 . . . . 17.48 111.563 0.301 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 24.3 mttm -91.02 148.66 22.24 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.157 -0.474 . . . . 17.53 110.184 -179.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 32' ' ' PHE . . . . . 0.617 ' O ' ' HA ' ' C' ' 25' ' ' LYS . 43.3 p90 -147.31 150.16 34.23 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.685 -0.487 . . . . 13.5 109.685 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 33' ' ' SER . . . . . . . . . . . . . 42.5 m -133.38 90.29 2.71 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 120.931 0.396 . . . . 12.36 110.123 179.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 42.4 pt -103.71 144.24 14.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.192 -0.458 . . . . 10.72 110.446 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 35' ' ' GLU . . . . . 0.465 ' HG2' HG23 ' C' ' 23' ' ' THR . 26.3 mt-10 -119.91 156.42 30.79 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.634 0.254 . . . . 10.54 110.99 -179.436 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 36' ' ' HIS . . . . . . . . . . . . . 26.1 t60 -165.8 145.63 6.45 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.086 -0.506 . . . . 9.85 110.169 178.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -96.46 114.62 26.3 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.282 -0.417 . . . . 9.77 110.219 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 38' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -107.07 -173.95 2.42 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.397 -0.365 . . . . 9.82 110.973 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -110.31 150.2 41.24 Favored Pre-proline 0 C--N 1.328 -0.352 0 N-CA-C 109.837 -0.431 . . . . 11.97 109.837 179.699 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -65.61 -17.44 56.94 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 122.38 2.053 . . . . 12.89 112.213 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.91 -8.49 59.68 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.959 -0.564 . . . . 14.42 110.853 179.647 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -84.34 157.1 21.59 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.939 -0.573 . . . . 11.77 109.976 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 32.8 p -111.8 173.92 6.12 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.222 -0.445 . . . . 11.4 110.108 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 44' ' ' ILE . . . . . 0.721 HD11 HD21 ' C' ' 81' ' ' LEU . 46.3 mm -58.74 -27.08 33.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.176 0.512 . . . . 7.86 110.38 179.181 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 45' ' ' LEU . . . . . 0.784 ' HG ' ' HB3' ' C' ' 74' ' ' ASP . 0.7 OUTLIER -60.14 -37.16 79.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.865 -0.607 . . . . 12.88 110.635 179.239 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 46' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -65.08 -36.74 85.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.011 0.434 . . . . 12.18 110.534 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 61.1 mt -65.92 -43.53 92.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.94 -0.573 . . . . 8.04 109.536 179.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -61.98 -43.95 97.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.946 -0.57 . . . . 10.51 109.953 178.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -60.94 -41.46 96.32 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.874 -0.603 . . . . 13.94 109.841 178.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 50' ' ' HIS . . . . . 0.48 ' O ' ' HG2' ' C' ' 54' ' ' GLU . 77.3 t60 -60.43 -42.21 95.61 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.734 -0.666 . . . . 11.16 110.491 179.375 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 43.9 mt -62.31 -35.52 79.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 12.37 110.768 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 52' ' ' ILE . . . . . . . . . . . . . 81.5 mt -70.1 -42.62 79.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.176 -0.465 . . . . 15.35 110.566 179.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 1.6 p -67.19 -24.45 65.86 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.89 0.376 . . . . 15.02 111.228 179.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 54' ' ' GLU . . . . . 0.48 ' HG2' ' O ' ' C' ' 50' ' ' HIS . 17.6 mm-40 -87.74 8.8 23.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.304 -0.407 . . . . 14.38 110.393 179.14 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 59.14 39.87 22.51 Favored 'General case' 0 C--N 1.334 -0.085 0 CA-C-N 115.781 -0.645 . . . . 18.85 112.079 179.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 27.9 mmtm -108.1 -15.72 14.44 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.905 -0.589 . . . . 14.47 110.538 179.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -151.77 174.77 13.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.06 -0.518 . . . . 15.28 109.828 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 58' ' ' SER . . . . . . . . . . . . . 74.1 m -120.86 -55.01 2.01 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.303 0.483 . . . . 17.75 112.303 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 59' ' ' HIS . . . . . 0.496 ' HB2' ' HG3' ' C' ' 62' ' ' GLU . 90.9 m-70 -107.8 158.93 16.9 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.941 0.4 . . . . 19.22 111.604 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 31.8 mm -70.85 -40.41 76.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.78 -0.645 . . . . 13.8 111.667 -179.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 1.5 m -69.45 -18.07 63.69 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.671 0.619 . . . . 14.67 112.671 -178.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 62' ' ' GLU . . . . . 0.496 ' HG3' ' HB2' ' C' ' 59' ' ' HIS . 55.3 mt-10 -75.35 -25.19 57.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.859 0.362 . . . . 16.71 110.856 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 63' ' ' ILE . . . . . . . . . . . . . 5.8 mt -96.32 118.29 42.35 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 CA-C-N 115.765 -0.652 . . . . 10.79 112.171 -178.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 64' ' ' LYS . . . . . 0.435 ' HD3' ' HB ' ' A' ' 49' ' ' VAL . 64.1 tttt -120.35 106.55 11.97 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.164 -1.05 . . . . 9.73 108.164 177.315 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 65' ' ' LEU . . . . . 0.666 HD12 HG23 ' C' ' 44' ' ' ILE . 76.7 mt -85.51 147.03 26.64 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.38 -0.373 . . . . 5.89 111.761 -178.365 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 66' ' ' LEU . . . . . 0.554 ' HB2' ' HB ' ' C' ' 91' ' ' THR . 4.3 mp -136.46 144.58 44.46 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.043 -0.526 . . . . 7.57 110.252 179.558 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 67' ' ' LEU . . . . . 0.548 ' HB3' HD21 ' C' ' 72' ' ' LEU . 66.8 tp -141.28 113.79 8.21 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.427 -0.351 . . . . 7.44 110.182 179.197 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 68' ' ' LYS . . . . . 0.402 ' HB3' ' HE3' ' C' ' 68' ' ' LYS . 0.1 OUTLIER 57.3 38.63 28.65 Favored 'General case' 0 N--CA 1.465 0.283 0 O-C-N 123.646 0.591 . . . . 12.88 111.247 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 87.81 -24.9 9.37 Favored Glycine 0 N--CA 1.449 -0.469 0 CA-C-N 115.84 -0.618 . . . . 8.93 113.027 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 70' ' ' LYS . . . . . 0.436 ' HE3' ' HA ' ' C' ' 70' ' ' LYS . 0.1 OUTLIER -82.96 119.3 24.26 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.813 0.339 . . . . 9.44 111.149 -179.576 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 71' ' ' VAL . . . . . . . . . . . . . 44.2 t -67.75 130.04 32.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.042 -0.526 . . . . 7.05 109.947 178.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 72' ' ' LEU . . . . . 0.548 HD21 ' HB3' ' C' ' 67' ' ' LEU . 46.9 mt -91.05 126.02 36.02 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.069 -0.514 . . . . 5.9 110.14 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 73' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -101.99 157.29 16.97 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.034 -0.53 . . . . 8.93 111.145 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 74' ' ' ASP . . . . . 0.784 ' HB3' ' HG ' ' C' ' 45' ' ' LEU . 0.9 OUTLIER -56.55 -31.75 64.48 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.009 -0.541 . . . . 9.91 112.269 -178.917 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 75' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -85.96 30.83 0.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.493 0.553 . . . . 13.36 112.493 -178.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 76' ' ' LEU . . . . . . . . . . . . . 20.6 tp -119.98 134.84 55.12 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.812 -0.44 . . . . 9.58 109.812 179.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -85.72 154.81 21.38 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.231 -0.44 . . . . 14.32 110.521 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 78' ' ' LEU . . . . . 0.433 ' HA ' ' HG ' ' C' ' 81' ' ' LEU . 14.8 mt -65.32 -25.45 67.62 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.079 0.4 . . . . 9.53 112.079 -179.058 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 79' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.73 -17.54 63.46 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.996 0.427 . . . . 12.75 111.2 179.527 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 80' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -87.78 -12.18 45.87 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 116.13 -0.486 . . . . 12.44 110.83 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 81' ' ' LEU . . . . . 0.721 HD21 HD11 ' C' ' 44' ' ' ILE . 63.9 mt -69.53 126.33 29.43 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.075 -0.511 . . . . 10.15 110.868 -179.611 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 82' ' ' LYS . . . . . . . . . . . . . 67.9 mmtt -81.97 66.43 7.54 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.111 -0.495 . . . . 12.59 109.871 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 7.6 m -101.78 124.95 55.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 121.454 0.645 . . . . 11.5 111.874 -179.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 84' ' ' THR . . . . . 0.493 ' HB ' ' HD2' ' C' ' 85' ' ' PRO . 71.2 p -119.48 173.29 3.64 Favored Pre-proline 0 C--N 1.319 -0.728 0 N-CA-C 108.478 -0.934 . . . . 13.96 108.478 179.661 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 85' ' ' PRO . . . . . 0.493 ' HD2' ' HB ' ' C' ' 84' ' ' THR . 51.5 Cg_exo -58.32 -22.79 59.64 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 121.981 1.787 . . . . 14.91 110.751 178.291 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -85.49 -57.22 3.15 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 115.534 -0.757 . . . . 15.11 110.933 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 87' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -109.38 86.03 2.21 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.582 0.586 . . . . 12.35 112.582 -179.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 88' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -115.25 9.49 15.76 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.45 0.643 . . . . 10.32 110.275 178.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 89' ' ' THR . . . . . 0.426 ' HA ' ' HB ' ' C' ' 23' ' ' THR . 3.6 m -93.29 132.72 37.23 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.594 -0.73 . . . . 9.82 111.264 -179.313 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 90' ' ' ILE . . . . . 0.515 HD13 HD13 ' C' ' 67' ' ' LEU . 39.5 mm -104.48 132.66 50.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 109.301 -0.629 . . . . 6.59 109.301 179.608 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 91' ' ' THR . . . . . 0.554 ' HB ' ' HB2' ' C' ' 66' ' ' LEU . 18.9 m -78.6 117.77 20.08 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.502 -0.317 . . . . 8.75 110.56 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 92' ' ' VAL . . . . . 0.418 ' O ' ' HA ' ' C' ' 26' ' ' LYS . 52.7 t -101.19 104.69 16.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.241 -0.436 . . . . 9.58 110.674 179.629 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 93' ' ' MET . . . . . 0.486 ' HG2' HD11 ' C' ' 27' ' ' ILE . 4.8 tmm? -107.0 118.04 35.64 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.734 -0.839 . . . . 10.9 108.734 178.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 94' ' ' ILE . . . . . 0.412 ' HA ' ' O ' ' C' ' 62' ' ' GLU . 76.8 mt -118.79 126.99 75.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.874 0.368 . . . . 13.44 111.34 -179.297 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 95' ' ' LYS . . . . . . . . . . . . . 21.6 mmtp -135.75 129.47 18.34 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 115.916 -0.584 . . . . 14.6 109.705 179.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 96' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -64.78 142.94 78.53 Favored 'Trans proline' 0 C--O 1.235 0.344 0 C-N-CA 122.323 2.016 . . . . 17.56 111.732 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 4.8 t30 72.42 -85.25 0.0 OUTLIER Pre-proline 0 C--O 1.243 0.756 0 CA-C-O 118.398 -0.811 . . . . 18.17 111.177 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 98' ' ' PRO . . . . . . . . . . . . . . . . . . . . 1 C--N 1.251 -4.594 0 O-C-N 122.732 0.859 . . . . 15.75 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.741 ' N ' ' HG ' ' B' ' 87' ' ' SER . 48.4 ttm . . . . . 0 N--CA 1.479 1.009 0 CA-C-O 120.623 0.249 . . . . 10.47 111.56 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 24.8 mmt -79.25 -62.63 1.64 Allowed 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 121.008 -0.277 . . . . 11.61 111.023 -179.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.8 m -150.85 -35.37 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 111.962 0.356 . . . . 10.77 111.962 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 56.93 64.49 1.63 Allowed 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.304 0.573 . . . . 8.07 110.318 -179.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 m -64.55 169.98 4.39 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.321 -0.854 . . . . 10.11 112.575 -178.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 39.0 mmtm -53.77 -46.88 71.1 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.706 -0.679 . . . . 10.66 111.96 -179.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.4 pm0 -67.12 -35.34 79.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.354 -0.385 . . . . 11.43 111.917 -179.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -65.11 -43.11 93.07 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.138 0.494 . . . . 8.91 110.325 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.619 HG12 HD23 ' B' ' 83' ' ' LEU . 63.9 mt -69.31 -43.99 80.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.834 -0.621 . . . . 6.35 109.966 179.042 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.455 ' HA ' HD12 ' A' ' 26' ' ' ILE . . . -61.47 -35.57 78.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.895 -0.593 . . . . 7.12 111.133 179.698 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.0 -41.6 92.43 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.877 -0.601 . . . . 7.6 110.451 179.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.629 HD12 HD21 ' B' ' 83' ' ' LEU . 25.3 mt -70.94 -32.6 69.56 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.298 -0.41 . . . . 5.59 111.05 179.572 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.455 HD12 ' HA ' ' A' ' 23' ' ' ALA . 91.4 mt -64.5 -52.18 58.46 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-N 116.069 -0.514 . . . . 4.33 110.111 179.537 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.2 m -67.09 -33.91 66.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.973 0.416 . . . . 6.96 110.715 179.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -63.94 -38.98 93.06 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.937 -0.574 . . . . 7.34 109.521 178.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.529 ' O ' HG13 ' A' ' 33' ' ' ILE . 37.0 t80 -62.34 -52.14 64.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.802 -0.636 . . . . 5.51 110.03 179.112 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -57.01 -42.92 81.2 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.092 -0.504 . . . . 6.35 110.728 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.503 ' O ' ' HG2' ' A' ' 35' ' ' GLU . 20.4 m -62.6 -44.21 96.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.944 -0.571 . . . . 8.01 110.821 179.656 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 17.3 m -63.01 -34.95 78.65 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.338 -0.392 . . . . 8.27 111.239 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.529 HG13 ' O ' ' A' ' 29' ' ' TYR . 84.2 mt -63.28 -46.42 95.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.498 -0.319 . . . . 8.37 110.66 179.506 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.419 HG22 ' O ' ' A' ' 31' ' ' SER . 5.3 m -72.09 -18.43 19.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 112.149 0.425 . . . . 9.63 112.149 -179.321 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.503 ' HG2' ' O ' ' A' ' 31' ' ' SER . 34.4 mm-40 -71.43 -35.95 71.11 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.109 0.481 . . . . 10.98 110.476 179.383 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.8 pttt -105.55 6.91 32.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.953 -0.567 . . . . 11.09 111.119 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 52.4 45.88 27.7 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 115.795 -0.639 . . . . 11.72 111.45 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -80.21 9.32 5.82 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.994 -0.548 . . . . 9.58 111.706 -179.39 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 9.5 tp -147.87 157.67 8.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.217 -0.66 . . . . 9.5 109.217 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.56 151.16 45.32 Favored 'General case' 0 N--CA 1.451 -0.405 0 O-C-N 123.117 0.26 . . . . 9.96 110.434 179.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -52.93 -42.52 65.49 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.435 -0.348 . . . . 11.9 111.55 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.59 -39.01 86.52 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.157 -0.474 . . . . 10.3 111.192 179.648 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.12 -43.0 49.54 Favored Glycine 0 N--CA 1.447 -0.584 0 N-CA-C 110.932 -0.867 . . . . 8.47 110.932 179.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.6 -37.16 80.48 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.115 0.483 . . . . 8.42 109.996 179.044 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.637 ' OD2' ' HA ' ' C' ' 70' ' ' LYS . 22.8 t70 -59.66 -48.73 80.53 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.327 -0.851 . . . . 9.73 109.92 178.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 50.8 m -65.92 -37.45 86.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.88 -0.6 . . . . 7.86 111.281 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 63.6 mt -65.38 -36.68 84.72 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.811 0.339 . . . . 6.77 111.003 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 -68.69 -43.6 75.73 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.053 -0.521 . . . . 9.39 111.811 -179.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.881 HG21 ' HA2' ' C' ' 69' ' ' GLY . 9.6 m -65.69 -36.71 78.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 120.895 0.378 . . . . 9.6 111.062 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.455 ' O ' HG13 ' A' ' 54' ' ' ILE . . . -70.59 -38.85 74.06 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.99 -0.55 . . . . 7.62 109.64 179.278 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 30.5 ttm -58.49 -43.03 88.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.506 -0.77 . . . . 8.19 110.403 179.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -61.54 -39.83 92.49 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.96 -0.564 . . . . 11.12 110.751 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 34.9 m -67.61 -32.55 73.35 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.122 -0.49 . . . . 9.77 111.425 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.455 HG13 ' O ' ' A' ' 50' ' ' ALA . 97.3 mt -62.87 -43.11 98.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 9.06 110.491 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.33 -45.01 88.92 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.858 -0.61 . . . . 10.96 111.053 179.682 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.424 ' H ' ' HG2' ' A' ' 56' ' ' GLU . 2.9 mm-40 -65.89 -36.66 84.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.912 -0.585 . . . . 12.89 111.108 -179.679 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.76 -49.86 69.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 11.68 112.222 -179.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.41 ' HB2' ' CD1' ' A' ' 60' ' ' PHE . 91.5 m-85 -81.21 -12.86 59.05 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.274 0.472 . . . . 11.93 112.274 -179.008 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 77.11 49.83 7.25 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.696 -0.764 . . . . 13.13 113.175 179.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.41 ' CD1' ' HB2' ' A' ' 58' ' ' PHE . 24.4 p90 -146.6 152.11 38.39 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.663 -0.495 . . . . 12.01 109.663 179.206 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -74.92 135.28 41.45 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.875 0.369 . . . . 14.85 110.982 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.413 ' HE ' ' HB3' ' A' ' 62' ' ' ARG . 10.4 ttp180 -58.64 -42.42 88.26 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.875 -0.602 . . . . 11.66 110.926 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 29.0 mp0 -81.38 3.92 22.64 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.042 -0.527 . . . . 13.0 111.746 -179.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -102.26 8.51 40.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.173 0.511 . . . . 12.82 110.606 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.3 p -58.99 -39.8 79.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.497 -0.774 . . . . 10.88 111.606 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -64.77 -36.93 85.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.817 0.342 . . . . 12.04 110.997 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -64.0 -42.17 98.32 Favored Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 111.642 -0.583 . . . . 12.77 111.642 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 60.4 mt -70.11 -52.52 29.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 110.046 -0.353 . . . . 11.54 110.046 179.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.437 ' O ' ' HB3' ' A' ' 75' ' ' LYS . 27.2 mt -57.0 -35.12 68.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 10.42 112.114 -179.61 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -58.66 -28.5 62.83 Favored Glycine 0 CA--C 1.519 0.331 0 C-N-CA 121.283 -0.484 . . . . 12.46 113.326 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -108.99 13.26 24.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.029 0.443 . . . . 14.12 110.812 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 46.6 m -103.57 166.43 10.43 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.096 -0.502 . . . . 10.83 110.71 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.432 ' H ' ' HG2' ' A' ' 73' ' ' GLU . 6.6 pt-20 -74.31 -21.92 59.5 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.152 -0.476 . . . . 10.68 110.876 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -93.62 34.64 1.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.994 -0.548 . . . . 8.37 111.34 -179.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.437 ' HB2' ' HE3' ' A' ' 75' ' ' LYS . 17.1 ptmt -79.12 135.37 36.82 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.345 -0.389 . . . . 12.83 111.258 -179.713 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 75.0 17.5 80.26 Favored Glycine 0 N--CA 1.449 -0.472 0 CA-C-N 115.752 -0.658 . . . . 9.82 112.465 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.414 ' HB2' HD11 ' A' ' 82' ' ' ILE . 26.7 mm-40 -125.07 170.59 11.03 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 110.147 -0.316 . . . . 8.93 110.147 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 24.8 m80 -130.61 154.34 47.96 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.028 -0.73 . . . . 8.72 109.028 179.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 20.4 tp -59.46 -27.93 66.53 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.963 0.411 . . . . 4.7 111.11 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.09 -59.43 3.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.082 -0.508 . . . . 5.96 111.905 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.81 -40.86 94.31 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 112.898 0.703 . . . . 7.82 112.898 -179.114 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.414 HD11 ' HB2' ' A' ' 77' ' ' GLN . 86.8 mt -61.25 -48.26 89.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 120.745 0.307 . . . . 5.79 111.344 179.647 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.9 mp -71.07 -27.77 63.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.284 -0.416 . . . . 5.97 111.738 -179.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -73.56 -33.02 64.47 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.154 0.502 . . . . 9.2 110.462 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.8 m -82.12 -10.79 59.06 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.921 -0.582 . . . . 7.98 110.918 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -77.66 93.61 4.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.911 -0.586 . . . . 7.06 110.411 179.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.504 ' HA ' ' SD ' ' B' ' 14' ' ' MET . 0.9 OUTLIER -69.77 113.71 7.28 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.68 -0.691 . . . . 9.21 111.006 -179.819 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -125.56 112.85 16.67 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.116 -0.493 . . . . 9.55 109.917 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 16.0 t -101.6 120.95 52.97 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 116.19 -0.459 . . . . 12.15 110.379 -179.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.566 ' HD3' ' HB3' ' B' ' 73' ' ' GLU . 46.8 Cg_endo -70.09 87.59 0.59 Allowed 'Trans proline' 0 C--O 1.234 0.318 0 C-N-CA 122.554 2.169 . . . . 12.82 111.968 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -80.41 73.26 7.3 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.924 -0.58 . . . . 14.19 110.725 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.252 1.194 0 CA-C-O 118.58 -0.724 . . . . 15.67 110.124 179.906 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' MET . . . . . 0.504 ' SD ' ' HA ' ' A' ' 87' ' ' SER . 34.6 ttp . . . . . 0 N--CA 1.484 1.234 0 CA-C-O 120.309 0.1 . . . . 11.23 110.938 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 22.7 mmt -61.79 94.03 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.549 -0.296 . . . . 13.11 110.388 179.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 15.2 m 61.35 75.61 0.4 Allowed 'General case' 0 C--O 1.232 0.142 0 O-C-N 123.653 0.596 . . . . 11.45 109.861 -178.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -41.66 100.34 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.406 0 O-C-N 123.984 0.803 . . . . 8.27 112.643 -179.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 1.3 m -84.77 166.53 16.88 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.175 -0.92 . . . . 9.28 111.2 -179.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 1.1 mppt? -59.05 -42.17 89.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.075 -0.512 . . . . 8.44 111.376 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 7.4 pm0 -65.55 -36.64 84.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.478 -0.328 . . . . 9.58 111.595 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -61.88 -49.54 75.82 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 120.997 0.427 . . . . 8.61 110.114 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 67.8 mt -68.55 -40.98 82.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.509 -0.769 . . . . 4.87 111.0 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.95 -41.96 88.69 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.266 -0.424 . . . . 4.42 111.126 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.4 -40.21 93.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.05 -0.523 . . . . 5.79 110.557 179.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 87.5 mt -70.04 -34.16 72.88 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.198 -0.455 . . . . 4.52 110.696 179.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 96.0 mt -64.63 -52.42 54.97 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 CA-C-N 116.031 -0.531 . . . . 4.37 110.58 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 16.9 m -66.35 -32.95 60.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.447 -0.342 . . . . 6.25 110.893 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -64.94 -40.97 95.85 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.413 -0.588 . . . . 6.91 109.413 178.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -61.44 -49.97 74.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.574 -0.739 . . . . 7.07 110.306 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -62.79 -40.5 97.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 8.36 110.919 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 50.4 m -62.98 -36.1 82.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.401 -0.363 . . . . 9.5 110.681 179.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . 0.525 ' HA ' ' HG2' ' B' ' 35' ' ' GLU . 44.7 m -69.84 -25.66 63.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 9.77 110.754 179.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.839 HG23 ' HB2' ' B' ' 38' ' ' GLU . 95.5 mt -78.99 -44.59 24.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.304 -0.407 . . . . 11.09 110.771 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 34.1 m -74.45 -31.31 27.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 113.229 0.826 . . . . 12.38 113.229 -178.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.525 ' HG2' ' HA ' ' B' ' 32' ' ' SER . 5.3 pt-20 -58.78 -39.73 81.92 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.448 0.536 . . . . 13.19 112.448 -179.384 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . 0.442 ' N ' ' HG3' ' B' ' 35' ' ' GLU . 14.2 pttm -111.1 19.16 18.69 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.9 0.381 . . . . 13.7 111.34 -179.659 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 78.0 tttt 43.7 70.35 0.32 Allowed 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 113.929 1.085 . . . . 15.86 113.929 179.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . 0.839 ' HB2' HG23 ' B' ' 33' ' ' ILE . 45.0 mt-10 -86.42 -10.11 54.94 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.298 0.57 . . . . 12.56 109.938 178.673 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . 0.419 HG23 ' HB2' ' B' ' 44' ' ' ALA . 20.1 tt -137.27 152.32 27.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.481 -0.781 . . . . 13.67 109.978 -179.395 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.41 163.8 20.06 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.649 -0.25 . . . . 15.14 111.309 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . 0.401 ' O ' ' HB3' ' B' ' 45' ' ' ASP . 49.7 mp0 -57.74 -29.66 64.95 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 116.501 -0.318 . . . . 16.66 111.779 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.36 -27.87 62.67 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.417 -0.356 . . . . 15.52 111.013 179.598 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -108.45 -39.53 1.76 Allowed Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.971 -0.633 . . . . 13.17 111.781 178.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . 0.419 ' HB2' HG23 ' B' ' 39' ' ' ILE . . . -60.82 -50.93 71.46 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.427 0.529 . . . . 12.42 112.427 -179.301 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . 0.401 ' HB3' ' O ' ' B' ' 41' ' ' GLU . 1.1 t70 -60.78 -30.97 70.36 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.445 0.641 . . . . 13.38 111.264 -179.464 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 1.5 m -73.82 -21.83 60.0 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.774 -0.648 . . . . 11.72 110.85 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 95.3 mt -80.47 -27.7 37.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.097 -0.502 . . . . 9.64 110.893 179.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -57.86 -43.95 86.26 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.161 -0.472 . . . . 11.12 111.004 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 13.6 p -79.43 -30.28 13.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.998 0.428 . . . . 10.04 110.717 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.19 -47.74 78.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.164 -0.471 . . . . 8.26 110.883 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 68.1 mtm -61.56 -36.17 79.86 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.14 -0.482 . . . . 7.93 110.774 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -60.54 -48.59 81.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.853 -0.612 . . . . 9.48 109.894 179.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 36.7 m -62.38 -39.82 94.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.58 -0.736 . . . . 8.11 110.97 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 97.8 mt -63.43 -39.49 85.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.3 -0.409 . . . . 6.13 110.458 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . 0.515 ' HA ' ' CE1' ' B' ' 60' ' ' PHE . 19.4 m -59.23 -48.14 82.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.847 -0.615 . . . . 7.39 111.194 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -73.56 -25.89 60.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.281 -0.418 . . . . 8.81 111.462 -179.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.1 -43.51 87.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.267 -0.424 . . . . 7.38 111.935 -179.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -91.66 -11.82 35.93 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.966 0.412 . . . . 8.09 111.415 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.09 51.39 5.05 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.776 -0.726 . . . . 9.43 112.808 179.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . 0.515 ' CE1' ' HA ' ' B' ' 55' ' ' SER . 36.9 p90 -139.54 147.33 41.06 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.83 0.348 . . . . 8.7 110.775 179.122 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -73.25 136.46 44.62 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.986 -0.552 . . . . 11.16 110.846 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 18.5 ttp180 -66.73 -27.77 67.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.204 0.526 . . . . 10.74 110.098 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -89.73 6.94 39.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.795 -0.639 . . . . 11.8 110.838 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -111.73 17.23 20.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.415 -0.357 . . . . 10.53 111.093 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 3.2 p -58.94 -46.45 91.44 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-N 116.247 -0.433 . . . . 9.11 111.844 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 1.2 m -69.25 -24.34 63.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.058 0.456 . . . . 10.71 110.603 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -69.0 -41.16 82.99 Favored Glycine 0 N--CA 1.446 -0.64 0 N-CA-C 111.332 -0.707 . . . . 11.05 111.332 179.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 56.1 mt -69.95 -45.17 77.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 109.766 -0.457 . . . . 9.74 109.766 179.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 96.9 mt -62.91 -31.18 72.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.948 -0.569 . . . . 9.17 110.627 179.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -77.66 -21.04 72.96 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.83 -0.7 . . . . 11.56 111.652 179.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 17.0 tttp -85.33 -59.88 2.19 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.792 0.33 . . . . 12.46 110.218 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 1.2 m -71.0 166.85 20.46 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.074 -0.512 . . . . 9.82 110.549 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.566 ' HB3' ' HD3' ' A' ' 90' ' ' PRO . 1.0 OUTLIER -80.65 44.61 0.73 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.019 0.438 . . . . 10.24 111.253 179.887 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -121.09 14.61 11.45 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.078 0.466 . . . . 7.68 110.889 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . 0.533 ' H ' ' HD2' ' B' ' 75' ' ' LYS . 0.0 OUTLIER -67.64 130.35 42.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.984 -0.553 . . . . 11.56 110.669 179.788 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 76.0 20.63 77.48 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.927 -0.654 . . . . 8.65 112.494 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 -132.19 130.7 41.38 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.765 0.317 . . . . 7.58 110.851 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 30.5 m80 -104.91 159.12 16.05 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.031 -0.729 . . . . 7.9 109.031 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 35.1 tp -55.62 -40.81 72.62 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.477 -0.329 . . . . 4.14 111.827 -179.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.5 -45.17 94.24 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.343 -0.39 . . . . 5.79 111.503 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -59.9 -56.18 24.88 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 116.163 -0.471 . . . . 6.75 110.596 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 80.2 mt -56.08 -50.82 67.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.174 -0.921 . . . . 4.76 112.3 -179.055 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . 0.629 HD21 HD12 ' A' ' 25' ' ' LEU . 10.9 tp -59.15 -41.35 88.12 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.779 0.659 . . . . 5.48 112.779 -178.46 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -72.48 -30.72 64.79 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 111.857 0.317 . . . . 7.63 111.857 -179.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 27.1 p -80.83 -39.34 26.74 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.866 0.321 . . . . 6.84 111.866 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -98.35 68.72 1.91 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.158 0.504 . . . . 6.55 111.457 -179.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 87' ' ' SER . . . . . 0.741 ' HG ' ' N ' ' A' ' 14' ' ' MET . 1.4 m -108.6 144.22 36.6 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.158 -0.474 . . . . 8.4 110.259 179.605 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 53.1 mtp180 -106.31 157.34 17.67 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.571 0.225 . . . . 10.35 110.773 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 42.7 t -91.42 120.12 68.41 Favored Pre-proline 0 C--N 1.325 -0.497 0 N-CA-C 109.563 -0.532 . . . . 11.96 109.563 179.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.88 60.58 6.11 Favored 'Trans proline' 0 C--O 1.234 0.285 0 C-N-CA 122.948 2.432 . . . . 13.1 112.437 -179.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -65.96 103.67 0.98 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.053 -0.521 . . . . 14.34 110.577 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 6.2 m . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.241 -0.885 . . . . 16.55 110.244 -179.583 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 56.9 t . . . . . 0 C--O 1.231 0.113 0 N-CA-C 109.814 -0.439 . . . . 9.95 109.814 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 21' ' ' HIS . . . . . . . . . . . . . 67.6 t60 -89.54 114.83 26.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.331 -0.395 . . . . 9.34 110.956 -179.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 22' ' ' LEU . . . . . . . . . . . . . 95.9 mt -118.56 153.94 33.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.317 -0.401 . . . . 6.88 111.514 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 23' ' ' THR . . . . . . . . . . . . . 23.1 m -115.71 123.07 47.37 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.262 -0.644 . . . . 8.91 109.262 179.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 24' ' ' LEU . . . . . 0.68 HD13 HD21 ' C' ' 51' ' ' LEU . 25.1 mt -101.87 121.89 42.97 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.826 0.346 . . . . 8.66 111.55 -179.057 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 19.5 tptm -127.98 117.61 22.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.047 -0.524 . . . . 13.38 110.529 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 26' ' ' LYS . . . . . 0.617 ' HE3' ' HD1' ' C' ' 32' ' ' PHE . 25.5 ttpp -90.91 140.69 29.58 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.425 -0.352 . . . . 14.09 111.522 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 27' ' ' ILE . . . . . 0.531 ' O ' ' HE2' ' C' ' 31' ' ' LYS . 62.9 mt -86.24 -47.61 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.024 -0.534 . . . . 14.88 111.152 179.558 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 23.6 mp0 -65.15 133.89 52.56 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.792 0.329 . . . . 15.23 110.897 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.29 142.39 94.67 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 116.002 -0.544 . . . . 18.5 111.019 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 30' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -76.46 135.86 41.81 Favored 'Cis proline' 0 C--O 1.234 0.324 0 C-N-CA 123.454 -1.478 . . . . 17.48 111.51 -0.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 31' ' ' LYS . . . . . 0.531 ' HE2' ' O ' ' C' ' 27' ' ' ILE . 90.6 mttt -76.17 127.6 33.25 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.145 -0.479 . . . . 17.53 110.712 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 32' ' ' PHE . . . . . 0.634 ' HE2' HG12 ' C' ' 34' ' ' ILE . 9.7 p90 -122.34 154.68 37.33 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.173 -0.467 . . . . 13.5 110.168 179.257 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 33' ' ' SER . . . . . 0.51 ' HA ' ' O ' ' C' ' 24' ' ' LEU . 2.2 m -140.87 103.57 4.52 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.125 -0.489 . . . . 12.36 109.978 179.31 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . 0.634 HG12 ' HE2' ' C' ' 32' ' ' PHE . 46.9 pt -123.26 153.59 28.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.407 -0.36 . . . . 10.72 110.84 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 35' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -121.02 138.14 54.31 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.243 -0.435 . . . . 10.54 110.355 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 36' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -153.4 151.18 29.62 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.879 0.371 . . . . 9.85 111.062 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -98.03 134.06 41.65 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.597 -0.729 . . . . 9.77 110.353 179.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 38' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -127.31 -179.02 4.67 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.001 -0.74 . . . . 9.82 109.001 179.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 2.5 m -108.38 150.73 40.96 Favored Pre-proline 0 C--N 1.325 -0.494 0 C-N-CA 121.178 -0.209 . . . . 11.97 110.512 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_exo -66.53 -17.81 53.6 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.718 2.279 . . . . 12.89 110.907 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.38 -15.66 54.57 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.393 -0.821 . . . . 14.42 111.083 179.69 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -80.99 163.76 23.03 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.311 -0.404 . . . . 11.77 110.611 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 77.2 p -111.33 173.85 6.15 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.268 -0.423 . . . . 11.4 110.555 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 44' ' ' ILE . . . . . 0.668 HD11 HD21 ' C' ' 81' ' ' LEU . 42.6 mm -63.27 -27.67 43.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.257 0.551 . . . . 7.86 109.865 178.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 53.8 tp -59.8 -38.97 83.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.504 -0.771 . . . . 12.88 110.72 179.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 46' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -61.61 -38.41 87.51 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.213 -0.448 . . . . 12.18 111.459 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 53.8 mt -63.92 -43.12 97.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 109.694 -0.484 . . . . 8.04 109.694 179.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -63.39 -44.25 95.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.587 -0.733 . . . . 10.51 110.082 179.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -62.25 -35.35 78.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.798 -0.637 . . . . 13.94 110.666 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 50' ' ' HIS . . . . . 0.543 ' O ' ' HG2' ' C' ' 54' ' ' GLU . 3.4 t60 -72.69 -29.35 63.33 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.826 -0.624 . . . . 11.16 111.435 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . 0.68 HD21 HD13 ' C' ' 24' ' ' LEU . 65.7 mt -65.07 -34.36 78.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.934 0.397 . . . . 12.37 110.996 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 52' ' ' ILE . . . . . . . . . . . . . 40.8 mt -69.52 -38.23 76.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.012 -0.54 . . . . 15.35 110.529 179.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 1.4 p -70.66 -19.45 62.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.834 0.35 . . . . 15.02 111.341 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 54' ' ' GLU . . . . . 0.543 ' HG2' ' O ' ' C' ' 50' ' ' HIS . 30.5 mm-40 -93.81 7.44 44.88 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.464 -0.334 . . . . 14.38 110.374 179.205 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 61.39 38.06 16.41 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.693 -0.685 . . . . 18.85 111.859 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -118.08 7.32 12.18 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.92 -0.582 . . . . 14.47 111.148 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -162.47 171.49 16.99 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.161 -0.472 . . . . 15.28 110.483 -179.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 58' ' ' SER . . . . . . . . . . . . . 1.1 t -122.52 -63.99 1.23 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.512 -0.313 . . . . 17.75 110.807 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 59' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 -113.02 149.69 32.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.852 0.358 . . . . 19.22 111.048 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 39.4 mm -63.79 -33.8 64.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.945 -0.57 . . . . 13.8 111.661 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.55 -13.08 62.14 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.575 0.584 . . . . 14.67 112.575 -178.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 62' ' ' GLU . . . . . 0.459 ' O ' ' HA ' ' C' ' 94' ' ' ILE . 33.4 mt-10 -94.92 -11.06 29.33 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.98 0.419 . . . . 16.71 111.316 -178.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 63' ' ' ILE . . . . . . . . . . . . . 19.7 mt -94.17 105.12 16.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 112.666 0.617 . . . . 10.79 112.666 -178.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 64' ' ' LYS . . . . . . . . . . . . . 31.9 mtmt -102.45 108.44 19.75 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.932 -0.766 . . . . 9.73 108.932 178.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 65' ' ' LEU . . . . . 0.518 ' HB3' HD12 ' C' ' 72' ' ' LEU . 61.6 mt -97.68 135.62 39.22 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.628 0.251 . . . . 5.89 110.717 -179.394 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 66' ' ' LEU . . . . . 0.605 HD13 ' HB ' ' A' ' 49' ' ' VAL . 5.6 mt -132.4 152.8 51.33 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.217 -0.447 . . . . 7.57 110.678 -179.611 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 67' ' ' LEU . . . . . 0.407 HD13 HD13 ' C' ' 90' ' ' ILE . 55.0 tp -139.23 106.17 5.43 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.705 -0.48 . . . . 7.44 109.705 178.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 58.0 32.31 21.8 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.236 0.541 . . . . 12.88 110.997 -179.52 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 69' ' ' GLY . . . . . 0.881 ' HA2' HG21 ' A' ' 49' ' ' VAL . . . 95.8 -8.85 68.4 Favored Glycine 0 N--CA 1.446 -0.68 0 CA-C-N 115.725 -0.671 . . . . 8.93 112.966 179.642 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 70' ' ' LYS . . . . . 0.637 ' HA ' ' OD2' ' A' ' 45' ' ' ASP . 0.3 OUTLIER -87.62 126.23 34.83 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.63 0.215 . . . . 9.44 111.389 -179.605 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 71' ' ' VAL . . . . . . . . . . . . . 70.5 t -72.33 112.44 8.03 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 N-CA-C 109.238 -0.653 . . . . 7.05 109.238 178.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 72' ' ' LEU . . . . . 0.518 HD12 ' HB3' ' C' ' 65' ' ' LEU . 81.4 mt -72.52 108.61 5.67 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.979 -0.555 . . . . 5.9 111.078 -179.373 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 73' ' ' HIS . . . . . 0.42 ' HB2' ' HB2' ' C' ' 76' ' ' LEU . 96.2 m-70 -68.5 141.97 55.42 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.194 -0.912 . . . . 8.93 110.462 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -56.68 -38.28 72.04 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 112.516 0.562 . . . . 9.91 112.516 -178.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 75' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -91.09 13.15 17.69 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.955 0.354 . . . . 13.36 111.955 -179.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 76' ' ' LEU . . . . . 0.42 ' HB2' ' HB2' ' C' ' 73' ' ' HIS . 40.9 tp -83.05 133.77 35.06 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.725 -0.472 . . . . 9.58 109.725 179.367 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -84.15 148.37 26.8 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.093 -0.503 . . . . 14.32 110.874 -179.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 78' ' ' LEU . . . . . 0.594 ' HA ' ' HG ' ' C' ' 81' ' ' LEU . 26.5 mt -68.84 -14.81 63.26 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.992 -0.549 . . . . 9.53 111.623 -179.488 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.08 -7.32 55.51 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.306 -0.406 . . . . 12.75 111.482 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 80' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -109.15 -0.3 19.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.022 0.439 . . . . 12.44 110.897 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 81' ' ' LEU . . . . . 0.668 HD21 HD11 ' C' ' 44' ' ' ILE . 37.1 mt -66.17 126.61 29.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.472 . . . . 10.15 111.28 -179.563 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 82' ' ' LYS . . . . . . . . . . . . . 41.3 mmtm -82.47 65.19 7.48 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.015 -0.538 . . . . 12.59 109.93 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 14.5 m -104.93 144.63 14.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.169 -0.469 . . . . 11.5 111.215 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 84' ' ' THR . . . . . . . . . . . . . 32.6 p -132.48 167.46 22.46 Favored Pre-proline 0 C--N 1.32 -0.678 0 N-CA-C 108.662 -0.866 . . . . 13.96 108.662 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 85' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -58.49 -23.73 65.76 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.594 2.196 . . . . 14.91 111.704 179.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -81.45 -40.02 23.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.242 -0.435 . . . . 15.11 111.3 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 87' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -131.38 101.74 5.67 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.631 0.604 . . . . 12.35 112.631 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 88' ' ' SER . . . . . . . . . . . . . 18.9 m -123.02 17.18 10.05 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.988 -0.745 . . . . 10.32 108.988 178.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 89' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.95 125.83 34.73 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.147 -0.933 . . . . 9.82 111.448 -179.259 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 90' ' ' ILE . . . . . 0.407 HD13 HD13 ' C' ' 67' ' ' LEU . 46.9 mm -98.4 129.43 48.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 109.117 -0.697 . . . . 6.59 109.117 179.118 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 91' ' ' THR . . . . . 0.59 ' HB ' ' HB2' ' C' ' 66' ' ' LEU . 1.0 OUTLIER -80.52 112.09 17.55 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.098 -0.501 . . . . 8.75 110.399 -179.7 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 92' ' ' VAL . . . . . 0.543 ' O ' ' HA ' ' C' ' 26' ' ' LYS . 31.6 t -102.51 114.89 43.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 116.107 -0.497 . . . . 9.58 111.015 -179.697 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 93' ' ' MET . . . . . . . . . . . . . 2.6 mtm -120.16 120.84 37.34 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.613 -0.514 . . . . 10.9 109.613 178.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 94' ' ' ILE . . . . . 0.459 ' HA ' ' O ' ' C' ' 62' ' ' GLU . 80.7 mt -119.57 119.06 59.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.151 0.501 . . . . 13.44 111.929 -178.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 95' ' ' LYS . . . . . . . . . . . . . 70.8 mttt -129.24 139.45 35.72 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 115.344 -0.844 . . . . 14.6 109.324 179.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 96' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -71.26 128.83 15.16 Favored 'Trans proline' 0 C--O 1.235 0.367 0 C-N-CA 122.263 1.975 . . . . 17.56 112.371 -179.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 4.7 t30 70.45 -79.99 0.0 OUTLIER Pre-proline 0 C--O 1.248 0.99 0 CA-C-O 118.584 -0.722 . . . . 18.17 111.499 179.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 98' ' ' PRO . . . . . . . . . . . . . . . . . . . . 1 C--N 1.248 -4.74 0 O-C-N 122.701 0.842 . . . . 15.75 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.602 ' HG2' ' HA ' ' B' ' 87' ' ' SER . 1.4 tmt? . . . . . 0 N--CA 1.478 0.964 0 N-CA-C 110.441 -0.207 . . . . 10.47 110.441 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 14.8 mmt -69.22 -49.94 51.84 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.159 0.504 . . . . 11.61 110.461 -179.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.5 m -150.45 -15.26 0.24 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.857 -0.61 . . . . 10.77 110.686 178.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 63.4 44.51 5.39 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 109.035 -0.728 . . . . 8.07 109.035 -178.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.428 ' HB2' ' OE1' ' A' ' 20' ' ' GLU . 0.3 OUTLIER -71.67 176.91 4.44 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 114.624 -1.171 . . . . 10.11 110.503 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.404 ' HD3' ' HG3' ' B' ' 38' ' ' GLU . 13.0 mtmt -53.11 -40.8 64.43 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.199 0.444 . . . . 10.66 112.199 -179.412 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.428 ' OE1' ' HB2' ' A' ' 18' ' ' SER . 2.9 pm0 -71.17 -36.56 72.05 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.164 0.431 . . . . 11.43 112.164 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -64.94 -35.21 80.43 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.164 0.507 . . . . 8.91 110.862 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 49.4 mt -85.55 -44.39 17.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.885 -0.598 . . . . 6.35 112.163 -179.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.37 -43.21 64.55 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 112.368 0.507 . . . . 7.12 112.368 -178.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.83 -41.98 88.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.138 -0.483 . . . . 7.6 111.406 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 86.7 mt -73.86 -34.1 64.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.335 -0.393 . . . . 5.59 111.736 -179.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 84.1 mt -61.44 -53.66 45.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.954 0.407 . . . . 4.33 111.011 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 30.1 m -67.17 -34.19 67.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.384 -0.371 . . . . 6.96 111.362 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -66.71 -35.3 79.79 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.036 0.446 . . . . 7.34 109.93 179.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -60.48 -51.37 69.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.862 -0.608 . . . . 5.51 110.039 179.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -62.52 -38.8 91.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.046 -0.524 . . . . 6.35 110.458 179.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.1 m -62.06 -41.72 98.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.043 -0.526 . . . . 8.01 110.579 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.484 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 18.2 m -62.63 -36.48 82.93 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.083 -0.508 . . . . 8.27 110.842 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.557 HG23 ' HB3' ' A' ' 38' ' ' GLU . 69.6 mt -69.85 -47.55 69.1 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 CA-C-N 115.987 -0.551 . . . . 8.37 111.402 -179.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 34.6 m -69.74 -31.73 49.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 113.166 0.802 . . . . 9.63 113.166 -179.022 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -61.5 -40.65 95.36 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.867 0.321 . . . . 10.98 111.867 -179.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.484 ' HG2' ' O ' ' A' ' 32' ' ' SER . 32.7 pttt -96.85 6.13 49.25 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.595 -0.275 . . . . 11.09 111.303 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 39.5 tttm 54.2 47.38 23.27 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 115.905 -0.588 . . . . 11.72 111.125 -179.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.557 ' HB3' HG23 ' A' ' 33' ' ' ILE . 18.2 tt0 -82.79 -4.76 58.4 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.492 0.663 . . . . 9.58 109.73 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 17.8 tt -121.96 156.38 26.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.252 -0.885 . . . . 9.5 109.085 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.2 m -76.33 156.14 33.58 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 110.418 -0.216 . . . . 9.96 110.418 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -54.29 -32.49 56.52 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 116.65 -0.25 . . . . 11.9 111.645 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -63.43 -43.55 97.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.377 -0.374 . . . . 10.3 110.772 179.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.04 -39.74 53.07 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.97 -0.633 . . . . 8.47 111.58 179.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.96 -33.83 76.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.16 0.505 . . . . 8.42 110.105 179.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -58.77 -49.0 79.28 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.346 -0.843 . . . . 9.73 110.083 179.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.5 m -69.51 -27.77 65.47 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.838 -0.619 . . . . 7.86 111.162 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 45.5 mt -67.84 -28.99 68.03 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.23 0.456 . . . . 6.77 112.23 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -58.88 -40.26 83.85 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.982 0.42 . . . . 9.39 110.918 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.905 HG11 HD21 ' C' ' 66' ' ' LEU . 14.7 p -87.82 -31.83 5.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.302 -0.408 . . . . 9.6 110.852 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.04 -48.83 78.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 7.62 110.755 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 43.1 ttm -63.46 -37.05 85.8 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.133 0.492 . . . . 8.19 110.242 179.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -64.67 -43.5 93.37 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.557 -0.747 . . . . 11.12 110.42 179.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.523 ' HA ' ' HG2' ' A' ' 56' ' ' GLU . 12.7 m -68.61 -33.07 73.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.035 -0.53 . . . . 9.77 111.872 179.568 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 96.6 mt -67.13 -39.31 82.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 108.484 -0.932 . . . . 9.06 108.484 178.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.55 ' HA ' ' CE1' ' A' ' 60' ' ' PHE . 19.3 m -66.05 -44.0 85.89 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.295 -0.866 . . . . 10.96 111.347 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.523 ' HG2' ' HA ' ' A' ' 53' ' ' CYS . 12.0 pt-20 -67.65 -35.37 78.77 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-O 120.798 0.332 . . . . 12.89 111.595 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.57 -48.23 67.5 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.243 -0.435 . . . . 11.68 111.86 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -81.07 -6.57 58.96 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.8 0.333 . . . . 11.93 111.796 -179.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.13 52.95 24.8 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 121.238 -0.506 . . . . 13.13 113.289 179.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.55 ' CE1' ' HA ' ' A' ' 55' ' ' SER . 15.2 p90 -148.04 156.45 42.65 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 110.244 -0.28 . . . . 12.01 110.244 179.303 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 46.3 mp0 -96.64 147.11 24.22 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.751 0.31 . . . . 14.85 110.665 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 11.4 ttp180 -63.04 -31.39 72.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.297 0.57 . . . . 11.66 110.062 179.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -75.06 7.38 3.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.435 -0.802 . . . . 13.0 111.472 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.451 ' O ' HG13 ' A' ' 68' ' ' ILE . . . -118.2 0.46 11.75 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.578 0.214 . . . . 12.82 111.578 -179.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 14.3 p -60.39 -34.47 57.88 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 CA-C-O 120.968 0.413 . . . . 10.88 111.175 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -36.87 85.09 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.706 -0.679 . . . . 12.04 110.602 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -73.38 -42.87 40.18 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.942 -0.647 . . . . 12.77 111.923 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 64' ' ' ALA . 34.2 mt -60.28 -41.46 87.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.765 0.317 . . . . 11.54 110.797 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 95.0 mt -68.31 -30.97 70.07 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.886 0.374 . . . . 10.42 110.587 179.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -74.83 -32.02 57.51 Favored Glycine 0 N--CA 1.448 -0.554 0 CA-C-N 115.96 -0.564 . . . . 12.46 112.936 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -84.74 -29.27 25.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.89 0.376 . . . . 14.12 111.593 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.9 m -86.87 165.05 16.24 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.269 -0.423 . . . . 10.83 110.314 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -88.46 44.22 1.19 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.297 0.57 . . . . 10.68 110.648 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -132.26 19.81 4.42 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.645 -0.707 . . . . 8.37 110.331 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.9 ptmt -66.67 120.3 13.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.641 -0.709 . . . . 12.83 110.736 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 85.79 12.72 71.2 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.555 -0.831 . . . . 9.82 111.859 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -115.06 143.23 45.52 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.815 0.341 . . . . 8.93 110.811 179.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 22.8 m80 -116.39 151.1 36.65 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.248 -0.433 . . . . 8.72 109.946 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.469 HD11 HD11 ' B' ' 79' ' ' LEU . 16.3 tp -55.23 -38.7 68.8 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 123.21 0.319 . . . . 4.7 111.43 -179.625 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.8 -43.42 93.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.24 -0.437 . . . . 5.96 110.909 179.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -63.1 -43.8 97.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.001 -0.545 . . . . 7.82 111.096 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 71.4 mt -62.51 -48.69 87.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.694 -0.685 . . . . 5.79 110.762 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.466 HD21 HD12 ' B' ' 25' ' ' LEU . 8.6 mp -67.41 -28.22 67.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.85 0.357 . . . . 5.97 111.611 -179.579 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.545 ' O ' ' HA ' ' B' ' 14' ' ' MET . 60.1 t30 -71.93 -45.47 61.03 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.933 0.397 . . . . 9.2 110.082 179.103 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.5 m -69.61 -35.8 75.6 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.94 -0.573 . . . . 7.98 110.487 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.65 119.2 9.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.958 -0.564 . . . . 7.06 109.947 179.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.799 ' HA ' ' HB2' ' B' ' 14' ' ' MET . 2.9 m -108.86 114.99 29.23 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.188 -0.46 . . . . 9.21 110.702 -179.307 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -116.08 110.21 18.57 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.226 -0.443 . . . . 9.55 110.431 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 41.9 t -98.06 111.07 58.43 Favored Pre-proline 0 C--N 1.324 -0.539 0 N-CA-C 109.796 -0.446 . . . . 12.15 109.796 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.875 ' HB3' ' HD3' ' B' ' 75' ' ' LYS . 58.6 Cg_endo -72.94 76.68 2.47 Favored 'Trans proline' 0 N--CA 1.462 -0.336 0 C-N-CA 122.738 2.292 . . . . 12.82 112.537 -179.336 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -77.31 72.56 3.86 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.093 0.473 . . . . 14.19 110.251 179.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.474 -0.774 . . . . 15.67 110.334 -179.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' MET . . . . . 0.799 ' HB2' ' HA ' ' A' ' 87' ' ' SER . 48.4 ttp . . . . . 0 N--CA 1.485 1.308 0 N-CA-C 111.882 0.327 . . . . 11.23 111.882 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 55.4 ttm -90.42 70.85 7.0 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.512 0.56 . . . . 13.11 112.512 -178.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 7.9 m 50.92 89.94 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 112.866 0.691 . . . . 11.45 112.866 179.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.98 115.78 7.87 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.881 0.372 . . . . 8.27 110.949 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -77.72 164.05 25.61 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.035 -0.53 . . . . 9.28 110.644 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 5.6 mmpp? -57.13 -47.73 80.42 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.798 0.332 . . . . 8.44 111.141 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -60.85 -37.2 81.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.892 -0.595 . . . . 9.58 111.804 -179.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -71.33 -42.04 69.08 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.169 -0.469 . . . . 8.61 111.159 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 66.4 mt -68.44 -40.65 82.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.297 -0.411 . . . . 4.87 110.126 179.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.429 ' HA ' HD12 ' B' ' 26' ' ' ILE . . . -61.15 -34.37 74.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.943 -0.571 . . . . 4.42 110.621 179.5 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.65 -38.92 89.51 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.937 -0.574 . . . . 5.79 110.345 179.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.466 HD12 HD21 ' A' ' 83' ' ' LEU . 72.0 mt -73.45 -32.3 64.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.355 -0.384 . . . . 4.52 110.354 179.327 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.429 HD12 ' HA ' ' B' ' 23' ' ' ALA . 99.6 mt -65.03 -50.34 75.16 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 CA-C-N 115.895 -0.593 . . . . 4.37 109.694 178.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 29.0 m -68.83 -30.03 45.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.367 -0.378 . . . . 6.25 110.29 179.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -63.12 -41.3 99.3 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 109.187 -0.671 . . . . 6.91 109.187 178.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 30.2 t80 -63.18 -44.99 93.86 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.385 -0.825 . . . . 7.07 109.773 178.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . 0.447 ' O ' ' HB ' ' B' ' 33' ' ' ILE . 15.6 m-85 -62.37 -37.96 87.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.067 0.461 . . . . 8.36 110.247 178.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 23.2 m -65.85 -39.4 90.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.006 -0.543 . . . . 9.5 109.663 178.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . 0.446 ' HA ' ' HG2' ' B' ' 35' ' ' GLU . 16.8 m -70.62 -7.68 46.06 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.766 -0.652 . . . . 9.77 110.471 179.344 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.851 HG23 ' HB3' ' B' ' 38' ' ' GLU . 52.6 mt -91.19 -50.02 13.0 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 CA-C-N 115.653 -0.703 . . . . 11.09 110.072 179.032 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 31.5 m -74.4 -23.11 18.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 113.014 0.746 . . . . 12.38 113.014 -178.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.446 ' HG2' ' HA ' ' B' ' 32' ' ' SER . 11.0 pt-20 -72.76 -24.92 61.02 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.608 0.596 . . . . 13.19 112.608 -179.515 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 10.4 pttm -129.27 23.45 5.57 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.317 0.488 . . . . 13.7 112.317 -179.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 16.8 ttmm 48.92 56.87 7.08 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.408 0.623 . . . . 15.86 112.091 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . 0.851 ' HB3' HG23 ' B' ' 33' ' ' ILE . 19.8 tp10 -74.6 -26.34 59.85 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.551 -0.749 . . . . 12.56 109.067 179.247 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 6.4 tp -126.08 163.08 28.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.036 -0.984 . . . . 13.67 108.835 179.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.8 164.5 23.48 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.657 0.265 . . . . 15.14 111.239 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.18 -34.39 72.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.78 0.324 . . . . 16.66 111.167 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.43 -43.78 98.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 15.52 110.945 178.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.36 -35.04 81.37 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.924 -0.655 . . . . 13.17 111.588 179.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.27 -30.34 70.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.944 0.402 . . . . 12.42 110.641 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -62.65 -49.33 75.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.904 -0.589 . . . . 13.38 109.887 179.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 1.4 m -70.06 -38.26 75.74 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.033 -0.531 . . . . 11.72 111.298 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 41.0 mt -61.36 -25.74 67.36 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.698 0.629 . . . . 9.64 112.698 -179.434 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -58.0 -59.36 5.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.577 -0.283 . . . . 11.12 111.428 -179.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 8.6 p -71.49 -30.19 38.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.632 -0.258 . . . . 10.04 111.072 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.81 -44.36 96.98 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.934 0.397 . . . . 8.26 110.563 179.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 46.2 ttm -63.06 -35.83 81.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.98 -0.555 . . . . 7.93 110.073 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -64.88 -48.39 74.41 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.851 -0.613 . . . . 9.48 109.983 179.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 77.9 m -57.63 -44.39 85.52 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.515 -0.766 . . . . 8.11 111.156 179.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 98.1 mt -62.51 -42.26 95.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.261 -0.427 . . . . 6.13 110.754 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . 0.519 ' HA ' ' CE1' ' B' ' 60' ' ' PHE . 19.9 m -60.59 -51.26 70.16 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.009 -0.541 . . . . 7.39 111.794 -179.546 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -68.61 -28.83 67.26 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.343 0.498 . . . . 8.81 112.343 -179.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.2 -41.71 99.2 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.497 -0.319 . . . . 7.38 111.368 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' PHE . . . . . 0.419 ' HB2' ' HD1' ' B' ' 60' ' ' PHE . 91.5 m-85 -90.26 -6.63 54.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.235 0.541 . . . . 8.09 110.817 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 73.77 42.22 39.59 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.794 -0.639 . . . . 9.43 113.379 179.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . 0.519 ' CE1' ' HA ' ' B' ' 55' ' ' SER . 16.4 p90 -135.74 153.8 51.45 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.776 0.288 . . . . 8.7 110.391 179.276 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -88.27 135.72 33.31 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.983 0.421 . . . . 11.16 111.019 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' B' ' 62' ' ' ARG . 21.3 ttp180 -59.35 -37.78 78.72 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.813 -0.63 . . . . 10.74 111.116 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.82 0.64 12.58 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 112.234 0.457 . . . . 11.8 112.234 -179.443 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -112.56 17.56 19.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.853 0.358 . . . . 10.53 111.058 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 5.4 p -57.19 -44.86 84.29 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 N-CA-C 112.517 0.562 . . . . 9.11 112.517 -179.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 1.2 m -68.1 -25.19 65.19 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.596 0.221 . . . . 10.71 111.596 -179.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -65.24 -36.06 92.36 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.645 -0.788 . . . . 11.05 111.424 179.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 48.1 mt -74.89 -47.36 37.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 109.901 -0.407 . . . . 9.74 109.901 179.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 71.4 mt -61.45 -38.79 88.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.75 -0.659 . . . . 9.17 111.394 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -70.14 -25.85 75.06 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 121.009 -0.615 . . . . 11.56 112.729 -179.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 13.5 ttmt -84.37 -45.22 12.98 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.225 0.536 . . . . 12.46 110.084 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 18.5 m -77.33 -177.13 4.47 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.708 -0.678 . . . . 9.82 111.96 -179.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -82.36 -21.47 35.91 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.611 -0.722 . . . . 10.24 110.818 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -79.3 74.22 5.9 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.769 -0.65 . . . . 7.68 111.448 -179.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . 0.875 ' HD3' ' HB3' ' A' ' 90' ' ' PRO . 0.7 OUTLIER -124.81 133.9 52.95 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.269 -0.423 . . . . 11.56 110.287 179.265 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 72.32 21.29 79.41 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.693 -0.765 . . . . 8.65 111.633 -179.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 21.8 mm-40 -136.28 120.13 17.43 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.046 -0.724 . . . . 7.58 109.046 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 45.0 m80 -84.51 161.43 20.25 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.171 -0.677 . . . . 7.9 109.171 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.469 HD11 HD11 ' A' ' 79' ' ' LEU . 23.1 tp -59.94 -34.06 72.74 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.35 0.595 . . . . 4.14 110.211 179.451 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.67 -29.95 68.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.455 -0.793 . . . . 5.79 111.023 179.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -75.12 -49.23 20.26 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 116.13 -0.486 . . . . 6.75 110.352 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 82.0 mt -60.3 -45.28 96.58 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 CA-C-N 115.846 -0.615 . . . . 4.76 110.895 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 6.9 mp -67.8 -20.28 65.18 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.078 -0.51 . . . . 5.48 111.644 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -78.74 -43.0 26.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.916 0.388 . . . . 7.63 110.253 179.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.02 -31.71 70.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.79 -0.641 . . . . 6.84 110.842 179.555 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.12 97.13 0.17 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.02 -0.537 . . . . 6.55 110.372 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 87' ' ' SER . . . . . 0.602 ' HA ' ' HG2' ' A' ' 14' ' ' MET . 2.0 m -107.41 102.15 11.45 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.959 -0.564 . . . . 8.4 110.579 -179.466 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 28.2 mmm-85 -119.63 127.14 52.65 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.76 -0.655 . . . . 10.35 109.945 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 61.2 t -101.82 118.48 59.41 Favored Pre-proline 0 C--N 1.319 -0.732 0 CA-C-N 116.221 -0.445 . . . . 11.96 109.809 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_exo -63.82 114.91 2.79 Favored 'Trans proline' 0 C--O 1.236 0.394 0 C-N-CA 122.582 2.188 . . . . 13.1 111.21 179.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -78.12 57.36 1.8 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.962 0.411 . . . . 14.34 111.197 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 69.8 m . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.344 -0.836 . . . . 16.55 109.854 179.855 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 21.4 t . . . . . 0 N--CA 1.455 -0.202 0 CA-C-O 121.077 0.465 . . . . 9.95 109.973 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 21' ' ' HIS . . . . . . . . . . . . . 17.7 t60 -82.41 109.2 16.44 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.745 -0.662 . . . . 9.34 110.813 -179.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 22' ' ' LEU . . . . . . . . . . . . . 63.5 mt -107.64 144.62 34.43 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.415 -0.357 . . . . 6.88 111.105 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 23' ' ' THR . . . . . 0.512 ' HB ' ' HA ' ' C' ' 89' ' ' THR . 2.5 m -108.54 117.87 35.31 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.89 -0.595 . . . . 8.91 109.815 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 24' ' ' LEU . . . . . 0.481 HD13 HD21 ' C' ' 51' ' ' LEU . 60.7 mt -101.68 118.21 36.47 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.592 0.234 . . . . 8.66 110.7 -179.685 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 17.9 tptm -130.65 124.21 31.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.92 0.391 . . . . 13.38 111.565 -179.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 26' ' ' LYS . . . . . 0.65 ' HD3' ' CE2' ' C' ' 32' ' ' PHE . 16.7 tttp -101.21 116.7 33.42 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.957 -0.757 . . . . 14.09 108.957 178.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 27' ' ' ILE . . . . . . . . . . . . . 44.3 pt -82.08 -8.36 11.29 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 N-CA-C 113.106 0.78 . . . . 14.88 113.106 -178.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . 0.671 HE22 ' HA ' ' C' ' 93' ' ' MET . 0.9 OUTLIER -107.9 153.0 23.67 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.349 -0.611 . . . . 15.23 109.349 179.139 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.88 132.92 92.05 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-O 120.865 0.364 . . . . 18.5 111.934 -179.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 30' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -83.84 131.39 17.11 Favored 'Cis proline' 0 CA--C 1.531 0.345 0 C-N-CA 123.084 -1.632 . . . . 17.48 111.406 -1.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 51.8 mttt -75.69 110.38 10.06 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.056 0.455 . . . . 17.53 111.082 -179.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 32' ' ' PHE . . . . . 0.65 ' CE2' ' HD3' ' C' ' 26' ' ' LYS . 40.1 p90 -124.47 163.37 21.98 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.04 -0.527 . . . . 13.5 110.673 179.238 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 33' ' ' SER . . . . . . . . . . . . . 15.6 m -148.1 119.4 7.83 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.395 -0.366 . . . . 12.36 110.38 179.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 9.4 pt -137.45 158.51 34.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.266 -0.425 . . . . 10.72 110.692 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 35' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -129.48 147.32 51.28 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.299 -0.409 . . . . 10.54 110.07 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 36' ' ' HIS . . . . . . . . . . . . . 76.4 t60 -158.1 150.71 22.42 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.304 -0.407 . . . . 9.85 110.757 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -94.48 124.96 38.83 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.078 -0.51 . . . . 9.77 109.998 179.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 38' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -113.64 -179.29 3.6 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 116.264 -0.425 . . . . 9.82 110.346 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.46 152.91 44.27 Favored Pre-proline 0 C--N 1.326 -0.43 0 N-CA-C 109.355 -0.609 . . . . 11.97 109.355 179.32 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -63.35 -17.21 58.99 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.402 2.068 . . . . 12.89 112.186 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.4 -14.56 45.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.96 -0.564 . . . . 14.42 110.446 179.268 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -79.08 130.72 35.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.975 -0.557 . . . . 11.77 109.635 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 18.7 p -92.4 178.45 5.83 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.434 -0.348 . . . . 11.4 110.283 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 44' ' ' ILE . . . . . 0.724 ' HB ' ' HA ' ' C' ' 74' ' ' ASP . 48.2 mm -60.5 -28.27 42.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.279 0.561 . . . . 7.86 110.004 179.486 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 43.9 tp -62.69 -37.48 86.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.516 -0.766 . . . . 12.88 110.524 179.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 46' ' ' GLN . . . . . 0.503 ' HA ' ' OE1' ' C' ' 49' ' ' GLN . 1.5 mp0 -63.13 -37.56 87.69 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.292 -0.413 . . . . 12.18 110.998 -179.762 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 55.2 mt -63.19 -42.19 95.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 109.46 -0.57 . . . . 8.04 109.46 179.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -64.95 -44.45 89.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.47 -0.786 . . . . 10.51 110.419 179.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . 0.503 ' OE1' ' HA ' ' C' ' 46' ' ' GLN . 85.6 mt-30 -59.52 -36.15 75.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.937 -0.574 . . . . 13.94 110.533 179.67 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 50' ' ' HIS . . . . . 0.451 ' O ' ' HG2' ' C' ' 54' ' ' GLU . 1.8 t60 -69.2 -38.24 78.52 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.731 -0.668 . . . . 11.16 111.225 -179.69 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . 0.481 HD21 HD13 ' C' ' 24' ' ' LEU . 65.9 mt -62.45 -32.34 73.19 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.279 -0.419 . . . . 12.37 111.757 -179.737 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 52' ' ' ILE . . . . . . . . . . . . . 60.7 mt -65.69 -42.43 92.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 120.948 0.404 . . . . 15.35 110.488 179.273 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.89 -16.18 62.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.062 -0.517 . . . . 15.02 111.167 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 54' ' ' GLU . . . . . 0.451 ' HG2' ' O ' ' C' ' 50' ' ' HIS . 72.3 mm-40 -95.02 10.06 37.11 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.061 -0.518 . . . . 14.38 110.126 179.28 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 56.17 43.63 26.42 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.634 -0.712 . . . . 18.85 111.349 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 33.4 mmtm -107.44 -28.23 9.95 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.184 -0.462 . . . . 14.47 111.667 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . 0.464 ' HB2' HD13 ' C' ' 94' ' ' ILE . . . -141.4 166.95 23.34 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.226 -0.443 . . . . 15.28 110.247 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 58' ' ' SER . . . . . . . . . . . . . 2.5 t -103.64 -39.78 6.57 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.4 -0.364 . . . . 17.75 110.544 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 59' ' ' HIS . . . . . . . . . . . . . 86.5 m-70 -132.58 163.93 27.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.911 0.386 . . . . 19.22 111.957 -179.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 39.4 mm -69.23 -36.88 74.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.644 -0.707 . . . . 13.8 111.477 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 1.7 m -65.28 -23.49 67.05 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 113.053 0.761 . . . . 14.67 113.053 -178.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -77.76 -22.27 50.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.299 0.571 . . . . 16.71 111.188 -179.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 63' ' ' ILE . . . . . . . . . . . . . 33.4 mt -87.23 99.36 8.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 112.866 0.691 . . . . 10.79 112.866 -178.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 64' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -103.79 108.09 19.25 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.749 -0.834 . . . . 9.73 108.749 178.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 65' ' ' LEU . . . . . 0.583 HD12 HG23 ' C' ' 44' ' ' ILE . 76.1 mt -93.17 142.7 27.01 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.675 0.274 . . . . 5.89 111.626 -179.016 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 66' ' ' LEU . . . . . 0.905 HD21 HG11 ' A' ' 49' ' ' VAL . 1.7 mp -133.93 166.03 23.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.142 -0.481 . . . . 7.57 110.819 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 22.5 tp -140.68 66.35 1.38 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.798 -0.637 . . . . 7.44 109.351 179.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.29 87.4 0.1 Allowed 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.489 -0.778 . . . . 12.88 112.032 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 84.56 -58.18 5.0 Favored Glycine 0 CA--C 1.519 0.302 0 C-N-CA 120.629 -0.796 . . . . 8.93 113.109 179.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 70' ' ' LYS . . . . . 0.708 ' HE3' ' HA ' ' C' ' 70' ' ' LYS . 0.1 OUTLIER -80.52 142.24 34.36 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.822 0.344 . . . . 9.44 111.467 -179.523 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 71' ' ' VAL . . . . . 0.66 ' HA ' ' HG ' ' C' ' 66' ' ' LEU . 40.1 t -90.7 143.57 10.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.057 -0.52 . . . . 7.05 110.175 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 86.7 mt -94.51 125.45 39.16 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.956 0.407 . . . . 5.9 110.434 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 73' ' ' HIS . . . . . . . . . . . . . 21.7 m-70 -94.57 147.45 23.27 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.151 -0.477 . . . . 8.93 111.058 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 74' ' ' ASP . . . . . 0.724 ' HA ' ' HB ' ' C' ' 44' ' ' ILE . 3.3 m-20 -52.13 -44.62 64.6 Favored 'General case' 0 C--O 1.236 0.366 0 O-C-N 123.721 0.638 . . . . 9.91 112.597 -179.094 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 75' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -78.22 67.89 4.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.118 0.485 . . . . 13.36 111.619 -179.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 76' ' ' LEU . . . . . . . . . . . . . 21.4 tp -155.56 148.57 24.48 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.839 -0.619 . . . . 9.58 109.493 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -103.61 156.06 18.07 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.733 0.301 . . . . 14.32 110.566 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 39.6 mt -62.96 -28.16 69.89 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.122 -0.49 . . . . 9.53 112.299 -179.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 79' ' ' SER . . . . . . . . . . . . . 12.3 m -67.99 -20.69 65.05 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.946 0.403 . . . . 12.75 111.797 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 80' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -87.31 -8.05 57.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.127 0.489 . . . . 12.44 110.862 -179.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 82.4 mt -81.06 128.88 34.21 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.05 -0.523 . . . . 10.15 109.919 179.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 82' ' ' LYS . . . . . . . . . . . . . 42.7 mmtm -81.45 45.26 0.85 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.335 0.588 . . . . 12.59 110.538 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 2.6 m -67.83 118.71 12.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.603 -0.726 . . . . 11.5 110.834 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 84' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -118.82 162.28 31.88 Favored Pre-proline 0 C--N 1.319 -0.758 0 CA-C-N 115.656 -0.702 . . . . 13.96 109.956 -179.455 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 85' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_exo -54.86 -27.14 51.75 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.987 2.458 . . . . 14.91 112.965 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -77.33 -23.72 50.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.702 0.287 . . . . 15.11 111.546 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 87' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -148.05 90.48 1.83 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.25 0.548 . . . . 12.35 111.758 -179.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 88' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -114.78 23.97 12.19 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.489 0.661 . . . . 10.32 109.854 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 89' ' ' THR . . . . . 0.512 ' HA ' ' HB ' ' C' ' 23' ' ' THR . 0.2 OUTLIER -104.84 132.64 50.84 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.458 -0.792 . . . . 9.82 110.962 -179.276 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 90' ' ' ILE . . . . . . . . . . . . . 42.2 mm -99.93 128.03 52.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 109.07 -0.715 . . . . 6.59 109.07 179.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 91' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.72 106.17 9.37 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.943 0.401 . . . . 8.75 110.628 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 92' ' ' VAL . . . . . 0.516 HG12 HG13 ' C' ' 94' ' ' ILE . 48.8 t -92.63 110.33 22.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 121.102 0.477 . . . . 9.58 110.601 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 93' ' ' MET . . . . . 0.671 ' HA ' HE22 ' C' ' 28' ' ' GLN . 50.7 mmm -109.54 68.2 0.67 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.301 -0.409 . . . . 10.9 110.772 -179.608 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 94' ' ' ILE . . . . . 0.516 ' HB ' ' HD2' ' C' ' 26' ' ' LYS . 81.9 mt -73.53 104.93 2.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 109.755 -0.461 . . . . 13.44 109.755 179.261 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 95' ' ' LYS . . . . . . . . . . . . . 12.2 mmtp -142.51 128.18 10.46 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 115.494 -0.775 . . . . 14.6 109.431 -179.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 96' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -81.06 -167.22 0.48 Allowed 'Trans proline' 0 N--CA 1.461 -0.428 0 C-N-CA 122.468 2.112 . . . . 17.56 111.237 179.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 56.8 t30 66.82 -104.99 0.0 OUTLIER Pre-proline 0 C--O 1.249 1.036 0 CA-C-O 118.108 -0.948 . . . . 18.17 111.774 179.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 98' ' ' PRO . . . . . . . . . . . . . . . . . . . . 1 C--N 1.248 -4.717 0 O-C-N 122.689 0.836 . . . . 15.75 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.563 ' HB2' ' HA ' ' B' ' 87' ' ' SER . 1.2 tmt? . . . . . 0 N--CA 1.481 1.124 0 N-CA-C 111.506 0.187 . . . . 10.47 111.506 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 22.8 mmt -65.6 -77.34 0.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.69 -0.232 . . . . 11.61 111.568 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.8 m -150.93 -33.72 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.627 -0.261 . . . . 10.77 111.673 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 60.44 59.74 2.17 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.666 0.746 . . . . 8.07 110.257 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 m -74.88 174.2 9.57 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.796 -1.093 . . . . 10.11 110.683 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.47 ' HB3' ' CE1' ' A' ' 58' ' ' PHE . 4.7 mttm -54.74 -43.82 73.02 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.041 -0.527 . . . . 10.66 112.025 -179.073 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -68.54 -39.05 81.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.614 -0.267 . . . . 11.43 111.617 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -61.16 -45.2 95.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.206 0.527 . . . . 8.91 109.912 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 71.5 mt -70.19 -45.6 75.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.547 -0.751 . . . . 6.35 111.195 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.46 -41.54 73.05 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.446 -0.343 . . . . 7.12 111.873 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.87 -41.01 95.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 7.6 110.934 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.1 mt -69.94 -32.97 71.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.169 -0.469 . . . . 5.59 111.155 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 93.7 mt -68.39 -51.36 48.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.063 -0.517 . . . . 4.33 110.977 179.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 31.5 m -64.76 -37.77 81.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.448 -0.342 . . . . 6.96 111.751 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -62.7 -36.99 84.73 Favored 'General case' 0 C--N 1.334 -0.091 0 CA-C-O 121.016 0.436 . . . . 7.34 110.324 179.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.401 ' O ' HG13 ' A' ' 33' ' ' ILE . 42.3 t80 -61.87 -43.8 98.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.054 -0.521 . . . . 5.51 110.101 179.312 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -63.96 -41.11 97.67 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.078 -0.51 . . . . 6.35 110.092 179.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.9 m -59.17 -45.8 90.05 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.929 -0.578 . . . . 8.01 110.373 179.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.629 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 24.1 m -58.03 -45.23 87.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.464 -0.335 . . . . 8.27 110.962 179.523 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 29' ' ' TYR . 70.6 mt -61.12 -48.15 90.32 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 CA-C-N 116.323 -0.399 . . . . 8.37 111.763 -179.513 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 31.5 m -72.02 -27.61 27.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 112.771 0.656 . . . . 9.63 112.771 -179.015 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -76.11 -41.02 51.57 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.753 0.311 . . . . 10.98 111.696 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.629 ' HG2' ' O ' ' A' ' 32' ' ' SER . 26.5 pttt -87.85 6.42 35.5 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.792 0.33 . . . . 11.09 110.6 179.375 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.2 mtpt 49.98 58.28 5.63 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.353 -0.839 . . . . 11.72 112.823 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -104.52 18.73 21.65 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.438 0.637 . . . . 9.58 109.671 179.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 11.2 tp -148.06 149.65 15.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.353 -0.839 . . . . 9.5 109.632 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.44 151.69 43.78 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.357 -0.383 . . . . 9.96 110.686 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -58.26 -27.27 63.85 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 112.225 0.454 . . . . 11.9 112.225 -179.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -63.91 -21.87 66.66 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.506 -0.315 . . . . 10.3 111.236 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -111.11 -8.38 23.79 Favored Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.858 -0.687 . . . . 8.47 111.387 179.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.76 -49.82 69.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.53 0.205 . . . . 8.42 111.299 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -66.93 -31.89 72.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.857 0.361 . . . . 9.73 110.064 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.1 m -65.31 -46.23 81.14 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.963 -0.562 . . . . 7.86 109.951 179.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 58.4 mt -68.49 -35.25 77.26 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.691 -0.485 . . . . 6.77 109.691 179.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -63.4 -48.41 77.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.594 -0.73 . . . . 9.39 111.054 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.458 HG11 HD21 ' C' ' 66' ' ' LEU . 13.7 p -68.52 -38.58 79.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.497 -0.32 . . . . 9.6 110.855 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.6 -45.63 92.01 Favored 'General case' 0 N--CA 1.457 -0.121 0 N-CA-C 109.924 -0.398 . . . . 7.62 109.924 178.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 30.1 ttm -58.36 -41.42 84.66 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.827 -0.624 . . . . 8.19 109.998 179.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -65.43 -45.09 85.23 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.736 -0.666 . . . . 11.12 110.6 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 90.3 m -63.91 -38.79 92.39 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.074 -0.512 . . . . 9.77 111.093 179.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 94.2 mt -62.07 -41.39 90.98 Favored 'Isoleucine or valine' 0 C--O 1.232 0.156 0 N-CA-C 109.651 -0.499 . . . . 9.06 109.651 178.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.559 ' HA ' ' CE1' ' A' ' 60' ' ' PHE . 19.4 m -58.71 -55.9 29.12 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.498 -0.773 . . . . 10.96 111.563 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -63.61 -29.72 70.93 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.355 0.502 . . . . 12.89 112.355 -179.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.31 -42.66 92.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.826 0.346 . . . . 11.68 111.227 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.47 ' CE1' ' HB3' ' A' ' 19' ' ' LYS . 79.5 m-85 -84.21 -10.54 57.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.314 -0.403 . . . . 11.93 111.53 179.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 86.87 21.29 50.94 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 121.016 -0.611 . . . . 13.13 113.7 178.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.559 ' CE1' ' HA ' ' A' ' 55' ' ' SER . 18.9 p90 -122.11 159.14 27.75 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 117.06 0.43 . . . . 12.01 110.693 179.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -92.41 141.28 28.7 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.547 -0.297 . . . . 14.85 110.295 179.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 62' ' ' ARG . 14.4 ttp180 -55.63 -40.93 72.83 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.065 -0.516 . . . . 11.66 111.314 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -76.39 0.92 17.84 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.449 0.537 . . . . 13.0 112.449 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -100.07 2.03 42.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.732 0.301 . . . . 12.82 110.916 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 9.0 p -58.91 -35.62 57.38 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-O 121.071 0.463 . . . . 10.88 111.077 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.17 -40.57 96.4 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.731 -0.668 . . . . 12.04 110.738 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.56 -41.33 65.94 Favored Glycine 0 N--CA 1.449 -0.483 0 CA-C-N 115.793 -0.639 . . . . 12.77 111.82 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 90.7 mt -63.0 -51.54 70.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 120.68 0.276 . . . . 11.54 110.728 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 52.8 mt -62.38 -30.73 71.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.417 -0.356 . . . . 10.42 111.49 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -67.38 -27.64 73.55 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 121.052 -0.594 . . . . 12.46 113.0 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.413 ' HE2' ' HB3' ' A' ' 71' ' ' LYS . 7.1 ptpt -106.02 5.62 30.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 117.006 0.403 . . . . 14.12 111.491 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 67.3 m -100.21 168.12 10.01 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.003 -0.544 . . . . 10.83 111.81 -179.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -69.71 -39.79 76.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.296 -0.865 . . . . 10.68 110.777 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -78.96 41.05 0.42 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.612 -0.722 . . . . 8.37 112.047 -178.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.779 ' HD3' ' HB3' ' B' ' 90' ' ' PRO . 21.4 ptmt -72.23 132.31 43.92 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.363 -0.38 . . . . 12.83 110.104 179.375 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 71.41 26.9 72.41 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.921 -0.657 . . . . 9.82 112.602 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -130.16 154.73 47.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.913 0.387 . . . . 8.93 110.731 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 46.4 m80 -115.57 159.47 21.23 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.048 -0.723 . . . . 8.72 109.048 178.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 19.3 tp -59.28 -39.97 84.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.808 0.337 . . . . 4.7 111.265 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.46 -40.88 96.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 5.96 111.037 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -59.36 -48.07 83.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.08 0.467 . . . . 7.82 110.607 -179.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 70.2 mt -62.15 -48.53 88.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.632 -0.713 . . . . 5.79 111.383 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.578 HD22 HG12 ' B' ' 22' ' ' ILE . 8.3 mp -64.68 -28.71 69.79 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.085 0.402 . . . . 5.97 112.085 -179.441 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -78.17 -20.11 52.62 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.072 0.463 . . . . 9.2 110.532 179.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 9.8 m -94.27 -31.55 14.03 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.09 -0.505 . . . . 7.98 110.629 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.72 103.64 1.14 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.309 0.576 . . . . 7.06 110.961 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 15.3 m -87.05 118.92 26.75 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.733 -0.667 . . . . 9.21 110.181 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.519 ' HD3' ' OE1' ' B' ' 77' ' ' GLN . 1.9 mmp_? -131.52 99.23 4.74 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.281 -0.418 . . . . 9.55 110.623 -179.147 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 38.3 t -99.15 115.92 65.46 Favored Pre-proline 0 C--N 1.327 -0.373 0 N-CA-C 109.838 -0.43 . . . . 12.15 109.838 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_endo -78.14 80.22 3.05 Favored 'Trans proline' 0 C--O 1.235 0.36 0 C-N-CA 122.824 2.35 . . . . 12.82 112.714 -179.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -72.84 101.82 3.24 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.833 -0.621 . . . . 14.19 110.799 179.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 14.1 m . . . . . 0 C--O 1.25 1.095 0 CA-C-N 115.666 -0.697 . . . . 15.67 110.357 179.848 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 59.2 ttp . . . . . 0 N--CA 1.483 1.182 0 CA-C-O 120.578 0.227 . . . . 11.23 111.428 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 13.2 mmt -80.78 70.35 7.53 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 110.288 -0.264 . . . . 13.11 110.288 -179.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 27.2 m 64.76 99.81 0.04 OUTLIER 'General case' 0 CA--C 1.523 -0.092 0 O-C-N 123.801 0.688 . . . . 11.45 109.965 -178.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.459 ' HB1' HD11 ' B' ' 22' ' ' ILE . . . -42.98 97.3 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.302 0 O-C-N 123.696 0.623 . . . . 8.27 112.417 -178.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 8.6 m -101.12 173.55 6.41 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.638 -0.71 . . . . 9.28 110.133 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -56.25 -46.17 79.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.428 -0.351 . . . . 8.44 110.917 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -61.48 -50.56 72.26 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.292 0.478 . . . . 9.58 112.292 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.728 ' HG2' ' HB3' ' B' ' 72' ' ' SER . 11.7 mt-10 -57.27 -36.29 70.82 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 112.058 0.392 . . . . 8.61 112.058 -179.32 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.578 HG12 HD22 ' A' ' 83' ' ' LEU . 54.1 mt -85.53 -49.81 15.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 112.571 0.582 . . . . 4.87 112.571 -178.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.23 -38.25 73.5 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.182 0.438 . . . . 4.42 112.182 -178.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.75 -44.14 85.91 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 123.238 0.336 . . . . 5.79 110.946 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.554 HD12 HD21 ' A' ' 83' ' ' LEU . 91.6 mt -72.19 -35.16 68.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.233 -0.439 . . . . 4.52 111.274 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 90.3 mt -60.79 -54.17 39.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.438 . . . . 4.37 110.649 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 30.9 m -68.88 -32.73 55.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.358 -0.383 . . . . 6.25 111.055 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -62.13 -43.55 98.58 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 116.271 -0.422 . . . . 6.91 110.148 179.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' TYR . . . . . 0.452 ' O ' HG13 ' B' ' 33' ' ' ILE . 49.0 t80 -59.03 -50.08 75.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.745 -0.662 . . . . 7.07 110.477 179.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -62.68 -41.15 98.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 8.36 111.179 -179.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 35.1 m -63.74 -35.59 81.09 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.234 -0.439 . . . . 9.5 110.734 179.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . 0.537 ' HA ' ' HG2' ' B' ' 35' ' ' GLU . 14.9 m -75.33 -14.81 60.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.221 0.534 . . . . 9.77 110.964 179.713 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.822 HG23 ' HB3' ' B' ' 38' ' ' GLU . 79.2 mt -82.91 -45.77 19.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.055 -0.521 . . . . 11.09 110.114 179.254 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 18.9 m -73.12 -36.08 49.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 113.022 0.749 . . . . 12.38 113.022 -179.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.537 ' HG2' ' HA ' ' B' ' 32' ' ' SER . 8.6 pt-20 -58.58 -36.13 73.5 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 112.656 0.613 . . . . 13.19 112.656 -178.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 25.8 pttm -106.95 13.14 27.98 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.766 0.284 . . . . 13.7 111.766 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 20.2 ttmm 50.77 64.12 1.95 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.555 0.693 . . . . 15.86 112.043 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . 0.822 ' HB3' HG23 ' B' ' 33' ' ' ILE . 85.2 tt0 -90.14 -23.75 21.26 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.709 -0.678 . . . . 12.56 110.129 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 15.1 tt -110.46 167.84 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.583 -0.735 . . . . 13.67 110.317 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -77.1 166.96 22.58 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.935 0.398 . . . . 15.14 111.413 -179.732 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -61.25 -27.62 68.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.882 -0.599 . . . . 16.66 112.501 -179.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.38 -59.18 2.86 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.395 -0.366 . . . . 15.52 110.956 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.27 -27.45 60.4 Favored Glycine 0 CA--C 1.518 0.269 0 CA-C-N 116.056 -0.52 . . . . 13.17 112.822 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.85 -36.46 83.33 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.978 0.418 . . . . 12.42 110.267 179.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.25 -40.8 77.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.826 -0.624 . . . . 13.38 109.863 179.621 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . 0.479 ' HA ' HD12 ' C' ' 27' ' ' ILE . 0.8 OUTLIER -63.45 -47.38 82.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.693 -0.685 . . . . 11.72 110.253 179.612 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 33.1 mt -67.24 -29.29 68.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 9.64 111.14 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -55.72 -55.0 37.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.824 -0.625 . . . . 11.12 110.672 179.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 10.9 p -76.13 -30.48 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 10.04 111.437 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.37 -41.2 84.24 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.918 0.39 . . . . 8.26 110.441 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 61.7 mtm -62.78 -40.37 97.1 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.94 -0.573 . . . . 7.93 110.503 179.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.52 -42.65 91.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.913 -0.585 . . . . 9.48 110.412 179.612 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 92.9 m -59.95 -45.36 92.89 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.048 -0.524 . . . . 8.11 111.151 179.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 82.5 mt -63.05 -43.16 98.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.431 -0.35 . . . . 6.13 110.314 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . 0.525 ' HA ' ' CE1' ' B' ' 60' ' ' PHE . 17.5 m -60.85 -52.8 63.52 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.004 -0.544 . . . . 7.39 111.999 -179.605 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.84 -31.66 72.42 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 112.422 0.527 . . . . 8.81 112.422 -179.06 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.12 -41.93 73.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.717 0.294 . . . . 7.38 110.93 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -76.25 -35.48 58.95 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.251 -0.431 . . . . 8.09 111.405 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 111.21 25.92 4.83 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.556 -0.83 . . . . 9.43 113.561 179.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . 0.525 ' CE1' ' HA ' ' B' ' 55' ' ' SER . 23.1 p90 -131.9 178.59 6.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 122.716 -0.285 . . . . 8.7 110.692 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . 0.474 ' HG3' ' H ' ' B' ' 63' ' ' GLU . 8.1 tp10 -122.66 150.41 42.72 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 110.088 -0.338 . . . . 11.16 110.088 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 24.5 ttp180 -63.65 -25.49 68.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.062 -0.517 . . . . 10.74 111.229 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.474 ' H ' ' HG3' ' B' ' 61' ' ' GLU . 9.5 tp10 -79.79 -6.19 56.83 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.027 -0.533 . . . . 11.8 111.11 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -105.81 10.31 32.64 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.76 0.314 . . . . 10.53 111.351 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 12.7 p -61.66 -32.79 54.78 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 CA-C-O 120.789 0.328 . . . . 9.11 111.726 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.46 -35.13 75.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.007 0.432 . . . . 10.71 111.015 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -72.2 -29.85 65.92 Favored Glycine 0 N--CA 1.451 -0.341 0 CA-C-N 115.91 -0.586 . . . . 11.05 111.873 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 58.2 mt -79.36 -52.25 15.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 120.51 0.195 . . . . 9.74 110.721 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 32.0 mt -57.51 -40.53 78.91 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 112.215 0.45 . . . . 9.17 112.215 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -72.93 -22.02 79.41 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.67 -0.776 . . . . 11.56 112.5 -179.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 2.8 ttmp? -87.29 -59.01 2.37 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.852 0.358 . . . . 12.46 110.627 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . 0.728 ' HB3' ' HG2' ' B' ' 21' ' ' GLU . 14.4 m -62.09 165.37 5.73 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.73 -0.668 . . . . 9.82 111.282 -179.403 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -83.69 54.17 2.78 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.48 0.548 . . . . 10.24 112.48 -178.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.515 ' HE2' ' HB3' ' B' ' 21' ' ' GLU . 45.4 m-85 -145.12 22.84 1.54 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.744 -0.662 . . . . 7.68 109.812 178.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . 0.579 ' H ' ' HD2' ' B' ' 75' ' ' LYS . 0.0 OUTLIER -66.38 127.81 33.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.355 -0.839 . . . . 11.56 111.747 -179.381 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 74.71 16.69 80.15 Favored Glycine 0 N--CA 1.451 -0.337 0 CA-C-N 115.676 -0.693 . . . . 8.65 113.081 179.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' GLN . . . . . 0.519 ' OE1' ' HD3' ' A' ' 88' ' ' ARG . 14.0 mm-40 -120.84 160.38 23.53 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 122.694 -0.298 . . . . 7.58 110.478 -179.371 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . 0.681 ' HB2' ' OD1' ' B' ' 81' ' ' ASP . 64.2 m80 -126.48 149.25 49.45 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.784 -0.45 . . . . 7.9 109.784 179.199 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 20.1 tp -56.55 -33.45 66.14 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.242 -0.435 . . . . 4.14 112.059 -179.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.73 -56.5 17.0 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.07 0.396 . . . . 5.79 112.07 -179.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 81' ' ' ASP . . . . . 0.681 ' OD1' ' HB2' ' B' ' 78' ' ' HIS . 0.3 OUTLIER -67.3 -41.87 84.69 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.718 0.636 . . . . 6.75 112.718 -179.277 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 93.9 mt -56.22 -46.91 81.5 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 CA-C-O 120.897 0.38 . . . . 4.76 111.502 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 5.1 mp -67.17 -34.41 77.48 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.142 -0.481 . . . . 5.48 111.308 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -70.64 -37.81 73.8 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.271 -0.422 . . . . 7.63 111.861 -179.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.4 p -66.18 -22.23 66.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.946 0.403 . . . . 6.84 111.525 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -75.88 128.82 35.92 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 109.445 -0.576 . . . . 6.55 109.445 179.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 87' ' ' SER . . . . . 0.563 ' HA ' ' HB2' ' A' ' 14' ' ' MET . 3.4 m -101.95 101.45 11.86 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.006 0.431 . . . . 8.4 110.508 -179.65 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 9.8 mmm180 -96.24 119.13 34.17 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.084 0.468 . . . . 10.35 111.271 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 89' ' ' VAL . . . . . 0.426 ' HA ' ' HD3' ' B' ' 90' ' ' PRO . 3.2 t -94.52 120.95 64.36 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 115.737 -0.665 . . . . 11.96 109.612 179.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 90' ' ' PRO . . . . . 0.779 ' HB3' ' HD3' ' A' ' 75' ' ' LYS . 7.0 Cg_exo -75.36 101.41 1.47 Allowed 'Trans proline' 0 N--CA 1.46 -0.484 0 C-N-CA 122.747 2.298 . . . . 13.1 111.791 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -76.18 75.84 3.01 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.073 0.463 . . . . 14.34 110.368 179.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 C--O 1.245 0.82 0 CA-C-O 118.488 -0.767 . . . . 16.55 110.45 -179.118 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 45.1 t . . . . . 0 CA--C 1.528 0.127 0 CA-C-O 121.358 0.599 . . . . 9.95 110.1 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 21' ' ' HIS . . . . . . . . . . . . . 17.7 t60 -78.03 111.57 14.05 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.574 -0.739 . . . . 9.34 110.543 -179.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 22' ' ' LEU . . . . . . . . . . . . . 95.8 mt -118.69 143.88 46.56 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.465 -0.334 . . . . 6.88 111.228 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 23' ' ' THR . . . . . 0.408 ' HA ' ' HG2' ' C' ' 35' ' ' GLU . 5.4 m -102.59 120.05 39.87 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.696 -0.684 . . . . 8.91 109.507 179.039 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 24' ' ' LEU . . . . . . . . . . . . . 35.7 mt -103.45 115.01 29.74 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 110.089 -0.337 . . . . 8.66 110.089 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 63.4 tttt -124.17 128.09 48.72 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.715 0.293 . . . . 13.38 111.024 -179.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 26' ' ' LYS . . . . . 0.629 ' HE3' ' CE2' ' C' ' 32' ' ' PHE . 5.4 ttpp -90.5 128.1 36.43 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.262 -0.426 . . . . 14.09 110.142 178.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 27' ' ' ILE . . . . . 0.479 HD12 ' HA ' ' B' ' 46' ' ' SER . 40.4 pt -80.71 -23.66 11.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 112.923 0.712 . . . . 14.88 112.923 -178.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . 0.569 ' O ' ' HG2' ' C' ' 26' ' ' LYS . 28.7 tt0 -104.56 143.12 33.49 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.653 0.263 . . . . 15.23 110.886 -179.605 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . 0.481 ' HA ' ' C ' ' C' ' 30' ' ' PRO . . . -64.38 140.63 98.01 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 116.132 -0.485 . . . . 18.5 110.871 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 30' ' ' PRO . . . . . 0.481 ' C ' ' HA ' ' C' ' 29' ' ' ALA . 52.1 Cg_endo -70.2 133.81 27.83 Favored 'Cis proline' 0 C--N 1.345 0.347 0 C-N-CA 123.173 -1.595 . . . . 17.48 112.1 -0.432 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 34.0 mtmt -91.13 137.9 32.01 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.326 -0.397 . . . . 17.53 110.613 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 32' ' ' PHE . . . . . 0.629 ' CE2' ' HE3' ' C' ' 26' ' ' LYS . 24.0 p90 -155.05 159.45 40.29 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.036 -0.529 . . . . 13.5 110.21 179.608 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 33' ' ' SER . . . . . . . . . . . . . 6.8 m -134.62 101.79 5.07 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.173 -0.467 . . . . 12.36 109.972 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 36.1 pt -110.95 156.67 12.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.455 -0.339 . . . . 10.72 110.477 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 35' ' ' GLU . . . . . 0.408 ' HG2' ' HA ' ' C' ' 23' ' ' THR . 45.7 mt-10 -130.59 149.85 52.06 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.824 0.345 . . . . 10.54 110.967 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 36' ' ' HIS . . . . . . . . . . . . . 31.1 t60 -157.88 141.04 15.16 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.782 -0.645 . . . . 9.85 110.0 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -86.14 99.25 11.38 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.088 -0.505 . . . . 9.77 109.868 179.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 38' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -88.09 -172.71 3.93 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.206 -0.452 . . . . 9.82 110.451 -179.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.46 147.19 41.35 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 116.236 -0.438 . . . . 11.97 110.168 179.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -68.38 -15.19 41.75 Favored 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 122.456 2.104 . . . . 12.89 112.486 -179.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 41' ' ' SER . . . . . . . . . . . . . 1.4 m -91.59 4.19 53.23 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.252 -0.431 . . . . 14.42 111.025 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 42' ' ' ASP . . . . . 0.4 ' O ' ' HG ' ' C' ' 78' ' ' LEU . 85.7 m-20 -93.23 157.87 16.04 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.037 0.446 . . . . 11.77 111.088 -179.637 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 43' ' ' THR . . . . . 0.463 ' HA ' ' HA ' ' C' ' 77' ' ' PHE . 0.3 OUTLIER -103.09 167.18 9.99 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.857 -0.61 . . . . 11.4 109.668 179.697 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 44' ' ' ILE . . . . . 0.742 HG23 HD12 ' C' ' 65' ' ' LEU . 11.6 mm -55.89 -31.88 31.35 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 CA-C-O 121.193 0.52 . . . . 7.86 110.497 179.312 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 59.9 tp -56.99 -31.99 65.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.551 -0.75 . . . . 12.88 111.593 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 46' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -64.12 -38.33 90.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.766 0.317 . . . . 12.18 111.182 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 64.9 mt -66.05 -41.85 90.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 108.967 -0.753 . . . . 8.04 108.967 178.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 48' ' ' LYS . . . . . 0.619 ' HD3' HG23 ' C' ' 60' ' ' ILE . 77.5 mttt -61.81 -44.46 96.81 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.358 -0.837 . . . . 10.51 110.088 178.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -61.45 -40.64 95.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.753 -0.658 . . . . 13.94 111.09 179.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 44.7 t60 -65.94 -34.87 79.11 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.367 -0.379 . . . . 11.16 110.935 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 89.4 mt -64.19 -36.4 83.95 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.333 -0.394 . . . . 12.37 110.663 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 52' ' ' ILE . . . . . . . . . . . . . 49.8 mt -74.61 -43.18 48.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.232 -0.44 . . . . 15.35 110.68 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 12.4 p -64.94 -28.46 69.54 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.908 0.385 . . . . 15.02 110.952 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 54' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -89.82 10.25 24.32 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.326 -0.397 . . . . 14.38 110.776 178.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 55.3 39.22 31.24 Favored 'General case' 0 C--O 1.233 0.215 0 N-CA-C 113.234 0.827 . . . . 18.85 113.234 179.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 56' ' ' LYS . . . . . 0.433 ' HB3' ' CZ ' ' C' ' 32' ' ' PHE . 48.2 mmtm -98.02 -23.81 15.62 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.169 0.509 . . . . 14.47 109.766 179.202 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -138.73 179.61 6.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.49 -0.777 . . . . 15.28 109.482 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 58' ' ' SER . . . . . . . . . . . . . 3.7 m -117.53 -49.74 2.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.831 0.348 . . . . 17.75 111.725 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 59' ' ' HIS . . . . . 0.589 ' HB2' ' HG3' ' C' ' 62' ' ' GLU . 97.9 m-70 -121.67 151.05 40.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.958 0.408 . . . . 19.22 111.609 -179.682 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 60' ' ' ILE . . . . . 0.619 HG23 ' HD3' ' C' ' 48' ' ' LYS . 18.1 mm -64.0 -33.16 60.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.614 -0.721 . . . . 13.8 111.265 -179.719 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.94 -29.28 67.5 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.741 0.645 . . . . 14.67 112.741 -178.748 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 62' ' ' GLU . . . . . 0.589 ' HG3' ' HB2' ' C' ' 59' ' ' HIS . 28.5 mt-10 -71.42 -27.62 63.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.034 0.445 . . . . 16.71 111.312 -179.193 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 63' ' ' ILE . . . . . . . . . . . . . 32.3 mt -76.84 115.5 18.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.521 -0.763 . . . . 10.79 112.211 -178.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 64' ' ' LYS . . . . . 0.616 ' HB3' ' HB3' ' C' ' 93' ' ' MET . 35.8 tptt -116.78 106.36 13.39 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.535 -0.913 . . . . 9.73 108.535 178.597 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 65' ' ' LEU . . . . . 0.742 HD12 HG23 ' C' ' 44' ' ' ILE . 77.6 mt -92.84 144.07 25.64 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.752 0.311 . . . . 5.89 111.222 -179.407 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 66' ' ' LEU . . . . . 0.752 ' HB2' ' HB ' ' C' ' 91' ' ' THR . 9.6 mt -139.32 146.12 39.92 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.138 -0.483 . . . . 7.57 111.279 -179.434 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 67' ' ' LEU . . . . . 0.489 ' HB3' HD21 ' C' ' 72' ' ' LEU . 55.1 tp -147.48 111.21 5.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.056 -0.52 . . . . 7.44 109.934 178.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 13.8 mmmt 59.15 33.59 22.86 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.05 -0.523 . . . . 12.88 111.124 -179.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 93.58 -35.26 4.21 Favored Glycine 0 N--CA 1.449 -0.453 0 CA-C-N 115.713 -0.676 . . . . 8.93 112.59 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 70' ' ' LYS . . . . . 0.414 ' HE3' ' HA ' ' C' ' 70' ' ' LYS . 0.0 OUTLIER -67.09 126.16 28.31 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.846 0.355 . . . . 9.44 110.613 -179.715 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 71' ' ' VAL . . . . . 0.627 ' HA ' HD23 ' C' ' 66' ' ' LEU . 15.9 t -75.59 125.08 34.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.919 -0.582 . . . . 7.05 109.806 179.28 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 72' ' ' LEU . . . . . 0.489 HD21 ' HB3' ' C' ' 67' ' ' LEU . 28.8 mt -88.4 103.09 15.52 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.156 -0.474 . . . . 5.9 109.86 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 73' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -84.79 162.1 19.71 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.951 -0.568 . . . . 8.93 111.952 -179.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -55.95 -30.08 61.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.59 -0.732 . . . . 9.91 112.949 -178.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 75' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -91.08 23.41 3.26 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 113.187 0.81 . . . . 13.36 113.187 -177.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 76' ' ' LEU . . . . . . . . . . . . . 48.3 tp -112.43 135.72 52.78 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 122.133 -0.354 . . . . 9.58 110.483 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 77' ' ' PHE . . . . . 0.463 ' HA ' ' HA ' ' C' ' 43' ' ' THR . 21.1 m-85 -86.22 153.63 21.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.931 0.396 . . . . 14.32 111.679 -179.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 78' ' ' LEU . . . . . 0.603 ' HA ' ' HG ' ' C' ' 81' ' ' LEU . 36.1 mt -70.3 -20.58 63.01 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.088 -0.506 . . . . 9.53 111.218 -179.733 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 79' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.21 -19.82 63.97 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.14 -0.482 . . . . 12.75 111.885 -179.501 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 80' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -93.08 -14.0 27.86 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.825 0.345 . . . . 12.44 111.063 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 81' ' ' LEU . . . . . 0.603 ' HG ' ' HA ' ' C' ' 78' ' ' LEU . 36.0 mt -57.86 127.34 31.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.108 0.48 . . . . 10.15 111.76 -179.182 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 82' ' ' LYS . . . . . 0.468 ' H ' ' HG2' ' C' ' 82' ' ' LYS . 3.8 mmtt -83.21 57.45 3.97 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.749 -0.66 . . . . 12.59 109.715 179.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 1.6 m -89.31 101.64 12.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.397 0.618 . . . . 11.5 112.105 -178.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 84' ' ' THR . . . . . . . . . . . . . 33.3 p -99.28 166.44 12.96 Favored Pre-proline 0 C--N 1.321 -0.639 0 N-CA-C 108.388 -0.967 . . . . 13.96 108.388 179.205 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 85' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_exo -58.99 -24.02 71.24 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.231 1.954 . . . . 14.91 111.132 178.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -78.67 -34.11 46.5 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.841 -0.618 . . . . 15.11 111.023 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 87' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -134.75 80.85 1.87 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.323 0.583 . . . . 12.35 112.179 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 88' ' ' SER . . . . . . . . . . . . . 3.6 m -105.69 13.45 29.76 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.888 -0.597 . . . . 10.32 110.85 179.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 89' ' ' THR . . . . . . . . . . . . . 3.9 m -99.28 119.02 37.23 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.059 0.457 . . . . 9.82 111.603 -179.222 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 90' ' ' ILE . . . . . . . . . . . . . 43.9 mm -88.52 130.11 38.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 108.93 -0.767 . . . . 6.59 108.93 179.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 91' ' ' THR . . . . . 0.752 ' HB ' ' HB2' ' C' ' 66' ' ' LEU . 10.5 m -77.97 117.41 19.28 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.401 -0.363 . . . . 8.75 110.874 -179.648 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 92' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' C' ' 26' ' ' LYS . 48.2 t -103.93 111.35 33.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.187 0.517 . . . . 9.58 110.615 179.519 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 93' ' ' MET . . . . . 0.616 ' HB3' ' HB3' ' C' ' 64' ' ' LYS . 4.5 ttt -114.9 141.19 48.27 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.234 -0.654 . . . . 10.9 109.234 179.369 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 94' ' ' ILE . . . . . 0.611 HD12 ' HE2' ' C' ' 26' ' ' LYS . 51.9 mt -130.6 122.17 52.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 120.912 0.386 . . . . 13.44 110.713 179.71 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 95' ' ' LYS . . . . . 0.58 ' HD3' ' HD2' ' C' ' 96' ' ' PRO . 18.2 mmtp -134.82 145.83 56.34 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 115.907 -0.588 . . . . 14.6 109.925 179.685 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 96' ' ' PRO . . . . . 0.58 ' HD2' ' HD3' ' C' ' 95' ' ' LYS . 24.7 Cg_endo -61.81 142.45 93.65 Favored 'Trans proline' 0 C--O 1.235 0.361 0 C-N-CA 122.711 2.274 . . . . 17.56 112.022 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 13.1 t30 70.86 -95.8 0.0 OUTLIER Pre-proline 0 C--O 1.249 1.054 0 CA-C-O 117.911 -1.043 . . . . 18.17 111.835 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 98' ' ' PRO . . . . . . . . . . . . . . . . . . . . 1 C--N 1.249 -4.685 0 O-C-N 122.799 0.894 . . . . 15.75 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.739 ' N ' ' HG ' ' B' ' 87' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.425 0 CA-C-O 120.807 0.337 . . . . 10.47 110.093 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 34.7 mmm -81.82 -179.93 7.58 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.53 -0.544 . . . . 11.61 109.53 179.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -84.93 15.62 3.89 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.571 0.224 . . . . 10.77 110.994 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 58.0 61.72 2.28 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.349 0.595 . . . . 8.07 110.194 -179.286 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.41 ' HB2' ' HG3' ' A' ' 21' ' ' GLU . 1.0 OUTLIER -65.99 143.69 57.21 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.203 -0.908 . . . . 10.11 110.579 -179.415 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.528 ' HB3' ' HE2' ' A' ' 58' ' ' PHE . 61.8 mttm -57.6 -33.85 68.63 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.094 -0.503 . . . . 10.66 111.666 -179.257 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.4 pm0 -68.94 -35.86 77.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.479 -0.328 . . . . 11.43 111.01 179.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.41 ' HG3' ' HB2' ' A' ' 18' ' ' SER . 48.3 mt-10 -65.85 -46.23 79.26 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 109.441 -0.577 . . . . 8.91 109.441 179.422 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 40.6 mt -61.49 -47.21 94.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.325 -0.852 . . . . 6.35 110.078 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.57 -42.09 91.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.072 -0.513 . . . . 7.12 110.812 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.09 -43.38 98.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.991 -0.549 . . . . 7.6 110.591 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 39.5 mt -67.24 -35.48 79.65 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.385 -0.37 . . . . 5.59 110.927 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 92.9 mt -65.82 -51.5 60.89 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 CA-C-N 116.184 -0.462 . . . . 4.33 110.527 179.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.2 m -66.27 -33.13 61.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 C-N-CA 121.005 -0.278 . . . . 6.96 111.064 179.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -66.65 -36.89 83.64 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.292 -0.632 . . . . 7.34 109.292 178.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.45 ' O ' HG13 ' A' ' 33' ' ' ILE . 57.2 t80 -62.28 -49.92 73.74 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.656 -0.702 . . . . 5.51 110.01 178.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -60.53 -40.64 92.23 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.178 -0.465 . . . . 6.35 110.422 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.494 ' O ' ' HG2' ' A' ' 35' ' ' GLU . 43.3 m -63.52 -42.75 98.45 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.803 -0.635 . . . . 8.01 110.456 179.288 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 39.1 m -59.91 -34.35 73.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.099 0.476 . . . . 8.27 110.365 179.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.45 HG13 ' O ' ' A' ' 29' ' ' TYR . 79.5 mt -67.81 -48.04 77.19 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 CA-C-N 115.896 -0.593 . . . . 8.37 110.743 179.582 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 35.1 m -72.22 -22.42 20.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 N-CA-C 112.336 0.495 . . . . 9.63 112.336 -179.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.494 ' HG2' ' O ' ' A' ' 31' ' ' SER . 31.8 mm-40 -57.65 -52.69 64.38 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.397 0.617 . . . . 10.98 110.288 178.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 24.7 pttt -97.48 5.83 49.08 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.726 -0.67 . . . . 11.09 110.631 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 37.9 tttm 55.16 55.91 7.07 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.701 -0.681 . . . . 11.72 111.223 -179.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -92.1 36.03 0.98 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.595 -0.73 . . . . 9.58 109.738 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 16.4 tt -162.32 156.1 2.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.443 -0.799 . . . . 9.5 110.088 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.95 152.58 41.33 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.082 -0.508 . . . . 9.96 110.54 179.604 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -56.63 -35.77 68.7 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.185 -0.461 . . . . 11.9 111.845 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -61.52 -44.88 96.26 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 109.835 -0.432 . . . . 10.3 109.835 179.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.46 -37.72 58.38 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.85 -0.614 . . . . 8.47 111.65 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.28 -35.61 77.8 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 121.049 0.452 . . . . 8.42 110.213 179.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -60.47 -45.01 95.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.797 -0.638 . . . . 9.73 109.763 179.171 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.5 m -65.56 -31.12 72.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.75 -0.659 . . . . 7.86 110.634 178.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 78.3 mt -70.74 -33.45 70.85 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.87 0.367 . . . . 6.77 110.326 179.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -60.17 -34.97 74.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.933 -0.576 . . . . 9.39 111.248 179.65 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.563 HG21 HD13 ' C' ' 66' ' ' LEU . 5.1 p -89.86 -38.73 11.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.403 -0.362 . . . . 9.6 111.119 179.414 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.63 -50.84 71.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.666 -0.243 . . . . 7.62 111.193 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 27.8 ttm -58.39 -37.0 74.4 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.412 0.625 . . . . 8.19 110.364 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -67.67 -42.52 82.02 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.154 -0.93 . . . . 11.12 110.522 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.463 ' HB2' ' HB2' ' B' ' 50' ' ' ALA . 79.4 m -65.52 -37.34 86.47 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.1 -0.5 . . . . 9.77 110.796 179.509 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 84.2 mt -63.05 -41.8 94.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.149 0.5 . . . . 9.06 109.785 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.537 ' HA ' ' CE1' ' A' ' 60' ' ' PHE . 16.6 m -59.2 -53.35 59.28 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.473 -0.785 . . . . 10.96 111.719 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -65.69 -35.95 82.23 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 112.101 0.408 . . . . 12.89 112.101 -179.083 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.52 -36.46 83.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.457 -0.338 . . . . 11.68 111.799 -179.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.528 ' HE2' ' HB3' ' A' ' 19' ' ' LYS . 57.8 m-85 -91.86 -2.88 56.65 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.803 0.335 . . . . 11.93 111.866 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.66 30.51 68.5 Favored Glycine 0 CA--C 1.519 0.3 0 C-N-CA 121.161 -0.543 . . . . 13.13 113.618 179.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.537 ' CE1' ' HA ' ' A' ' 55' ' ' SER . 7.5 p90 -128.99 145.32 51.27 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.875 0.337 . . . . 12.01 110.206 179.649 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.499 ' HG3' ' HB2' ' A' ' 64' ' ' ALA . 4.4 pt-20 -83.36 144.41 29.68 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.905 0.383 . . . . 14.85 111.412 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 27.0 ttp180 -58.03 -32.93 68.44 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.565 -0.743 . . . . 11.66 111.585 -179.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.72 2.21 23.63 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.713 0.634 . . . . 13.0 112.713 -179.239 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.499 ' HB2' ' HG3' ' A' ' 61' ' ' GLU . . . -105.0 3.09 30.23 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.809 0.338 . . . . 12.82 111.301 -179.722 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.3 p -58.53 -39.78 76.58 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 CA-C-N 116.262 -0.426 . . . . 10.88 111.331 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.38 -37.41 86.9 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.108 -0.497 . . . . 12.04 110.822 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -69.29 -45.44 61.04 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.928 -0.653 . . . . 12.77 111.758 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 87.3 mt -61.87 -47.53 92.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.745 0.307 . . . . 11.54 110.621 179.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 89.6 mt -63.58 -37.83 88.83 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.46 -0.337 . . . . 10.42 111.217 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -65.15 -31.56 81.12 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 121.092 -0.575 . . . . 12.46 113.261 -179.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -96.13 8.36 44.01 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.131 0.419 . . . . 14.12 112.131 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 19.4 m -118.03 170.2 9.04 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.587 -0.278 . . . . 10.83 110.436 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.551 ' HG3' ' HB3' ' A' ' 14' ' ' MET . 17.2 mm-40 -71.95 -23.54 61.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.887 0.375 . . . . 10.68 111.422 -179.371 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -82.43 39.41 0.6 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.207 -0.451 . . . . 8.37 112.05 -178.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 12.2 ptmt -87.15 120.61 28.61 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.989 0.423 . . . . 12.83 111.009 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 90.17 12.78 61.26 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.971 -0.633 . . . . 9.82 112.168 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -125.71 159.01 33.38 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.852 0.358 . . . . 8.93 110.649 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 4.3 m80 -122.11 158.43 29.3 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.075 -0.713 . . . . 8.72 109.075 179.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 20.8 tp -58.19 -31.66 67.51 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.809 0.338 . . . . 4.7 111.518 -179.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.31 -58.7 5.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.089 -0.505 . . . . 5.96 111.549 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -60.87 -37.89 83.69 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 112.612 0.597 . . . . 7.82 112.612 -179.371 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.79 -47.86 89.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.887 0.375 . . . . 5.79 110.469 179.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.9 mp -72.31 -23.98 61.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 5.97 110.885 179.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.413 ' OD1' ' HA ' ' B' ' 16' ' ' SER . 25.4 t30 -71.61 -33.97 69.44 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.202 -0.454 . . . . 9.2 110.272 179.422 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 11.1 m -82.17 -9.19 59.6 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.645 -0.707 . . . . 7.98 110.744 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -69.03 96.8 0.81 Allowed 'General case' 0 C--O 1.237 0.426 0 CA-C-O 121.329 0.585 . . . . 7.06 111.091 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 12.8 m -86.78 108.39 18.69 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.578 -0.737 . . . . 9.21 109.87 179.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -125.4 127.35 46.42 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.081 -0.509 . . . . 9.55 109.98 -179.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 13.3 t -106.52 116.64 58.73 Favored Pre-proline 0 C--N 1.319 -0.738 0 N-CA-C 109.663 -0.495 . . . . 12.15 109.663 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_exo -71.61 73.48 2.3 Favored 'Trans proline' 0 C--O 1.233 0.256 0 C-N-CA 123.174 2.583 . . . . 12.82 112.195 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -80.07 90.7 5.43 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.026 -0.534 . . . . 14.19 110.929 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 40.4 m . . . . . 0 C--O 1.248 0.987 0 N-CA-C 109.208 -0.664 . . . . 15.67 109.208 179.766 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' MET . . . . . 0.545 ' HB3' ' OE2' ' B' ' 73' ' ' GLU . 50.0 ttp . . . . . 0 N--CA 1.48 1.061 0 CA-C-O 120.641 0.258 . . . . 11.23 110.855 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . 0.44 ' HG2' ' OE2' ' B' ' 73' ' ' GLU . 94.3 mmm -80.97 53.83 2.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.713 -0.221 . . . . 13.11 110.968 179.666 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . 0.413 ' HA ' ' OD1' ' A' ' 84' ' ' ASN . 14.7 m 62.95 101.12 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.066 -0.515 . . . . 11.45 111.214 -178.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.61 103.7 0.22 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.043 -0.526 . . . . 8.27 111.286 -179.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 1.4 m -78.41 163.52 25.56 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.692 -0.686 . . . . 9.28 110.684 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -59.67 -43.87 93.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.287 -0.415 . . . . 8.44 111.339 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 6.9 pm0 -63.76 -36.19 83.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.288 -0.414 . . . . 9.58 111.295 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -69.64 -44.35 70.8 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.109 -0.496 . . . . 8.61 110.707 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 90.3 mt -65.53 -43.58 94.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.144 -0.48 . . . . 4.87 110.129 179.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.0 -38.48 82.72 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.889 -0.596 . . . . 4.42 110.951 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.76 -39.58 89.29 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.346 -0.388 . . . . 5.79 110.678 179.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 77.7 mt -71.42 -34.94 70.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 4.52 110.403 179.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 97.9 mt -64.61 -51.13 71.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.934 -0.576 . . . . 4.37 110.526 179.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 30.6 m -66.78 -31.77 55.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.546 -0.297 . . . . 6.25 110.86 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -64.29 -42.49 96.38 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.56 -0.533 . . . . 6.91 109.56 178.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -61.34 -47.96 83.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.572 -0.74 . . . . 7.07 110.332 179.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 19.9 m-30 -62.18 -39.13 91.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.276 -0.42 . . . . 8.36 110.894 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 41.3 m -65.98 -33.87 76.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.077 -0.511 . . . . 9.5 110.515 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 33.6 m -70.05 -24.07 63.2 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.099 0.476 . . . . 9.77 110.919 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.753 HG23 ' HB2' ' B' ' 38' ' ' GLU . 91.3 mt -77.23 -46.85 27.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.969 -0.56 . . . . 11.09 110.03 179.528 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 35.5 m -80.33 -2.91 5.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.008 -0.542 . . . . 12.38 111.368 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.02 -41.83 34.46 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.738 -0.665 . . . . 13.19 110.789 179.508 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 10.3 pttm -115.01 8.44 15.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.482 -0.326 . . . . 13.7 111.528 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 21.1 ttmm 60.91 67.14 0.84 Allowed 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.513 -0.767 . . . . 15.86 112.006 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . 0.753 ' HB2' HG23 ' B' ' 33' ' ' ILE . 50.7 mt-10 -86.51 -20.74 27.59 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.999 -0.546 . . . . 12.56 110.348 179.203 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . 0.49 HG13 ' H ' ' B' ' 40' ' ' SER . 7.9 tp -116.01 169.89 6.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.144 -0.48 . . . . 13.67 110.744 -179.202 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . 0.49 ' H ' HG13 ' B' ' 39' ' ' ILE . 5.6 p -72.29 168.16 18.91 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.878 0.37 . . . . 15.14 111.378 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.7 -32.14 73.17 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.855 0.687 . . . . 16.66 112.855 -179.271 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . 0.523 ' HB3' ' HB2' ' C' ' 29' ' ' ALA . 20.4 p-10 -74.64 -42.07 59.21 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.742 -0.383 . . . . 15.52 110.506 179.236 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.43 -35.6 91.57 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.792 -0.718 . . . . 13.17 111.416 178.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.06 -32.01 73.51 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.813 0.339 . . . . 12.42 110.798 179.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -67.5 -49.32 63.99 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.386 -0.598 . . . . 13.38 109.386 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 3.6 m -61.15 -40.56 94.3 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.81 -0.632 . . . . 11.72 110.655 179.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 47.1 mt -62.13 -37.33 84.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.247 -0.433 . . . . 9.64 110.758 179.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -65.32 -36.64 84.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.072 -0.513 . . . . 11.12 109.845 179.537 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 98.7 t -70.07 -48.63 61.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.048 -0.524 . . . . 10.04 109.719 179.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . 0.463 ' HB2' ' HB2' ' A' ' 53' ' ' CYS . . . -60.54 -36.23 77.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.993 -0.549 . . . . 8.26 110.923 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' MET . . . . . 0.613 ' SD ' ' HD3' ' B' ' 62' ' ' ARG . 43.9 ttm -55.62 -41.18 73.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.101 -0.5 . . . . 7.93 110.931 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -72.73 -46.04 55.59 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.834 -0.621 . . . . 9.48 110.554 179.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' CYS . . . . . 0.427 ' SG ' ' HA2' ' C' ' 69' ' ' GLY . 27.6 m -57.1 -42.74 81.36 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.703 -0.68 . . . . 8.11 111.66 -179.705 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 95.2 mt -66.7 -43.77 89.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.84 0.352 . . . . 6.13 110.668 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . 0.418 ' HB3' ' O ' ' B' ' 60' ' ' PHE . 49.2 m -58.22 -52.3 66.17 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.989 -0.55 . . . . 7.39 112.167 -179.35 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -67.99 -31.52 71.28 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.237 0.458 . . . . 8.81 112.237 -179.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.54 -46.45 85.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.846 0.355 . . . . 7.38 111.422 -179.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -81.86 -22.02 37.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 8.09 111.848 -179.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.83 56.39 1.52 Allowed Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.704 -0.76 . . . . 9.43 113.141 179.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . 0.418 ' O ' ' HB3' ' B' ' 55' ' ' SER . 21.3 p90 -161.68 170.29 19.98 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.825 -0.435 . . . . 8.7 109.825 179.074 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -119.39 147.12 44.72 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.766 0.317 . . . . 11.16 110.783 179.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . 0.613 ' HD3' ' SD ' ' B' ' 51' ' ' MET . 49.8 ttp180 -57.06 -34.95 68.78 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.667 -0.697 . . . . 10.74 111.554 -179.478 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 18.9 mp0 -69.22 -5.14 20.85 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.53 0.567 . . . . 11.8 112.53 -179.143 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -116.0 13.86 15.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.756 0.312 . . . . 10.53 111.204 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 8.1 p -64.93 -31.42 53.82 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 CA-C-N 116.446 -0.343 . . . . 9.11 111.852 -179.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 1.7 m -67.19 -32.37 73.4 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 121.032 0.444 . . . . 10.71 110.989 -179.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -71.96 -28.28 68.94 Favored Glycine 0 N--CA 1.451 -0.351 0 N-CA-C 111.729 -0.548 . . . . 11.05 111.729 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 59.4 mt -81.27 -53.22 12.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.949 0.404 . . . . 9.74 109.996 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 78.4 mt -61.31 -33.15 73.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.067 -0.515 . . . . 9.17 111.675 -179.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -79.05 -10.9 85.72 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.987 -0.625 . . . . 11.56 112.271 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -98.14 -39.21 9.0 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.233 0.54 . . . . 12.46 110.048 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 68.9 m -79.05 168.79 19.17 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.625 -0.716 . . . . 9.82 110.938 179.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.545 ' OE2' ' HB3' ' B' ' 14' ' ' MET . 1.3 mt-10 -80.8 14.59 2.1 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.033 -0.531 . . . . 10.24 111.219 -179.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -97.71 7.38 46.53 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.938 0.399 . . . . 7.68 110.946 -179.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 11.3 ptmt -65.19 122.69 17.68 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.953 -0.567 . . . . 11.56 110.992 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 89.0 10.45 66.44 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.706 -0.759 . . . . 8.65 111.567 -179.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -125.31 159.38 31.86 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.939 0.399 . . . . 7.58 110.267 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 36.2 m80 -125.63 156.92 38.45 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.038 -0.727 . . . . 7.9 109.038 179.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 27.0 tp -57.34 -45.17 84.56 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.844 0.354 . . . . 4.14 111.274 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.52 -35.72 79.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 5.79 111.079 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -63.12 -40.78 98.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.918 -0.583 . . . . 6.75 111.373 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 82.6 mt -70.43 -42.68 78.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.969 -0.56 . . . . 4.76 111.26 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 6.9 mp -64.95 -24.44 67.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.019 0.437 . . . . 5.48 111.66 -179.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 28.2 t30 -75.27 -42.6 54.64 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.068 -0.514 . . . . 7.63 110.943 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.85 -48.72 10.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.027 -0.533 . . . . 6.84 112.06 -178.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -76.33 93.06 3.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.194 0.521 . . . . 6.55 110.941 -179.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 87' ' ' SER . . . . . 0.739 ' HG ' ' N ' ' A' ' 14' ' ' MET . 22.0 m -129.85 160.4 33.63 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.011 -0.541 . . . . 8.4 110.931 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 55.8 mtp180 -136.59 156.2 48.89 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.337 -0.392 . . . . 10.35 109.971 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 46.9 t -85.7 118.21 70.18 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 116.282 -0.417 . . . . 11.96 110.147 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -60.45 107.96 0.48 Allowed 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 123.034 2.49 . . . . 13.1 112.556 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.414 ' HA ' ' OE1' ' B' ' 91' ' ' GLU . 2.4 tp10 -80.2 94.76 6.11 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.064 -0.516 . . . . 14.34 110.56 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 51.1 m . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.285 -0.864 . . . . 16.55 109.68 179.852 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 24.6 t . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.446 -0.576 . . . . 9.95 109.446 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 21' ' ' HIS . . . . . . . . . . . . . 50.1 t60 -76.33 123.86 26.6 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.884 -0.598 . . . . 9.34 110.923 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 22' ' ' LEU . . . . . . . . . . . . . 92.7 mt -133.92 139.67 46.3 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.123 -0.489 . . . . 6.88 110.8 179.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 23' ' ' THR . . . . . 0.714 HG23 ' HG2' ' C' ' 35' ' ' GLU . 5.7 m -105.13 117.56 34.31 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.077 -0.712 . . . . 8.91 109.077 179.281 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 24' ' ' LEU . . . . . 0.48 HD23 ' HB ' ' C' ' 90' ' ' ILE . 31.3 mt -97.14 119.29 35.35 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.832 -0.167 . . . . 8.66 110.929 -179.028 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 25' ' ' LYS . . . . . 0.479 ' HA ' ' O ' ' C' ' 32' ' ' PHE . 29.1 tttt -129.36 130.47 46.09 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 123.266 0.354 . . . . 13.38 111.395 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 26' ' ' LYS . . . . . 0.4 ' HA ' ' O ' ' C' ' 92' ' ' VAL . 26.8 ttpp -94.54 136.9 34.32 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.999 -0.371 . . . . 14.09 109.999 179.28 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 27' ' ' ILE . . . . . . . . . . . . . 9.1 pt -83.31 -38.63 14.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 112.165 0.432 . . . . 14.88 112.165 -179.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 15.0 mp0 -69.46 133.85 48.23 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.776 -0.193 . . . . 15.23 110.673 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . 0.523 ' HB2' ' HB3' ' B' ' 42' ' ' ASP . . . -69.18 142.45 92.78 Favored Pre-proline 0 C--N 1.33 -0.28 0 O-C-N 123.157 0.286 . . . . 18.5 110.445 179.342 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 30' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -75.03 140.8 69.31 Favored 'Cis proline' 0 C--N 1.343 0.243 0 C-N-CA 123.341 -1.525 . . . . 17.48 112.017 -0.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 31' ' ' LYS . . . . . 0.41 ' CE ' ' HA ' ' B' ' 42' ' ' ASP . 89.2 mttt -83.44 150.63 25.91 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.503 -0.317 . . . . 17.53 111.218 -179.405 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 32' ' ' PHE . . . . . 0.479 ' O ' ' HA ' ' C' ' 25' ' ' LYS . 17.8 p90 -150.21 147.76 28.09 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.896 -0.593 . . . . 13.5 109.812 178.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 33' ' ' SER . . . . . . . . . . . . . 15.0 m -131.93 101.16 5.32 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.427 -0.351 . . . . 12.36 110.281 179.174 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . 0.421 HG12 ' HE1' ' C' ' 32' ' ' PHE . 42.7 pt -108.03 149.23 11.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.477 -0.329 . . . . 10.72 110.114 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 35' ' ' GLU . . . . . 0.714 ' HG2' HG23 ' C' ' 23' ' ' THR . 6.3 mt-10 -121.31 144.45 48.63 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.113 0.482 . . . . 10.54 111.343 -179.398 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 36' ' ' HIS . . . . . . . . . . . . . 16.2 t60 -159.01 157.7 31.75 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.833 -0.621 . . . . 9.85 109.921 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -112.78 113.54 25.68 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.938 0.399 . . . . 9.77 109.996 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 38' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -97.7 177.51 5.46 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.156 -0.474 . . . . 9.82 110.728 -179.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -96.25 153.84 38.91 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 116.36 -0.382 . . . . 11.97 110.07 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -66.15 -23.53 52.77 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.387 2.058 . . . . 12.89 111.387 179.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.33 -5.12 59.25 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.676 -0.693 . . . . 14.42 111.542 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 42' ' ' ASP . . . . . 0.452 ' O ' ' HG ' ' C' ' 78' ' ' LEU . 13.9 m-20 -77.0 159.65 29.75 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 120.908 0.385 . . . . 11.77 110.421 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 74.1 p -115.86 174.2 6.15 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.43 -0.581 . . . . 11.4 109.43 179.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 44' ' ' ILE . . . . . 0.491 HG23 HD12 ' C' ' 65' ' ' LEU . 47.7 mm -62.27 -29.99 47.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.12 0.486 . . . . 7.86 110.044 179.217 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 45.4 tp -62.44 -36.2 81.64 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 115.766 -0.652 . . . . 12.88 110.711 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 46' ' ' GLN . . . . . 0.436 ' HA ' ' OE1' ' C' ' 49' ' ' GLN . 1.4 mp0 -63.08 -36.79 84.75 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.35 -0.386 . . . . 12.18 110.704 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 60.7 mt -65.77 -42.94 93.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 109.361 -0.607 . . . . 8.04 109.361 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -61.75 -45.39 94.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.516 -0.766 . . . . 10.51 110.411 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . 0.436 ' OE1' ' HA ' ' C' ' 46' ' ' GLN . 73.3 mt-30 -61.26 -34.66 75.54 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.194 -0.457 . . . . 13.94 110.664 179.579 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 50' ' ' HIS . . . . . 0.602 ' O ' ' HG2' ' C' ' 54' ' ' GLU . 11.0 t60 -73.39 -30.71 63.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.031 -0.531 . . . . 11.16 111.343 -179.545 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 30.9 mt -66.68 -27.38 67.61 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.975 0.417 . . . . 12.37 111.025 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 52' ' ' ILE . . . . . . . . . . . . . 56.2 mt -73.98 -40.94 52.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.117 -0.492 . . . . 15.35 110.542 179.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 3.7 p -67.75 -27.53 66.86 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.945 0.403 . . . . 15.02 111.208 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 54' ' ' GLU . . . . . 0.602 ' HG2' ' O ' ' C' ' 50' ' ' HIS . 6.6 mm-40 -86.61 8.88 20.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.357 -0.383 . . . . 14.38 110.077 179.352 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 58.73 36.44 24.87 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 115.569 -0.741 . . . . 18.85 112.778 179.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 41.5 mmtm -103.9 -10.32 18.26 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.518 -0.31 . . . . 14.47 111.244 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.63 169.28 21.94 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 116.418 -0.355 . . . . 15.28 110.358 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 58' ' ' SER . . . . . . . . . . . . . 41.3 t -113.44 -44.45 3.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.825 0.345 . . . . 17.75 110.934 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 59' ' ' HIS . . . . . 0.66 ' HB2' ' HG3' ' C' ' 62' ' ' GLU . 97.6 m-70 -125.93 154.01 43.43 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.34 -0.391 . . . . 19.22 111.257 -179.646 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 60' ' ' ILE . . . . . 0.412 ' HA ' HD12 ' C' ' 63' ' ' ILE . 35.0 mm -66.27 -36.88 78.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.856 -0.611 . . . . 13.8 110.096 179.34 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.04 -21.95 66.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.516 -0.766 . . . . 14.67 112.066 -179.304 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 62' ' ' GLU . . . . . 0.66 ' HG3' ' HB2' ' C' ' 59' ' ' HIS . 68.1 mt-10 -78.76 -28.53 44.79 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.332 -0.395 . . . . 16.71 110.621 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 63' ' ' ILE . . . . . 0.412 HD12 ' HA ' ' C' ' 60' ' ' ILE . 17.8 mt -78.69 108.82 12.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 113.184 0.809 . . . . 10.79 113.184 -177.459 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 64' ' ' LYS . . . . . 0.804 ' HB3' ' HB2' ' C' ' 93' ' ' MET . 79.2 tttt -113.9 111.2 21.33 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.059 -1.089 . . . . 9.73 108.059 178.478 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 65' ' ' LEU . . . . . 0.491 HD12 HG23 ' C' ' 44' ' ' ILE . 86.5 mt -102.13 150.24 23.47 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.912 0.386 . . . . 5.89 111.852 -178.665 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 66' ' ' LEU . . . . . 0.563 HD13 HG21 ' A' ' 49' ' ' VAL . 0.7 OUTLIER -139.94 146.22 38.9 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.073 -0.512 . . . . 7.57 111.202 179.759 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 67' ' ' LEU . . . . . 0.429 ' N ' ' HG ' ' C' ' 66' ' ' LEU . 69.2 tp -137.43 90.7 2.53 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.774 -0.648 . . . . 7.44 109.792 178.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 68' ' ' LYS . . . . . 0.426 ' HB3' ' HE3' ' C' ' 68' ' ' LYS . 0.0 OUTLIER 59.31 73.53 0.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.786 -0.643 . . . . 12.88 111.938 179.586 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 69' ' ' GLY . . . . . 0.427 ' HA2' ' SG ' ' B' ' 53' ' ' CYS . . . 75.71 -42.35 1.52 Allowed Glycine 0 CA--C 1.523 0.557 0 N-CA-C 114.378 0.511 . . . . 8.93 114.378 179.126 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 70' ' ' LYS . . . . . 0.828 ' HE3' ' HA ' ' C' ' 70' ' ' LYS . 0.0 OUTLIER -78.17 138.14 38.54 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.885 0.374 . . . . 9.44 111.857 -179.42 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 71' ' ' VAL . . . . . . . . . . . . . 94.3 t -85.48 130.07 36.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.044 -0.526 . . . . 7.05 109.645 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 72' ' ' LEU . . . . . 0.47 ' HB2' ' HB2' ' C' ' 65' ' ' LEU . 69.3 mt -80.91 100.81 9.08 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.14 0.495 . . . . 5.9 110.465 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 73' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -82.53 153.37 25.58 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.524 -0.762 . . . . 8.93 110.374 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -56.56 -39.33 73.26 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.965 0.412 . . . . 9.91 111.187 -179.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 75' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -80.84 66.15 6.25 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.697 -0.683 . . . . 13.36 111.002 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 76' ' ' LEU . . . . . . . . . . . . . 63.8 tp -157.16 132.34 9.01 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.647 -0.706 . . . . 9.58 109.862 179.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -88.3 146.96 25.02 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.254 -0.43 . . . . 14.32 110.824 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 78' ' ' LEU . . . . . 0.711 ' HA ' ' HG ' ' C' ' 81' ' ' LEU . 17.4 mt -69.37 -12.54 61.75 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.149 -0.478 . . . . 9.53 111.297 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 79' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.24 -10.11 59.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.983 0.42 . . . . 12.75 111.052 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 80' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -112.13 8.8 20.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.429 0.633 . . . . 12.44 110.41 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 81' ' ' LEU . . . . . 0.711 ' HG ' ' HA ' ' C' ' 78' ' ' LEU . 14.9 mt -73.87 124.09 25.47 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.036 -0.529 . . . . 10.15 110.553 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 82' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -82.63 64.61 7.35 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.219 0.533 . . . . 12.59 110.324 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 11.9 m -105.39 137.62 34.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.784 -0.643 . . . . 11.5 111.361 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 84' ' ' THR . . . . . 0.653 ' HB ' ' HD2' ' C' ' 85' ' ' PRO . 19.5 p -134.89 175.35 3.7 Favored Pre-proline 0 C--N 1.321 -0.666 0 N-CA-C 108.957 -0.757 . . . . 13.96 108.957 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 85' ' ' PRO . . . . . 0.653 ' HD2' ' HB ' ' C' ' 84' ' ' THR . 76.6 Cg_exo -53.31 -28.47 43.27 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 122.468 2.112 . . . . 14.91 112.014 178.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -80.39 -61.83 1.86 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.952 0.406 . . . . 15.11 110.566 179.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 87' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -101.36 87.47 3.22 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.054 0.454 . . . . 12.35 111.959 -179.678 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 88' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -121.1 8.99 10.42 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.817 -0.629 . . . . 10.32 110.033 179.397 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 89' ' ' THR . . . . . . . . . . . . . 2.4 m -99.21 131.94 44.88 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.627 -0.715 . . . . 9.82 111.233 -179.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 90' ' ' ILE . . . . . 0.48 ' HB ' HD23 ' C' ' 24' ' ' LEU . 46.8 mm -104.0 131.24 53.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 109.185 -0.672 . . . . 6.59 109.185 179.679 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 91' ' ' THR . . . . . 0.427 ' HB ' ' HB3' ' C' ' 66' ' ' LEU . 7.3 m -82.71 123.66 29.5 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.848 0.356 . . . . 8.75 110.885 -179.741 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 92' ' ' VAL . . . . . 0.4 ' O ' ' HA ' ' C' ' 26' ' ' LYS . 29.1 t -106.05 127.99 60.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.007 -0.542 . . . . 9.58 110.475 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 93' ' ' MET . . . . . 0.804 ' HB2' ' HB3' ' C' ' 64' ' ' LYS . 79.8 mtp -125.21 145.64 49.88 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.125 -0.695 . . . . 10.9 109.125 178.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 94' ' ' ILE . . . . . 0.507 ' HA ' ' O ' ' C' ' 62' ' ' GLU . 74.3 mt -124.59 120.96 60.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 123.222 0.326 . . . . 13.44 110.445 179.326 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 95' ' ' LYS . . . . . 0.43 ' O ' ' HA ' ' C' ' 62' ' ' GLU . 16.4 mmtp -134.97 139.4 31.99 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 116.203 -0.453 . . . . 14.6 111.15 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 96' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -75.11 92.07 1.01 Allowed 'Trans proline' 0 N--CA 1.462 -0.359 0 C-N-CA 122.359 2.039 . . . . 17.56 111.954 179.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 4.8 t30 75.22 93.2 0.05 OUTLIER Pre-proline 0 C--O 1.246 0.902 0 CA-C-N 115.605 -0.725 . . . . 18.17 111.764 179.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 98' ' ' PRO . . . . . . . . . . . . . . . . . . . . 1 C--N 1.251 -4.571 0 O-C-N 122.702 0.843 . . . . 15.75 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.688 ' N ' ' HG ' ' B' ' 87' ' ' SER . 30.7 ttm . . . . . 0 N--CA 1.482 1.169 0 CA-C-O 120.804 0.335 . . . . 10.47 111.224 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 23.4 mmt -85.87 -69.59 0.65 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.35 -0.387 . . . . 11.61 111.528 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.9 m -146.3 -36.09 0.26 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.628 0.603 . . . . 10.77 112.628 -179.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 61.96 53.81 2.96 Favored 'General case' 0 N--CA 1.462 0.148 0 N-CA-C 108.417 -0.957 . . . . 8.07 108.417 -178.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.5 m -71.74 167.17 20.46 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.388 -1.278 . . . . 10.11 112.262 -178.29 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 18.3 mtmm -56.1 -42.63 77.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.626 -0.716 . . . . 10.66 112.138 -179.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.8 pm0 -67.45 -35.61 79.54 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.571 0.224 . . . . 11.43 111.181 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -68.32 -43.17 78.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.106 0.479 . . . . 8.91 110.139 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 87.2 mt -69.03 -42.52 82.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.719 -0.673 . . . . 6.35 110.428 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.53 -39.24 79.59 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.272 -0.422 . . . . 7.12 110.946 179.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.89 -39.74 90.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.849 -0.614 . . . . 7.6 110.502 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 77.6 mt -68.51 -38.76 81.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.435 . . . . 5.59 110.644 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 88.1 mt -61.41 -52.97 54.93 Favored 'Isoleucine or valine' 0 C--O 1.236 0.351 0 CA-C-N 115.75 -0.659 . . . . 4.33 110.428 179.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 26.9 m -66.94 -32.5 58.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.406 -0.361 . . . . 6.96 110.973 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 32.5 t30 -61.27 -43.92 98.09 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.962 0.411 . . . . 7.34 109.901 178.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.45 ' O ' HG13 ' A' ' 33' ' ' ILE . 22.0 t80 -63.71 -49.56 72.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.022 -0.535 . . . . 5.51 110.247 179.377 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -58.0 -43.14 86.47 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.31 -0.404 . . . . 6.35 110.909 179.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 46.8 m -61.8 -43.05 99.61 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.989 -0.55 . . . . 8.01 110.408 179.29 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.547 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 19.7 m -64.24 -34.3 77.79 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.221 -0.445 . . . . 8.27 110.708 179.634 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.45 HG13 ' O ' ' A' ' 29' ' ' TYR . 96.8 mt -62.18 -48.18 89.63 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 CA-C-N 116.221 -0.445 . . . . 8.37 111.234 179.521 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 22.0 m -73.69 -27.53 23.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 112.141 0.423 . . . . 9.63 112.141 -179.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -63.87 -39.12 93.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.753 0.311 . . . . 10.98 111.797 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.547 ' HG2' ' O ' ' A' ' 32' ' ' SER . 18.6 pttt -106.45 11.17 31.06 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.813 0.301 . . . . 11.09 111.813 -179.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 34.7 tttm 53.38 61.72 3.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.983 -0.553 . . . . 11.72 112.064 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -95.45 7.25 46.78 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.937 -0.574 . . . . 9.58 110.63 179.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 16.3 tt -142.07 159.2 20.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.743 -0.662 . . . . 9.5 109.61 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.37 163.53 27.49 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.765 0.317 . . . . 9.96 110.954 -179.707 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.462 ' CD ' ' H ' ' A' ' 41' ' ' GLU . 16.6 mp0 -57.93 -38.87 76.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.261 0.553 . . . . 11.9 109.812 179.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -57.3 -44.81 84.42 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.084 -0.962 . . . . 10.3 110.933 179.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.05 -33.77 70.03 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 121.1 -0.571 . . . . 8.47 112.255 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.91 -33.92 76.81 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.145 0.498 . . . . 8.42 110.143 179.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -61.58 -46.33 90.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.488 -0.778 . . . . 9.73 110.189 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -65.82 -35.05 79.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.876 -0.602 . . . . 7.86 110.829 179.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 71.1 mt -66.69 -27.74 67.89 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 116.441 -0.345 . . . . 6.77 111.415 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -60.48 -29.95 69.38 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.008 -0.542 . . . . 9.39 111.271 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.51 HG11 HD22 ' C' ' 66' ' ' LEU . 7.2 p -102.31 -34.56 3.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 C-N-CA 120.709 -0.396 . . . . 9.6 111.505 179.329 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.547 ' HB2' ' HB2' ' B' ' 53' ' ' CYS . . . -59.55 -52.6 64.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.481 -0.327 . . . . 7.62 111.459 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 43.0 ttm -62.87 -37.24 86.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.123 0.487 . . . . 8.19 110.754 -179.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.404 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 36.8 t0 -63.29 -45.7 90.17 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.614 -0.721 . . . . 11.12 110.932 -179.579 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 83.5 m -64.55 -43.48 93.79 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.117 -0.492 . . . . 9.77 111.409 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 96.5 mt -59.37 -42.99 89.22 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-O 120.84 0.353 . . . . 9.06 110.916 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.514 ' HA ' ' CE1' ' A' ' 60' ' ' PHE . 18.4 m -57.81 -58.41 8.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.794 -0.639 . . . . 10.96 112.016 -179.333 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.404 ' HG2' ' O ' ' A' ' 52' ' ' ASP . 6.9 pt-20 -65.27 -31.64 72.89 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.846 0.684 . . . . 12.89 112.846 -178.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.59 -49.35 71.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.638 0.256 . . . . 11.68 111.203 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -76.42 -15.39 59.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.892 0.377 . . . . 11.93 111.47 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.26 32.11 20.86 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.759 -0.734 . . . . 13.13 112.887 179.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.514 ' CE1' ' HA ' ' A' ' 55' ' ' SER . 17.1 p90 -128.9 156.22 44.04 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.796 0.331 . . . . 12.01 110.611 179.602 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 74.3 mt-10 -96.16 142.76 27.96 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.581 -0.282 . . . . 14.85 110.704 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 43.4 ttp180 -58.71 -40.91 85.07 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.145 0.498 . . . . 11.66 110.787 179.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.9 -7.44 48.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.775 -0.648 . . . . 13.0 111.782 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -98.71 5.3 47.71 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 111.696 0.258 . . . . 12.82 111.696 -179.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 13.5 p -59.8 -36.72 67.89 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 CA-C-O 120.896 0.379 . . . . 10.88 111.173 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -65.32 -34.08 77.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.11 -0.496 . . . . 12.04 110.189 179.461 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -69.68 -48.75 40.84 Favored Glycine 0 N--CA 1.443 -0.879 0 CA-C-N 115.738 -0.665 . . . . 12.77 111.943 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 49.8 mt -60.05 -51.5 72.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.688 0.28 . . . . 11.54 110.905 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.561 ' O ' ' HB3' ' A' ' 75' ' ' LYS . 96.2 mt -62.67 -31.91 72.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.826 0.346 . . . . 10.42 111.296 -179.633 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -68.48 -33.03 76.04 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 121.032 -0.604 . . . . 12.46 113.355 -179.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.407 ' HE2' ' HB3' ' A' ' 71' ' ' LYS . 14.8 ptpt -94.75 -23.79 17.39 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.273 0.472 . . . . 14.12 112.273 -179.336 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 14.7 m -78.75 -179.58 6.6 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.921 0.391 . . . . 10.83 111.266 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -82.35 -30.36 30.43 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.059 -0.518 . . . . 10.68 111.344 -179.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -81.95 58.71 4.01 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.109 0.48 . . . . 8.37 111.572 -178.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.561 ' HB3' ' O ' ' A' ' 69' ' ' LEU . 11.5 ptmt -98.14 115.86 29.18 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.053 0.454 . . . . 12.83 111.154 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 90.51 17.37 52.75 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.805 -0.712 . . . . 9.82 111.755 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 25.4 mm-40 -127.56 130.4 49.02 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 110.189 -0.301 . . . . 8.93 110.189 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 48.7 m80 -88.58 160.71 17.31 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.372 -0.973 . . . . 8.72 108.372 178.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 27.4 tp -57.33 -37.95 73.34 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.046 0.45 . . . . 4.7 111.131 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.78 -35.67 77.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.982 -0.554 . . . . 5.96 111.421 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -60.46 -48.46 81.66 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.032 0.444 . . . . 7.82 110.822 -179.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 53.5 mt -64.03 -47.84 88.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.788 -0.642 . . . . 5.79 110.595 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.3 mp -63.12 -33.74 76.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.876 -0.602 . . . . 5.97 111.575 -179.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -74.09 -39.22 63.56 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.315 -0.402 . . . . 9.2 110.756 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 42.2 m -65.42 -34.78 79.1 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.19 0.519 . . . . 7.98 110.049 179.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -68.86 130.95 44.27 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.748 -0.66 . . . . 7.06 110.844 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.405 ' HB3' ' HB2' ' B' ' 14' ' ' MET . 15.4 m -119.57 101.02 7.63 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.942 -0.572 . . . . 9.21 110.21 179.635 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 88' ' ' ARG . 0.1 OUTLIER -91.13 118.13 30.18 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.069 -0.514 . . . . 9.55 111.248 -179.024 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 17.5 t -97.53 107.19 37.76 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 116.108 -0.496 . . . . 12.15 109.783 179.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -75.67 111.65 3.34 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.726 2.284 . . . . 12.82 111.417 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -128.97 74.2 1.56 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.981 0.419 . . . . 14.19 110.516 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.1 p . . . . . 0 C--O 1.247 0.951 0 CA-C-N 116.006 -0.543 . . . . 15.67 110.593 179.952 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' MET . . . . . 0.405 ' HB2' ' HB3' ' A' ' 87' ' ' SER . 42.9 ttp . . . . . 0 N--CA 1.485 1.325 0 CA-C-O 120.829 0.347 . . . . 11.23 111.491 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 22.3 mmt -94.54 29.89 2.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.549 -0.296 . . . . 13.11 111.291 -179.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 11.3 m 64.54 104.65 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.236 0 O-C-N 123.681 0.613 . . . . 11.45 111.429 -179.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.8 109.96 1.6 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.811 -0.631 . . . . 8.27 111.339 -179.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -86.74 160.31 18.86 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.035 -0.53 . . . . 9.28 110.191 179.642 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -52.06 -44.17 64.16 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 113.087 0.773 . . . . 8.44 113.087 -178.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 3.9 pm0 -64.85 -37.01 86.19 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.904 0.383 . . . . 9.58 111.423 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -71.15 -38.42 72.21 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.141 -0.481 . . . . 8.61 110.345 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 79.3 mt -67.55 -45.68 84.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.923 -0.581 . . . . 4.87 109.531 178.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.65 -36.24 78.21 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.847 -0.615 . . . . 4.42 110.681 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.15 -42.61 95.25 Favored 'General case' 0 CA--C 1.522 -0.134 0 CA-C-N 116.028 -0.533 . . . . 5.79 110.515 179.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 29.5 mt -69.61 -33.33 72.51 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.323 -0.399 . . . . 4.52 110.518 179.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 98.4 mt -64.68 -52.24 57.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.912 -0.585 . . . . 4.37 110.313 179.36 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 30.6 m -66.81 -33.52 63.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-O 120.758 0.313 . . . . 6.25 110.648 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -63.64 -43.1 97.81 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.279 -0.637 . . . . 6.91 109.279 178.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -60.96 -47.45 86.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.495 -0.775 . . . . 7.07 110.448 179.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 17.5 m-30 -61.89 -39.19 91.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.045 -0.525 . . . . 8.36 110.159 179.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . 0.532 ' HA ' HG22 ' B' ' 34' ' ' VAL . 30.9 m -64.87 -36.95 86.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.032 -0.531 . . . . 9.5 110.026 178.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . 0.473 ' HA ' ' HG2' ' B' ' 35' ' ' GLU . 14.4 m -65.33 -27.81 68.86 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.167 0.508 . . . . 9.77 110.244 179.243 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.853 HG23 ' HB2' ' B' ' 38' ' ' GLU . 97.4 mt -78.59 -42.13 25.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.724 -0.671 . . . . 11.09 110.789 179.791 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . 0.532 HG22 ' HA ' ' B' ' 31' ' ' SER . 31.1 m -77.91 -25.02 14.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 113.147 0.795 . . . . 12.38 113.147 -178.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.473 ' HG2' ' HA ' ' B' ' 32' ' ' SER . 8.9 pt-20 -67.18 -49.0 66.25 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.176 0.436 . . . . 13.19 112.176 -179.606 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 20.4 pttm -96.09 4.22 52.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.833 0.349 . . . . 13.7 111.892 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 23.3 ttmm 61.93 82.9 0.16 Allowed 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 113.888 1.07 . . . . 15.86 113.888 178.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . 0.853 ' HB2' HG23 ' B' ' 33' ' ' ILE . 39.7 mt-10 -111.15 5.96 20.42 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.378 0.609 . . . . 12.56 109.495 178.159 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 10.7 tp -140.97 153.13 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.567 -0.742 . . . . 13.67 110.09 -179.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 7.0 p -62.38 159.39 15.45 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.845 0.355 . . . . 15.14 111.115 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 24.1 mp0 -57.38 -34.03 68.43 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.138 -0.483 . . . . 16.66 112.101 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . 0.415 ' HA ' ' CE ' ' C' ' 31' ' ' LYS . 2.5 p-10 -75.55 -37.69 59.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.685 0.278 . . . . 15.52 110.89 179.479 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.36 -35.37 82.05 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.908 -0.663 . . . . 13.17 111.55 179.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.57 -34.14 77.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.746 0.307 . . . . 12.42 111.007 179.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.11 -49.31 72.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 13.38 109.943 179.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 7.4 m -61.76 -39.76 92.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.599 -0.728 . . . . 11.72 110.67 179.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 41.5 mt -66.92 -38.99 87.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.417 -0.356 . . . . 9.64 110.838 179.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -60.02 -54.34 47.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 11.12 110.854 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . 0.587 HG21 HG21 ' C' ' 91' ' ' THR . 10.0 p -65.83 -32.96 60.46 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 CA-C-N 116.327 -0.397 . . . . 10.04 111.295 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.95 -39.79 93.34 Favored 'General case' 0 N--CA 1.456 -0.128 0 N-CA-C 109.675 -0.491 . . . . 8.26 109.675 178.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 64.3 mtm -63.6 -38.48 91.3 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.793 -0.64 . . . . 7.93 109.803 179.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.06 -41.35 98.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.745 -0.661 . . . . 9.48 110.229 179.304 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' CYS . . . . . 0.547 ' HB2' ' HB2' ' A' ' 50' ' ' ALA . 33.7 m -59.68 -44.72 93.5 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.635 -0.711 . . . . 8.11 110.142 179.42 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 50.6 mt -67.07 -36.89 78.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.829 -0.623 . . . . 6.13 110.268 179.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . 0.448 ' HA ' ' CE1' ' B' ' 60' ' ' PHE . 29.9 m -61.25 -58.0 10.09 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 115.799 -0.637 . . . . 7.39 112.338 -179.485 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.74 -26.18 66.01 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.339 0.496 . . . . 8.81 112.339 -178.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.42 -41.6 93.39 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.797 0.332 . . . . 7.38 110.874 179.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -86.5 -23.0 26.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.894 0.378 . . . . 8.09 111.331 179.38 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.52 26.58 7.6 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.955 -0.64 . . . . 9.43 113.475 179.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . 0.448 ' CE1' ' HA ' ' B' ' 55' ' ' SER . 21.2 p90 -128.01 179.63 5.47 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 117.042 0.421 . . . . 8.7 111.38 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . 0.485 ' HG3' ' H ' ' B' ' 63' ' ' GLU . 8.5 tp10 -125.34 152.64 44.47 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.221 -0.445 . . . . 11.16 109.801 179.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 18.1 ttp-105 -62.8 -26.01 68.52 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.219 0.533 . . . . 10.74 111.249 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.485 ' H ' ' HG3' ' B' ' 61' ' ' GLU . 34.0 mm-40 -79.27 5.23 12.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.946 -0.57 . . . . 11.8 112.013 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -110.31 2.52 19.18 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.867 0.365 . . . . 10.53 111.009 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 11.3 p -58.31 -41.78 82.09 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 CA-C-N 116.202 -0.454 . . . . 9.11 111.84 -179.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.4 -34.9 79.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.053 0.454 . . . . 10.71 110.683 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.16 -37.11 72.12 Favored Glycine 0 N--CA 1.449 -0.463 0 CA-C-N 115.811 -0.631 . . . . 11.05 111.938 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 75.4 mt -69.45 -52.29 34.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.832 0.349 . . . . 9.74 110.794 179.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 83.2 mt -61.83 -32.98 73.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.042 -0.526 . . . . 9.17 111.014 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -65.92 -22.93 70.76 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 121.094 -0.574 . . . . 11.56 112.376 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -96.72 -53.96 3.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.847 0.356 . . . . 12.46 111.187 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 46.8 m -61.55 166.27 4.27 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.781 -0.645 . . . . 9.82 112.707 -178.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -69.98 -23.67 63.19 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.734 -0.666 . . . . 10.24 111.351 -179.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -78.05 81.08 4.46 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.809 -0.632 . . . . 7.68 111.078 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -135.85 139.34 43.34 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.995 -0.548 . . . . 11.56 109.817 179.129 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 80.05 -1.4 80.03 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.633 -0.794 . . . . 8.65 112.319 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 23.7 mm-40 -133.26 134.57 44.12 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.505 -0.554 . . . . 7.58 109.505 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 70.7 m80 -89.88 172.25 9.02 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.81 -0.441 . . . . 7.9 109.81 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 23.8 tp -57.98 -39.65 78.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.974 0.416 . . . . 4.14 110.915 179.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.29 -37.12 82.89 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.112 -0.494 . . . . 5.79 111.344 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -63.84 -46.79 83.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.614 -0.721 . . . . 6.75 111.06 -179.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 77.2 mt -70.48 -36.82 67.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.649 -0.705 . . . . 4.76 111.845 -179.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 3.5 mp -67.05 -39.12 86.86 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.477 0.547 . . . . 5.48 112.477 -179.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -79.72 -5.73 55.81 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.601 0.593 . . . . 7.63 112.601 -179.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.9 p -101.97 -49.1 4.04 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.982 0.42 . . . . 6.84 110.427 178.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -87.02 61.0 6.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.358 0.599 . . . . 6.55 110.544 179.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 87' ' ' SER . . . . . 0.688 ' HG ' ' N ' ' A' ' 14' ' ' MET . 5.4 m -89.0 142.42 27.65 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.697 -0.683 . . . . 8.4 111.154 -179.555 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 37.4 mmm-85 -103.93 148.93 25.59 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.08 -0.509 . . . . 10.35 109.711 179.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 89' ' ' VAL . . . . . 0.403 ' HA ' ' HD3' ' B' ' 90' ' ' PRO . 21.4 t -98.79 108.23 47.58 Favored Pre-proline 0 C--N 1.323 -0.564 0 N-CA-C 109.701 -0.481 . . . . 11.96 109.701 179.081 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 90' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' B' ' 89' ' ' VAL . 12.6 Cg_exo -70.63 110.14 2.66 Favored 'Trans proline' 0 N--CA 1.464 -0.264 0 C-N-CA 122.974 2.449 . . . . 13.1 111.769 -179.629 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -118.74 109.57 16.24 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.963 -0.562 . . . . 14.34 110.485 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 17.3 m . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.295 -0.859 . . . . 16.55 110.262 -179.724 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 40.5 t . . . . . 0 C--O 1.232 0.136 0 CA-C-O 121.289 0.566 . . . . 9.95 109.648 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 21' ' ' HIS . . . . . . . . . . . . . 27.7 t60 -80.16 115.63 19.83 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.523 -0.762 . . . . 9.34 110.456 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 22' ' ' LEU . . . . . . . . . . . . . 95.1 mt -125.08 145.22 50.03 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.871 0.367 . . . . 6.88 111.827 -179.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 23' ' ' THR . . . . . 0.706 ' HB ' HG23 ' C' ' 89' ' ' THR . 0.8 OUTLIER -101.45 141.65 34.0 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.957 -0.757 . . . . 8.91 108.957 178.836 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 24' ' ' LEU . . . . . 0.466 HD23 ' HB ' ' C' ' 90' ' ' ILE . 49.7 mt -124.82 117.48 24.24 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 110.316 -0.253 . . . . 8.66 110.316 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 25' ' ' LYS . . . . . 0.596 ' HA ' ' O ' ' C' ' 32' ' ' PHE . 13.6 ptmt -130.72 138.93 50.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.985 0.421 . . . . 13.38 112.083 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 26' ' ' LYS . . . . . 0.498 ' HD3' ' O ' ' C' ' 30' ' ' PRO . 49.6 tttt -94.08 148.24 22.36 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.973 -0.558 . . . . 14.09 109.555 179.112 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 27' ' ' ILE . . . . . 0.545 HD11 ' HG3' ' C' ' 93' ' ' MET . 12.2 pt -92.16 -45.5 14.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 112.392 0.515 . . . . 14.88 112.392 -179.589 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -79.51 144.68 33.74 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.632 -0.258 . . . . 15.23 111.211 -179.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.11 139.98 82.65 Favored Pre-proline 0 C--N 1.326 -0.449 0 N-CA-C 110.014 -0.365 . . . . 18.5 110.014 179.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 30' ' ' PRO . . . . . 0.498 ' O ' ' HD3' ' C' ' 26' ' ' LYS . 74.0 Cg_endo -76.56 144.81 80.15 Favored 'Cis proline' 0 C--N 1.344 0.332 0 C-N-CA 123.476 -1.468 . . . . 17.48 111.45 -0.477 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 31' ' ' LYS . . . . . 0.477 ' HE2' ' O ' ' C' ' 27' ' ' ILE . 83.7 mttt -97.68 150.59 21.02 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.07 -0.514 . . . . 17.53 110.916 -179.597 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 32' ' ' PHE . . . . . 0.596 ' O ' ' HA ' ' C' ' 25' ' ' LYS . 47.8 p90 -138.77 151.99 47.55 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.598 -0.728 . . . . 13.5 109.088 178.338 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 33' ' ' SER . . . . . 0.442 ' HA ' ' O ' ' C' ' 24' ' ' LEU . 49.7 m -141.7 96.47 2.98 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.075 0.464 . . . . 12.36 110.084 179.576 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 39.3 pt -114.1 164.38 10.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.892 -0.595 . . . . 10.72 111.051 -179.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 35' ' ' GLU . . . . . 0.643 ' HG2' HG23 ' C' ' 23' ' ' THR . 6.5 mt-10 -133.26 142.5 48.55 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.257 -0.429 . . . . 10.54 110.437 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 36' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -152.6 156.8 39.99 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.793 0.33 . . . . 9.85 110.707 179.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -104.15 120.63 41.53 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.966 -0.561 . . . . 9.77 110.179 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 38' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -113.14 -179.47 3.65 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.578 -0.527 . . . . 9.82 109.578 179.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 39' ' ' SER . . . . . 0.43 ' O ' ' HB2' ' C' ' 42' ' ' ASP . 0.1 OUTLIER -108.72 158.17 34.78 Favored Pre-proline 0 C--N 1.321 -0.646 0 N-CA-C 109.814 -0.439 . . . . 11.97 109.814 179.636 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -66.12 -15.7 49.42 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.408 2.072 . . . . 12.89 111.571 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -90.28 -4.13 57.35 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.56 -0.746 . . . . 14.42 110.813 179.446 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 42' ' ' ASP . . . . . 0.485 ' O ' ' HG ' ' C' ' 78' ' ' LEU . 2.0 m-20 -78.99 150.06 32.07 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 109.543 -0.54 . . . . 11.77 109.543 179.404 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 58.0 p -111.09 171.07 7.69 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 110.044 -0.354 . . . . 11.4 110.044 179.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 44' ' ' ILE . . . . . 0.561 HG23 HD12 ' C' ' 65' ' ' LEU . 41.5 mm -60.18 -30.63 46.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.313 0.578 . . . . 7.86 110.085 178.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.31 -36.65 84.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.614 -0.721 . . . . 12.88 110.554 179.644 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 46' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -64.53 -37.98 89.43 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.294 -0.412 . . . . 12.18 110.917 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 63.8 mt -63.49 -41.74 93.74 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 N-CA-C 109.188 -0.671 . . . . 8.04 109.188 178.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -63.04 -45.6 91.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.374 -0.83 . . . . 10.51 110.211 179.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -59.86 -39.86 86.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.876 -0.602 . . . . 13.94 110.134 179.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 50' ' ' HIS . . . . . 0.49 ' O ' ' HG2' ' C' ' 54' ' ' GLU . 83.1 t60 -65.97 -38.15 87.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.775 -0.648 . . . . 11.16 110.861 179.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 43.1 mt -62.59 -33.87 75.84 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.446 -0.343 . . . . 12.37 111.164 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 52' ' ' ILE . . . . . . . . . . . . . 78.8 mt -64.87 -44.52 96.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.32 -0.4 . . . . 15.35 109.938 179.111 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.88 -24.13 67.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 15.02 111.589 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 54' ' ' GLU . . . . . 0.49 ' HG2' ' O ' ' C' ' 50' ' ' HIS . 4.8 mm-40 -87.43 7.49 28.91 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 110.099 -0.334 . . . . 14.38 110.099 179.712 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 62.87 28.17 16.28 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.718 -0.674 . . . . 18.85 111.427 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -102.94 -6.47 22.39 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.115 0.413 . . . . 14.47 112.115 -179.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -147.9 162.11 39.95 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.812 0.339 . . . . 15.28 111.698 -179.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 58' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -113.26 -42.37 3.52 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.859 -0.61 . . . . 17.75 109.63 179.418 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 59' ' ' HIS . . . . . 0.516 ' HB2' ' HG3' ' C' ' 62' ' ' GLU . 94.7 m-70 -127.35 171.55 11.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.147 -0.479 . . . . 19.22 110.985 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 37.5 mm -79.72 -38.72 19.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.06 -0.518 . . . . 13.8 111.593 -179.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 1.9 p -66.14 -32.35 73.75 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.237 0.458 . . . . 14.67 112.237 -179.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 62' ' ' GLU . . . . . 0.516 ' HG3' ' HB2' ' C' ' 59' ' ' HIS . 69.0 mt-10 -60.22 -30.13 69.19 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.333 -0.394 . . . . 16.71 111.364 -179.543 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 63' ' ' ILE . . . . . 0.404 HG22 ' HG ' ' C' ' 65' ' ' LEU . 24.1 mt -84.24 97.8 5.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 112.362 0.504 . . . . 10.79 112.362 -178.154 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 64' ' ' LYS . . . . . 0.513 ' HB3' ' HB3' ' C' ' 93' ' ' MET . 17.6 ttmt -98.23 89.08 4.36 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.502 -0.925 . . . . 9.73 108.502 178.257 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 65' ' ' LEU . . . . . 0.561 HD12 HG23 ' C' ' 44' ' ' ILE . 81.6 mt -75.71 134.91 40.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 5.89 111.511 -179.045 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 66' ' ' LEU . . . . . 0.51 HD22 HG11 ' A' ' 49' ' ' VAL . 2.6 mt -131.57 150.62 52.08 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.215 -0.448 . . . . 7.57 111.364 -179.25 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 65.5 tp -137.16 101.38 4.53 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.794 -0.639 . . . . 7.44 109.472 178.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 20.7 mmmt 60.55 24.78 14.45 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 115.97 -0.559 . . . . 12.88 111.989 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 69' ' ' GLY . . . . . 0.439 ' HA3' ' HA ' ' B' ' 53' ' ' CYS . . . 111.8 -29.65 8.37 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.986 -0.626 . . . . 8.93 112.934 179.451 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 70' ' ' LYS . . . . . 0.762 ' HE3' ' HA ' ' C' ' 70' ' ' LYS . 0.1 OUTLIER -77.31 132.52 38.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 122.943 -0.151 . . . . 9.44 110.962 -179.49 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 71' ' ' VAL . . . . . . . . . . . . . 42.0 t -81.1 125.51 39.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.209 0.528 . . . . 7.05 109.946 179.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 48.4 mt -84.0 104.47 14.1 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.138 0.494 . . . . 5.9 111.046 -179.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 73' ' ' HIS . . . . . . . . . . . . . 24.0 m-70 -72.38 150.97 42.96 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.73 -0.668 . . . . 8.93 110.56 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -54.5 -35.44 63.14 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 113.019 0.748 . . . . 9.91 113.019 -178.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 75' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -84.19 23.11 1.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 113.041 0.756 . . . . 13.36 113.041 -178.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 76' ' ' LEU . . . . . . . . . . . . . 23.9 tp -105.1 132.54 51.2 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 110.132 -0.321 . . . . 9.58 110.132 179.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -88.71 151.49 22.39 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.233 -0.439 . . . . 14.32 109.966 179.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 78' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' C' ' 42' ' ' ASP . 13.0 mt -64.83 -17.77 64.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.516 -0.311 . . . . 9.53 111.77 -179.449 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 79' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.73 -17.96 61.05 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.022 0.439 . . . . 12.75 111.018 179.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 80' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -96.02 -3.94 44.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.164 0.507 . . . . 12.44 110.218 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 81' ' ' LEU . . . . . 0.467 ' HG ' ' HA ' ' C' ' 78' ' ' LEU . 19.2 mt -71.19 129.37 38.74 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.026 -0.533 . . . . 10.15 110.911 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 82' ' ' LYS . . . . . . . . . . . . . 39.1 mmtm -84.95 59.02 5.35 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.591 -0.522 . . . . 12.59 109.591 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 12.0 m -94.37 141.56 14.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.797 -0.638 . . . . 11.5 111.576 -179.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 84' ' ' THR . . . . . 0.5 ' HB ' ' HD2' ' C' ' 85' ' ' PRO . 69.5 p -135.76 174.36 4.63 Favored Pre-proline 0 C--N 1.322 -0.628 0 N-CA-C 108.364 -0.976 . . . . 13.96 108.364 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 85' ' ' PRO . . . . . 0.5 ' HD2' ' HB ' ' C' ' 84' ' ' THR . 43.0 Cg_exo -60.03 -23.91 74.78 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.107 1.871 . . . . 14.91 110.594 178.059 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -83.26 -55.69 4.2 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.506 -0.77 . . . . 15.11 109.905 178.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 87' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -106.75 93.86 4.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.461 0.648 . . . . 12.35 111.834 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 88' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.66 8.07 8.24 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.678 -0.692 . . . . 10.32 109.702 179.298 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 89' ' ' THR . . . . . 0.706 HG23 ' HB ' ' C' ' 23' ' ' THR . 5.4 m -100.36 128.02 46.53 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.486 -0.779 . . . . 9.82 111.411 -178.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 90' ' ' ILE . . . . . 0.466 ' HB ' HD23 ' C' ' 24' ' ' LEU . 39.2 mm -99.08 138.25 24.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.85 -0.613 . . . . 6.59 109.435 179.536 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 91' ' ' THR . . . . . 0.587 HG21 HG21 ' B' ' 49' ' ' VAL . 1.9 m -86.82 122.42 30.67 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.836 0.351 . . . . 8.75 110.096 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 92' ' ' VAL . . . . . . . . . . . . . 18.6 t -106.3 101.83 13.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.434 -0.348 . . . . 9.58 111.038 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 93' ' ' MET . . . . . 0.545 ' HG3' HD11 ' C' ' 27' ' ' ILE . 13.3 ttt -96.0 125.87 40.84 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.42 -0.956 . . . . 10.9 108.42 178.146 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 94' ' ' ILE . . . . . 0.41 HD12 ' HD2' ' C' ' 26' ' ' LYS . 66.9 mt -113.08 123.23 68.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 120.873 0.368 . . . . 13.44 111.124 -179.285 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 95' ' ' LYS . . . . . 0.422 ' HA ' ' HD3' ' C' ' 96' ' ' PRO . 0.8 OUTLIER -144.13 136.82 13.56 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-N 115.801 -0.636 . . . . 14.6 109.347 179.043 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 96' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' C' ' 95' ' ' LYS . 50.4 Cg_exo -55.65 157.28 15.97 Favored 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 123.163 2.575 . . . . 17.56 112.862 -179.612 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 7.0 t30 77.03 -87.75 0.0 OUTLIER Pre-proline 0 C--O 1.25 1.109 0 CA-C-O 118.09 -0.957 . . . . 18.17 111.933 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 98' ' ' PRO . . . . . . . . . . . . . . . . . . . . 1 C--N 1.249 -4.694 0 O-C-N 122.992 0.996 . . . . 15.75 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.734 ' N ' ' HG ' ' B' ' 87' ' ' SER . 2.1 tmt? . . . . . 0 N--CA 1.48 1.048 0 CA-C-O 120.601 0.239 . . . . 10.47 110.464 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 18.0 mmt -70.51 -84.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.356 -0.384 . . . . 11.61 110.906 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.0 m -161.97 -11.27 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.363 -0.381 . . . . 10.77 112.008 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 60.8 74.3 0.45 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 121.462 0.649 . . . . 8.07 109.983 -178.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.5 m -72.38 159.1 34.56 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.299 -0.864 . . . . 10.11 111.7 -178.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.5 mtmm -54.33 -44.89 72.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.848 -0.615 . . . . 10.66 111.538 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -65.46 -34.53 78.5 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.351 -0.386 . . . . 11.43 111.468 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -68.54 -45.87 71.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.059 0.457 . . . . 8.91 110.062 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 75.9 mt -67.96 -43.75 85.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.62 -0.718 . . . . 6.35 110.603 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.85 -36.99 78.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 7.12 110.733 179.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.39 -40.17 89.94 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.994 -0.548 . . . . 7.6 110.499 179.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.602 HD12 HD21 ' B' ' 83' ' ' LEU . 11.2 mt -71.38 -36.57 71.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.938 0.399 . . . . 5.59 110.459 179.216 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 97.3 mt -61.71 -52.6 58.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.792 -0.64 . . . . 4.33 110.443 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 31.4 m -67.82 -29.64 45.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.443 -0.344 . . . . 6.96 110.791 179.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 45.6 t-20 -63.29 -46.82 85.01 Favored 'General case' 0 CA--C 1.519 -0.25 0 N-CA-C 108.717 -0.845 . . . . 7.34 108.717 178.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.508 ' O ' HG13 ' A' ' 33' ' ' ILE . 19.1 t80 -60.28 -45.81 92.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.884 -0.598 . . . . 5.51 110.381 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.0 m-30 -58.93 -46.35 88.2 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.151 -0.477 . . . . 6.35 110.562 179.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.9 m -63.2 -42.62 99.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.922 -0.581 . . . . 8.01 110.356 179.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.546 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 49.0 m -60.64 -37.17 80.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.313 -0.403 . . . . 8.27 111.192 179.473 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.508 HG13 ' O ' ' A' ' 29' ' ' TYR . 95.3 mt -64.71 -43.28 96.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.492 -0.322 . . . . 8.37 111.1 179.717 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 20.9 m -76.64 -23.71 15.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.723 0.296 . . . . 9.63 111.717 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -66.13 -40.83 90.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.217 0.532 . . . . 10.98 110.496 179.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.546 ' HG2' ' O ' ' A' ' 32' ' ' SER . 35.6 pttt -93.42 -4.89 50.54 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.768 -0.651 . . . . 11.09 110.125 179.46 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.6 tttm 58.14 48.85 12.27 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.117 -0.947 . . . . 11.72 111.258 -179.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.497 ' HB2' ' HG3' ' A' ' 36' ' ' LYS . 1.0 OUTLIER -98.12 27.78 4.4 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.898 -0.592 . . . . 9.58 110.816 -179.799 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 17.8 tt -139.79 151.97 22.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.75 -0.659 . . . . 9.5 110.184 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.1 m -69.47 154.57 41.81 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.317 -0.402 . . . . 9.96 110.853 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.38 -41.34 69.09 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.045 -0.525 . . . . 11.9 111.658 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -65.22 -43.44 91.48 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.13 -0.486 . . . . 10.3 111.091 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.76 -31.41 70.31 Favored Glycine 0 C--N 1.331 0.287 0 CA-C-N 116.009 -0.541 . . . . 8.47 112.318 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.6 -39.36 93.52 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.82 -0.437 . . . . 8.42 109.82 179.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -65.15 -35.62 81.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.819 -0.628 . . . . 9.73 110.031 179.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.517 ' HB2' ' HB2' ' B' ' 57' ' ' ALA . 1.2 m -65.57 -51.01 62.98 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 115.933 -0.576 . . . . 7.86 110.45 179.346 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 32.8 mt -63.27 -33.67 76.01 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.412 -0.358 . . . . 6.77 110.258 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -61.54 -43.39 98.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.634 -0.712 . . . . 9.39 111.11 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.2 p -81.87 -37.13 14.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 C-N-CA 121.01 -0.276 . . . . 9.6 111.616 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.32 -40.86 95.78 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.688 0.28 . . . . 7.62 110.933 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 44.4 ttm -58.82 -36.55 74.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 8.19 110.88 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -60.08 -54.8 41.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.854 -0.612 . . . . 11.12 110.745 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.475 ' HB2' ' HB2' ' B' ' 50' ' ' ALA . 4.9 m -63.4 -36.98 85.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.007 -0.542 . . . . 9.77 111.983 -179.618 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.434 HD11 HD11 ' B' ' 54' ' ' ILE . 86.9 mt -64.88 -43.64 96.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.819 0.342 . . . . 9.06 111.145 -179.725 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.421 ' HB3' ' O ' ' A' ' 60' ' ' PHE . 37.6 m -54.09 -58.72 6.28 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.0 -0.545 . . . . 10.96 112.442 -179.074 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.412 ' HG2' ' H ' ' A' ' 56' ' ' GLU . 3.7 pt-20 -66.01 -29.57 69.97 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.788 0.662 . . . . 12.89 112.788 -178.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.4 -42.56 96.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.887 0.375 . . . . 11.68 111.372 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.418 ' HB2' ' CD1' ' A' ' 60' ' ' PHE . 89.2 m-85 -91.26 -3.21 57.11 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.306 -0.407 . . . . 11.93 111.509 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 74.73 45.95 20.07 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.834 -0.698 . . . . 13.13 113.094 179.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.421 ' O ' ' HB3' ' A' ' 55' ' ' SER . 19.5 p90 -144.71 146.62 32.3 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.996 -0.372 . . . . 12.01 109.996 179.114 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -92.29 146.43 23.71 Favored 'General case' 0 C--N 1.317 -0.829 0 C-N-CA 120.865 -0.334 . . . . 14.85 110.378 179.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 45.1 ttp180 -55.6 -40.58 72.26 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.168 0.509 . . . . 11.66 110.36 179.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 54.6 mp0 -68.44 -12.99 61.98 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.636 -0.711 . . . . 13.0 112.335 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -97.01 -2.05 44.24 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.286 0.476 . . . . 12.82 112.286 -178.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.5 p -56.43 -39.96 64.46 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 N-CA-C 112.485 0.55 . . . . 10.88 112.485 -179.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.89 -44.04 97.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.332 -0.394 . . . . 12.04 111.123 -179.675 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.58 -43.69 75.49 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.913 -0.66 . . . . 12.77 111.53 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 97.3 mt -59.8 -50.32 80.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 120.422 0.153 . . . . 11.54 110.95 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 48.7 mt -57.66 -46.93 83.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.736 0.303 . . . . 10.42 111.195 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -61.52 -31.54 78.0 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 121.156 -0.545 . . . . 12.46 113.746 -179.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.51 6.11 48.6 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.514 0.561 . . . . 14.12 112.514 -179.402 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 50.4 m -110.11 -174.25 2.44 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.99 0.424 . . . . 10.83 111.825 -179.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -72.21 -40.35 67.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.666 -0.697 . . . . 10.68 111.061 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -89.01 92.77 9.36 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.898 -0.592 . . . . 8.37 111.216 -179.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -133.82 127.03 31.81 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.13 -0.486 . . . . 12.83 111.22 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 89.74 1.78 76.61 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.793 -0.718 . . . . 9.82 112.937 179.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -130.37 162.9 28.06 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.648 -0.501 . . . . 8.93 109.648 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -112.56 168.6 9.52 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.943 -0.392 . . . . 8.72 109.943 179.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.553 HD11 HD11 ' B' ' 79' ' ' LEU . 26.1 tp -62.95 -31.54 72.66 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.282 -0.417 . . . . 4.7 111.323 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.443 ' HB2' ' CE1' ' A' ' 29' ' ' TYR . . . -66.57 -59.93 3.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 5.96 112.099 -179.31 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -56.99 -43.24 81.52 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.614 0.598 . . . . 7.82 112.614 -179.228 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 83.5 mt -64.38 -50.93 74.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.718 0.294 . . . . 5.79 111.109 179.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.776 HD21 HD12 ' B' ' 25' ' ' LEU . 4.5 tp -60.96 -39.34 89.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 5.97 111.865 -179.307 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -71.26 -27.74 63.66 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.12 0.415 . . . . 9.2 112.12 -179.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 54.5 m -68.39 -26.39 65.54 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.1 0.476 . . . . 7.98 110.732 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -76.4 135.78 39.46 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.948 -0.569 . . . . 7.06 110.939 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.475 ' HA ' ' HB2' ' B' ' 14' ' ' MET . 37.2 m -109.45 120.45 42.55 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.773 -0.649 . . . . 9.21 109.608 179.233 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.48 ' HA ' ' HE ' ' A' ' 88' ' ' ARG . 2.8 mmp_? -122.42 93.81 4.09 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.027 0.442 . . . . 9.55 110.825 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.49 ' HA ' ' HD3' ' A' ' 90' ' ' PRO . 3.5 t -85.72 129.71 53.67 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 115.806 -0.634 . . . . 12.15 109.956 -179.7 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.595 ' HG3' ' HD3' ' B' ' 75' ' ' LYS . 6.1 Cg_exo -78.68 105.79 2.01 Favored 'Trans proline' 0 N--CA 1.461 -0.428 0 C-N-CA 122.987 2.458 . . . . 12.82 111.922 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -89.52 43.72 1.16 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.503 0.668 . . . . 14.19 109.975 179.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 C--O 1.247 0.965 0 CA-C-N 115.284 -0.871 . . . . 15.67 110.038 -179.776 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' MET . . . . . 0.475 ' HB2' ' HA ' ' A' ' 87' ' ' SER . 60.5 ttp . . . . . 0 N--CA 1.48 1.065 0 CA-C-O 120.816 0.341 . . . . 11.23 110.63 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 36.1 ttm -95.52 41.34 1.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.028 0.442 . . . . 13.11 110.992 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 6.9 m 63.52 86.68 0.12 Allowed 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 115.465 -0.789 . . . . 11.45 111.495 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.72 115.5 4.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.586 -0.734 . . . . 8.27 111.623 -179.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 3.2 m -82.27 170.33 15.51 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.899 -0.591 . . . . 9.28 110.537 179.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 49.7 mttp -54.34 -48.99 70.79 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.415 0.524 . . . . 8.44 112.415 -179.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 6.0 pm0 -64.28 -36.76 85.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.716 0.293 . . . . 9.58 111.724 -179.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -66.47 -41.76 88.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.002 0.43 . . . . 8.61 110.24 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 96.4 mt -70.12 -42.52 79.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.914 -0.584 . . . . 4.87 109.733 179.078 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.54 ' HA ' HD12 ' B' ' 26' ' ' ILE . . . -61.43 -32.19 72.14 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.883 -0.599 . . . . 4.42 110.717 179.54 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.09 -41.5 92.63 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.138 -0.483 . . . . 5.79 110.376 179.178 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.776 HD12 HD21 ' A' ' 83' ' ' LEU . 17.5 mt -72.15 -31.93 66.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.164 -0.471 . . . . 4.52 110.434 179.058 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.54 HD12 ' HA ' ' B' ' 23' ' ' ALA . 92.6 mt -65.98 -51.06 65.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.865 -0.607 . . . . 4.37 110.424 179.283 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 34.5 m -67.21 -32.79 59.18 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-N 116.409 -0.36 . . . . 6.25 110.554 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -65.36 -43.89 89.36 Favored 'General case' 0 CA--C 1.52 -0.181 0 N-CA-C 109.209 -0.663 . . . . 6.91 109.209 178.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' TYR . . . . . 0.401 ' O ' HG13 ' B' ' 33' ' ' ILE . 59.2 t80 -60.23 -47.63 85.14 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.471 -0.786 . . . . 7.07 110.586 179.523 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 18.6 m-30 -59.81 -42.99 94.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 8.36 110.603 179.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . 0.468 ' HA ' HG22 ' B' ' 34' ' ' VAL . 28.9 m -64.07 -37.41 87.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.001 -0.545 . . . . 9.5 110.83 179.267 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 19.8 m -65.29 -20.03 66.23 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 121.198 0.523 . . . . 9.77 111.19 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.653 HG23 ' HB3' ' B' ' 38' ' ' GLU . 71.3 mt -86.51 -41.07 14.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.965 0.412 . . . . 11.09 110.402 179.457 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . 0.468 HG22 ' HA ' ' B' ' 31' ' ' SER . 31.9 m -77.03 -35.37 23.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 113.214 0.82 . . . . 12.38 113.214 -178.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -57.46 -40.49 78.63 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 112.609 0.596 . . . . 13.19 112.609 -179.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -101.24 6.08 42.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.602 0.239 . . . . 13.7 111.46 -179.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 21.3 ttmm 54.82 66.26 1.28 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.538 0.685 . . . . 15.86 111.734 -179.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . 0.653 ' HB3' HG23 ' B' ' 33' ' ' ILE . 31.3 tt0 -97.82 -0.75 44.6 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.577 -0.738 . . . . 12.56 109.732 179.619 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 20.7 tt -133.15 159.92 42.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.386 -0.824 . . . . 13.67 109.852 -179.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 29.8 p -67.76 160.62 27.81 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.781 0.324 . . . . 15.14 110.653 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . 0.453 ' HB3' ' NZ ' ' C' ' 31' ' ' LYS . 9.4 mp0 -58.49 -39.66 80.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.393 -0.367 . . . . 16.66 110.947 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.73 -42.78 99.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 15.52 110.192 179.455 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.77 -40.54 64.78 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.688 -0.768 . . . . 13.17 111.487 179.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.75 -43.82 98.1 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.784 0.326 . . . . 12.42 110.776 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . 0.859 ' HB3' ' HB ' ' C' ' 27' ' ' ILE . 0.7 OUTLIER -61.23 -42.3 98.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.086 -0.506 . . . . 13.38 110.274 179.321 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 9.1 m -66.25 -42.6 88.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.829 -0.623 . . . . 11.72 110.834 179.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 24.0 mt -65.27 -33.94 77.17 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.214 -0.448 . . . . 9.64 110.875 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -58.1 -50.91 71.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.931 -0.577 . . . . 11.12 110.353 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 40.8 t -67.07 -44.25 88.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.016 -0.538 . . . . 10.04 110.818 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . 0.475 ' HB2' ' HB2' ' A' ' 53' ' ' CYS . . . -59.74 -44.15 93.93 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.101 -0.499 . . . . 8.26 111.346 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 30.4 ttm -60.64 -44.54 96.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 7.93 110.787 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.57 -42.86 98.31 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.65 -0.705 . . . . 9.48 110.279 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 3.8 t -62.05 -40.63 96.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.454 -0.794 . . . . 8.11 110.909 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . 0.434 HD11 HD11 ' A' ' 54' ' ' ILE . 97.1 mt -62.21 -35.71 70.55 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-O 121.13 0.491 . . . . 6.13 110.525 179.546 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . 0.45 ' HA ' ' CE1' ' B' ' 60' ' ' PHE . 14.3 m -61.54 -50.13 73.89 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.64 -0.709 . . . . 7.39 111.38 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -74.55 -16.2 60.83 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.241 0.46 . . . . 8.81 112.241 -179.434 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . 0.517 ' HB2' ' HB2' ' A' ' 46' ' ' SER . . . -72.84 -45.23 59.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.332 -0.394 . . . . 7.38 111.215 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -88.28 -19.12 27.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 8.09 111.887 -179.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 93.46 43.83 3.88 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.884 -0.674 . . . . 9.43 113.631 178.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . 0.45 ' CE1' ' HA ' ' B' ' 55' ' ' SER . 40.0 p90 -136.37 150.13 48.67 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.661 0.267 . . . . 8.7 110.364 179.135 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.93 140.84 36.53 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.96 0.409 . . . . 11.16 110.771 -179.599 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 61.0 ttt180 -63.1 -45.59 91.35 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.39 -0.823 . . . . 10.74 111.204 -179.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -85.74 15.53 4.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.863 0.364 . . . . 11.8 111.86 -179.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -115.42 6.41 14.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.026 0.441 . . . . 10.53 110.48 179.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 11.3 p -59.51 -27.1 36.42 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 CA-C-N 115.711 -0.677 . . . . 9.11 111.545 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.05 -43.55 95.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 10.71 110.876 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -66.94 -25.08 73.21 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 121.049 -0.596 . . . . 11.05 112.013 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 57.2 mt -79.02 -53.84 12.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 110.007 -0.368 . . . . 9.74 110.007 179.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 74.7 mt -61.95 -36.76 82.38 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.255 -0.429 . . . . 9.17 111.663 -179.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -70.98 -27.12 72.71 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.808 -0.711 . . . . 11.56 112.244 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 3.0 ttmp? -85.16 -48.19 9.39 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.762 0.315 . . . . 12.46 110.463 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 49.0 m -68.58 169.21 11.44 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.028 -0.533 . . . . 9.82 111.253 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -68.27 -17.58 64.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.369 -0.378 . . . . 10.24 111.784 -179.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -79.3 48.45 0.89 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.015 0.436 . . . . 7.68 111.782 -179.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . 0.595 ' HD3' ' HG3' ' A' ' 90' ' ' PRO . 0.0 OUTLIER -94.65 124.03 38.44 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.919 0.39 . . . . 11.56 110.615 179.7 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 74.99 29.15 61.2 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.976 -0.63 . . . . 8.65 111.985 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 20.7 mm-40 -140.38 161.4 37.79 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.653 -0.499 . . . . 7.58 109.653 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 5.7 m80 -127.51 165.79 19.19 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.972 -0.381 . . . . 7.9 109.972 179.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.553 HD11 HD11 ' A' ' 79' ' ' LEU . 18.8 tp -62.5 -32.74 73.7 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.095 -0.502 . . . . 4.14 111.655 -179.652 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.17 -59.08 3.74 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.381 0.512 . . . . 5.79 112.381 -178.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -57.76 -47.1 83.44 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 112.678 0.621 . . . . 6.75 112.678 -179.317 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 82.0 mt -60.39 -46.85 94.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.649 -0.25 . . . . 4.76 111.333 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . 0.602 HD21 HD12 ' A' ' 25' ' ' LEU . 1.4 tp -62.24 -40.33 95.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.707 0.289 . . . . 5.48 111.589 -179.497 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -67.74 -39.77 84.21 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.699 0.285 . . . . 7.63 111.441 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 91.8 p -68.24 -40.42 81.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.734 0.302 . . . . 6.84 111.764 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -86.23 77.44 9.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.199 0.523 . . . . 6.55 110.532 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 87' ' ' SER . . . . . 0.734 ' HG ' ' N ' ' A' ' 14' ' ' MET . 1.3 m -92.79 154.52 18.23 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.917 -0.583 . . . . 8.4 111.099 -179.389 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 15.5 mmm-85 -134.28 126.72 30.36 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.196 -0.456 . . . . 10.35 110.004 179.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 38.6 t -84.17 112.17 39.15 Favored Pre-proline 0 C--N 1.326 -0.416 0 N-CA-C 110.045 -0.354 . . . . 11.96 110.045 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -78.18 119.1 4.51 Favored 'Trans proline' 0 N--CA 1.46 -0.493 0 C-N-CA 122.553 2.169 . . . . 13.1 111.92 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -89.12 109.16 20.05 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.227 -0.442 . . . . 14.34 110.329 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 16.2 m . . . . . 0 C--O 1.251 1.141 0 CA-C-O 118.571 -0.728 . . . . 16.55 109.845 -179.863 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 20' ' ' VAL . . . . . 0.445 HG12 ' HG ' ' C' ' 22' ' ' LEU . 17.6 t . . . . . 0 C--O 1.232 0.165 0 CA-C-O 121.173 0.511 . . . . 9.95 110.221 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 21' ' ' HIS . . . . . . . . . . . . . 17.6 t60 -87.9 102.81 15.07 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.015 -0.539 . . . . 9.34 110.395 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 22' ' ' LEU . . . . . 0.445 ' HG ' HG12 ' C' ' 20' ' ' VAL . 95.3 mt -111.44 144.99 39.76 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.425 -0.352 . . . . 6.88 111.049 -179.642 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 23' ' ' THR . . . . . 0.434 ' HB ' ' HA ' ' C' ' 89' ' ' THR . 4.0 m -101.57 116.18 32.19 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.847 -0.615 . . . . 8.91 109.973 179.325 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 24' ' ' LEU . . . . . 0.554 ' HB2' HG13 ' C' ' 34' ' ' ILE . 50.4 mt -97.69 117.12 31.26 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 110.12 -0.326 . . . . 8.66 110.12 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 25' ' ' LYS . . . . . 0.442 ' HA ' ' O ' ' C' ' 32' ' ' PHE . 18.2 tptm -136.31 125.32 24.33 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.281 -0.418 . . . . 13.38 111.411 -179.368 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 26' ' ' LYS . . . . . 0.564 ' HG2' ' O ' ' C' ' 28' ' ' GLN . 8.5 ttpp -85.59 120.45 27.05 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.195 -0.668 . . . . 14.09 109.195 178.114 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 27' ' ' ILE . . . . . 0.859 ' HB ' ' HB3' ' B' ' 45' ' ' ASP . 42.2 pt -73.96 -10.63 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 113.11 0.781 . . . . 14.88 113.11 -178.262 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . 0.564 ' O ' ' HG2' ' C' ' 26' ' ' LYS . 97.7 mt-30 -125.72 149.94 48.1 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 121.287 -0.165 . . . . 15.23 110.741 -179.636 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.9 133.61 48.29 Favored Pre-proline 0 N--CA 1.466 0.369 0 N-CA-C 113.029 0.751 . . . . 18.5 113.029 -178.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 30' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -79.02 134.79 33.76 Favored 'Cis proline' 0 C--N 1.346 0.397 0 C-N-CA 123.451 -1.479 . . . . 17.48 111.35 -0.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 31' ' ' LYS . . . . . 0.463 ' HE2' ' O ' ' C' ' 27' ' ' ILE . 83.7 mttt -88.44 113.79 24.39 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.141 0.496 . . . . 17.53 111.3 -179.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 32' ' ' PHE . . . . . 0.442 ' O ' ' HA ' ' C' ' 25' ' ' LYS . 50.9 p90 -127.77 149.91 50.04 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.913 -0.585 . . . . 13.5 110.632 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 33' ' ' SER . . . . . . . . . . . . . 73.6 m -124.69 113.24 17.73 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.636 -0.505 . . . . 12.36 109.636 179.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . 0.554 HG13 ' HB2' ' C' ' 24' ' ' LEU . 45.9 pt -129.41 142.32 44.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.78 0.324 . . . . 10.72 110.822 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 35' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -121.12 139.02 53.9 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.319 -0.4 . . . . 10.54 110.62 179.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 36' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -152.85 141.62 21.04 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.254 -0.43 . . . . 9.85 110.247 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -88.85 111.39 22.0 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.004 -0.543 . . . . 9.77 110.404 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 38' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -100.99 172.95 6.71 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.589 -0.523 . . . . 9.82 109.589 179.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 39' ' ' SER . . . . . 0.517 ' O ' ' HB2' ' C' ' 42' ' ' ASP . 59.7 p -97.64 153.9 38.12 Favored Pre-proline 0 C--N 1.321 -0.661 0 N-CA-C 109.389 -0.597 . . . . 11.97 109.389 179.401 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_endo -63.69 -22.07 69.9 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.026 1.817 . . . . 12.89 110.531 179.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.92 -6.55 59.2 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.095 -0.957 . . . . 14.42 111.133 179.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 42' ' ' ASP . . . . . 0.517 ' HB2' ' O ' ' C' ' 39' ' ' SER . 1.2 m-20 -75.3 156.48 35.55 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 116.301 -0.409 . . . . 11.77 110.415 179.589 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 40.3 p -114.76 169.63 8.93 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.247 -0.433 . . . . 11.4 109.908 179.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 44' ' ' ILE . . . . . 0.459 HD11 HD21 ' C' ' 81' ' ' LEU . 45.7 mm -63.08 -30.08 48.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.337 -0.616 . . . . 7.86 109.337 178.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 45' ' ' LEU . . . . . 0.545 ' O ' ' HG3' ' C' ' 49' ' ' GLN . 36.3 tp -60.3 -45.27 93.98 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.692 -0.685 . . . . 12.88 110.085 178.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 46' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -61.49 -38.11 86.1 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.196 -0.456 . . . . 12.18 110.757 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . 0.419 HD11 HD21 ' C' ' 78' ' ' LEU . 66.0 mt -62.03 -42.18 93.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 109.615 -0.513 . . . . 8.04 109.615 178.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -65.0 -44.45 89.2 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.648 -0.706 . . . . 10.51 109.882 179.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . 0.545 ' HG3' ' O ' ' C' ' 45' ' ' LEU . 52.1 mt-30 -59.4 -36.26 75.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.961 -0.563 . . . . 13.94 110.625 179.688 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 50' ' ' HIS . . . . . 0.404 ' O ' ' HG2' ' C' ' 54' ' ' GLU . 7.9 t60 -65.13 -31.54 72.78 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.853 -0.612 . . . . 11.16 111.274 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 94.5 mt -66.3 -28.52 68.75 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.192 0.52 . . . . 12.37 109.945 179.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 52' ' ' ILE . . . . . . . . . . . . . 72.5 mt -73.32 -41.52 57.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.499 -0.773 . . . . 15.35 109.59 178.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -63.74 -28.38 69.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.2 0.524 . . . . 15.02 110.689 179.499 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 54' ' ' GLU . . . . . 0.536 ' O ' ' HE2' ' C' ' 56' ' ' LYS . 58.1 mm-40 -85.7 -3.89 59.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.946 -0.57 . . . . 14.38 110.744 179.287 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 65.45 37.16 6.3 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.138 0.494 . . . . 18.85 111.294 -179.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 56' ' ' LYS . . . . . 0.536 ' HE2' ' O ' ' C' ' 54' ' ' GLU . 64.3 mmtt -106.67 -11.44 15.83 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.966 -0.561 . . . . 14.47 111.238 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . 0.536 ' HB2' HD13 ' C' ' 94' ' ' ILE . . . -150.51 156.63 41.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 15.28 110.562 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 58' ' ' SER . . . . . 0.639 ' HB2' ' OE1' ' C' ' 62' ' ' GLU . 3.2 m -81.3 -81.13 0.14 Allowed 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.202 -0.454 . . . . 17.75 111.314 179.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 59' ' ' HIS . . . . . 0.549 ' HB2' ' OE2' ' C' ' 62' ' ' GLU . 43.8 m-70 -117.71 172.9 7.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.893 0.378 . . . . 19.22 111.347 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 45.6 mm -64.87 -34.33 69.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.798 -0.637 . . . . 13.8 111.497 -179.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.7 -31.64 68.43 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.715 0.635 . . . . 14.67 112.715 -178.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 62' ' ' GLU . . . . . 0.639 ' OE1' ' HB2' ' C' ' 58' ' ' SER . 1.8 mp0 -89.84 -5.65 56.65 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.997 0.427 . . . . 16.71 112.148 -178.701 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 63' ' ' ILE . . . . . . . . . . . . . 51.6 mt -93.08 100.3 11.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 N-CA-C 112.734 0.642 . . . . 10.79 112.734 -178.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 64' ' ' LYS . . . . . 0.475 ' HB3' ' O ' ' C' ' 93' ' ' MET . 73.8 tttt -98.83 117.41 33.25 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.69 -0.855 . . . . 9.73 108.69 178.404 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 57.0 mt -112.02 144.14 41.86 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.769 0.319 . . . . 5.89 111.363 -179.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 66' ' ' LEU . . . . . 0.556 ' HB2' ' HB ' ' C' ' 91' ' ' THR . 5.2 mp -135.49 164.89 26.77 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.903 -0.589 . . . . 7.57 110.293 179.723 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 67' ' ' LEU . . . . . 0.431 ' HB2' HD21 ' C' ' 72' ' ' LEU . 48.6 tp -136.89 89.94 2.49 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.47 -0.567 . . . . 7.44 109.47 178.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 4.8 mmmt 73.86 -50.32 0.69 Allowed 'General case' 0 N--CA 1.467 0.411 0 O-C-N 123.741 0.65 . . . . 12.88 112.277 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . -152.93 -41.49 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.991 -0.623 . . . . 8.93 112.406 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 70' ' ' LYS . . . . . . . . . . . . . 10.7 tptt -82.47 156.42 24.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.702 0.287 . . . . 9.44 110.927 -179.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 71' ' ' VAL . . . . . . . . . . . . . 9.0 m -86.29 148.85 4.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.142 -0.481 . . . . 7.05 110.975 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 72' ' ' LEU . . . . . 0.431 HD21 ' HB2' ' C' ' 67' ' ' LEU . 83.3 mt -95.74 120.31 35.77 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.069 0.462 . . . . 5.9 110.685 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 73' ' ' HIS . . . . . . . . . . . . . 69.5 m-70 -88.42 138.02 31.8 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.927 -0.579 . . . . 8.93 110.075 -179.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 74' ' ' ASP . . . . . 0.483 ' HB3' ' HB2' ' C' ' 45' ' ' LEU . 1.6 m-20 -51.42 -41.05 60.51 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 113.183 0.809 . . . . 9.91 113.183 -178.185 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 75' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -76.26 5.54 6.83 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 113.443 0.905 . . . . 13.36 113.443 -178.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 76' ' ' LEU . . . . . . . . . . . . . 20.4 tp -86.52 134.65 33.65 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.925 0.393 . . . . 9.58 110.976 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -88.0 152.49 22.0 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.834 -0.621 . . . . 14.32 110.202 179.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 78' ' ' LEU . . . . . 0.45 ' HA ' ' HG ' ' C' ' 81' ' ' LEU . 11.3 mt -64.85 -21.46 66.8 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.449 0.537 . . . . 9.53 112.449 -179.214 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 79' ' ' SER . . . . . . . . . . . . . 1.7 m -66.97 -19.7 65.76 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 112.037 0.384 . . . . 12.75 112.037 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 80' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -93.71 -18.43 22.12 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.007 0.373 . . . . 12.44 112.007 -179.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 81' ' ' LEU . . . . . 0.459 HD21 HD11 ' C' ' 44' ' ' ILE . 26.3 mt -53.21 124.1 13.63 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.103 -0.498 . . . . 10.15 112.27 -178.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 82' ' ' LYS . . . . . . . . . . . . . 40.2 mmtm -82.02 62.13 5.64 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.799 -0.637 . . . . 12.59 110.049 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 8.8 m -104.6 126.68 59.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.464 0.65 . . . . 11.5 111.758 -179.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 84' ' ' THR . . . . . 0.471 ' HB ' ' HD2' ' C' ' 85' ' ' PRO . 30.5 p -116.21 175.31 1.99 Allowed Pre-proline 0 C--N 1.322 -0.628 0 N-CA-C 108.362 -0.977 . . . . 13.96 108.362 179.079 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 85' ' ' PRO . . . . . 0.471 ' HD2' ' HB ' ' C' ' 84' ' ' THR . 51.6 Cg_exo -59.03 -18.02 41.01 Favored 'Trans proline' 0 CA--C 1.533 0.441 0 C-N-CA 122.161 1.908 . . . . 14.91 111.886 178.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -89.21 -27.51 20.59 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.156 -0.474 . . . . 15.11 111.549 179.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 87' ' ' ASN . . . . . . . . . . . . . 14.4 p-10 -131.3 96.4 4.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.541 0.686 . . . . 12.35 111.876 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 88' ' ' SER . . . . . . . . . . . . . 1.2 m -122.1 7.67 9.76 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.322 0.582 . . . . 10.32 109.986 179.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 89' ' ' THR . . . . . 0.434 ' HA ' ' HB ' ' C' ' 23' ' ' THR . 2.8 m -93.74 130.05 39.86 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.422 -0.808 . . . . 9.82 111.312 -179.288 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 90' ' ' ILE . . . . . . . . . . . . . 49.4 mm -94.79 130.88 43.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 108.98 -0.748 . . . . 6.59 108.98 178.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 91' ' ' THR . . . . . 0.556 ' HB ' ' HB2' ' C' ' 66' ' ' LEU . 2.0 m -80.89 103.3 10.63 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.024 0.44 . . . . 8.75 111.097 -179.315 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 92' ' ' VAL . . . . . 0.472 ' HB ' ' HA ' ' C' ' 26' ' ' LYS . 42.2 t -93.37 117.42 36.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.167 -0.47 . . . . 9.58 109.925 179.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 93' ' ' MET . . . . . 0.475 ' O ' ' HB3' ' C' ' 64' ' ' LYS . 6.3 ttt -126.5 58.97 1.37 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.389 -0.369 . . . . 10.9 110.828 -179.458 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 94' ' ' ILE . . . . . 0.536 HD13 ' HB2' ' C' ' 57' ' ' ALA . 92.8 mt -56.36 130.39 18.94 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 CA-C-N 116.112 -0.494 . . . . 13.44 111.012 179.66 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 95' ' ' LYS . . . . . 0.517 ' O ' ' HB3' ' C' ' 62' ' ' GLU . 75.3 mmtt -115.49 139.78 25.09 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 115.9 -0.591 . . . . 14.6 110.698 -179.194 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 96' ' ' PRO . . . . . 0.472 ' O ' ' HB3' ' C' ' 97' ' ' ASN . 61.2 Cg_endo -76.71 79.73 2.98 Favored 'Trans proline' 0 N--CA 1.46 -0.446 0 C-N-CA 122.218 1.945 . . . . 17.56 111.316 178.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 97' ' ' ASN . . . . . 0.472 ' HB3' ' O ' ' C' ' 96' ' ' PRO . 7.2 t30 81.86 -51.29 0.0 OUTLIER Pre-proline 0 C--O 1.25 1.103 0 CA-C-N 115.32 -0.854 . . . . 18.17 111.835 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 98' ' ' PRO . . . . . . . . . . . . . . . . . . . . 1 C--N 1.246 -4.822 0 O-C-N 122.964 0.981 . . . . 15.75 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.4 tmt? . . . . . 0 N--CA 1.483 1.204 0 CA-C-O 120.869 0.366 . . . . 10.47 110.267 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 9.7 mmt -81.37 -70.59 0.52 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.072 -0.513 . . . . 11.61 110.613 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.9 m -154.74 23.18 0.45 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.37 -0.377 . . . . 10.77 110.487 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.617 ' HB2' ' HB2' ' B' ' 84' ' ' ASN . . . 57.86 42.23 23.5 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.344 0.593 . . . . 8.07 109.689 -178.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.43 ' HB2' ' HB2' ' A' ' 21' ' ' GLU . 0.7 OUTLIER -58.1 152.88 15.84 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.975 -1.012 . . . . 10.11 110.929 -179.254 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 40.3 mmtm -55.64 -47.01 77.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 10.66 111.332 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -75.79 -29.31 58.69 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.575 -0.284 . . . . 11.43 110.999 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.43 ' HB2' ' HB2' ' A' ' 18' ' ' SER . 59.0 tt0 -58.48 -39.19 79.31 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 121.389 0.614 . . . . 8.91 109.656 179.464 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 52.2 mt -87.12 -43.48 15.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.503 -0.771 . . . . 6.35 110.895 179.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.91 -41.9 75.25 Favored 'General case' 0 C--O 1.234 0.239 0 N-CA-C 112.113 0.412 . . . . 7.12 112.113 -179.317 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.49 -40.57 87.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.883 0.373 . . . . 7.6 111.211 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 91.5 mt -70.48 -33.92 71.79 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.179 -0.464 . . . . 5.59 111.248 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 91.3 mt -65.74 -53.05 42.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.148 -0.478 . . . . 4.33 110.664 179.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 20.2 m -66.4 -32.6 58.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.481 -0.327 . . . . 6.96 111.16 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -64.08 -37.37 87.19 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.235 0.54 . . . . 7.34 109.56 178.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.445 ' O ' HG13 ' A' ' 33' ' ' ILE . 44.9 t80 -64.73 -49.69 69.82 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.667 -0.697 . . . . 5.51 110.045 179.139 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.2 m-30 -60.76 -44.26 96.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.121 -0.49 . . . . 6.35 111.332 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.8 m -60.1 -39.72 87.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 8.01 111.298 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.562 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 24.6 m -68.35 -34.72 76.59 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.396 -0.366 . . . . 8.27 111.412 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.445 HG13 ' O ' ' A' ' 29' ' ' TYR . 98.3 mt -61.03 -45.28 98.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.536 -0.302 . . . . 8.37 111.549 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.446 HG13 HD12 ' A' ' 47' ' ' LEU . 2.9 m -74.97 -28.24 20.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 C-N-CA 120.989 -0.284 . . . . 9.63 111.746 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -61.26 -43.58 98.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.958 0.409 . . . . 10.98 111.311 179.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.562 ' HG2' ' O ' ' A' ' 32' ' ' SER . 18.7 pttt -94.46 5.44 51.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.022 -0.535 . . . . 11.09 110.782 179.592 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.0 mttm 51.57 54.54 10.84 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.522 -0.763 . . . . 11.72 112.757 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.438 ' HG3' ' HG3' ' A' ' 36' ' ' LYS . 7.5 mt-10 -87.51 -29.06 21.63 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.16 -0.473 . . . . 9.58 110.968 179.38 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.462 HD11 ' HB1' ' B' ' 57' ' ' ALA . 12.9 tt -86.73 164.16 2.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.154 -0.476 . . . . 9.5 110.516 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.1 p -72.71 165.87 23.95 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.968 0.413 . . . . 9.96 111.477 -179.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -62.62 -35.97 81.29 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.782 -0.645 . . . . 11.9 110.531 179.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.62 -30.79 61.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.991 -0.55 . . . . 10.3 110.857 -179.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -75.41 -14.6 81.82 Favored Glycine 0 C--N 1.33 0.235 0 CA-C-N 115.955 -0.566 . . . . 8.47 112.981 -179.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.87 -41.58 99.44 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.895 0.379 . . . . 8.42 110.257 179.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.753 ' HB3' ' H ' ' C' ' 71' ' ' VAL . 5.0 m-20 -62.49 -40.53 96.99 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.759 -0.655 . . . . 9.73 110.049 179.515 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -63.06 -43.94 97.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.534 -0.757 . . . . 7.86 111.471 -179.443 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.446 HD12 HG13 ' A' ' 34' ' ' VAL . 23.0 mt -66.94 -35.46 80.02 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.993 -0.283 . . . . 6.77 111.002 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -59.8 -52.8 63.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.102 -0.499 . . . . 9.39 110.874 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.673 HG21 HD13 ' C' ' 66' ' ' LEU . 7.8 p -69.39 -40.01 79.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 112.425 0.528 . . . . 9.6 112.425 -179.186 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.76 -48.61 80.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.795 0.331 . . . . 7.62 110.336 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 36.3 ttm -63.25 -40.69 98.14 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.858 -0.61 . . . . 8.19 110.388 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -61.68 -50.56 72.01 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.568 -0.742 . . . . 11.12 110.941 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 91.7 m -64.91 -38.57 91.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.325 -0.398 . . . . 9.77 111.822 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 65.3 mt -61.85 -36.65 75.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-O 121.043 0.449 . . . . 9.06 110.365 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 32.9 m -59.92 -53.7 54.83 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.678 -0.692 . . . . 10.96 111.797 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -71.01 -26.39 63.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.854 0.359 . . . . 12.89 111.903 -179.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.08 -48.52 67.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.134 -0.485 . . . . 11.68 111.239 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -83.47 -13.82 53.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.47 -0.332 . . . . 11.93 111.685 -179.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.03 45.95 6.87 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.683 -0.77 . . . . 13.13 113.006 179.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 20.1 p90 -144.66 141.63 29.5 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.115 -0.328 . . . . 12.01 110.115 179.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -73.21 146.22 45.68 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.679 -0.489 . . . . 14.85 109.679 179.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 17.3 ttp180 -57.58 -43.49 84.64 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.082 0.468 . . . . 11.66 110.779 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 51.7 mp0 -76.08 -3.41 35.8 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.773 -0.649 . . . . 13.0 111.731 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.95 -1.0 57.89 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.866 0.365 . . . . 12.82 111.198 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 14.4 p -60.89 -33.38 55.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 10.88 110.983 179.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.5 m -64.15 -39.0 93.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.037 -0.528 . . . . 12.04 111.067 179.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.33 -40.96 69.21 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.949 -0.643 . . . . 12.77 111.675 179.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 64.4 mt -62.96 -45.1 99.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.952 0.406 . . . . 11.54 110.377 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.438 ' O ' ' HB3' ' A' ' 75' ' ' LYS . 68.2 mt -69.98 -23.57 63.19 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.141 -0.481 . . . . 10.42 110.982 179.704 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -72.71 -34.43 59.64 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.952 -0.642 . . . . 12.46 112.875 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.2 ptpt -91.46 -27.57 18.18 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.211 0.448 . . . . 14.12 112.211 -179.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.8 m -87.64 147.58 25.21 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.614 -0.266 . . . . 10.83 110.696 -179.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.41 ' OE1' ' HD2' ' B' ' 90' ' ' PRO . 77.3 mm-40 -77.15 54.75 1.1 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.494 0.664 . . . . 10.68 111.525 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -139.77 11.7 2.47 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.428 -0.805 . . . . 8.37 109.246 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.438 ' HB3' ' O ' ' A' ' 69' ' ' LEU . 5.2 ptmt -64.02 132.88 51.92 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.99 -1.005 . . . . 12.83 111.365 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 79.3 18.93 73.02 Favored Glycine 0 N--CA 1.449 -0.438 0 CA-C-N 115.747 -0.66 . . . . 9.82 112.732 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -133.11 149.36 52.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.827 0.346 . . . . 8.93 111.243 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 17.0 m80 -115.69 163.25 16.08 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.96 -0.756 . . . . 8.72 108.96 179.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.415 HD11 HD11 ' B' ' 79' ' ' LEU . 21.7 tp -56.14 -40.24 73.5 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.834 0.679 . . . . 4.7 112.834 -179.021 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.87 -44.78 84.34 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.363 0.505 . . . . 5.96 112.363 -179.009 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -58.66 -53.52 57.38 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.098 0.475 . . . . 7.82 110.912 -179.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 41.0 mt -61.69 -47.12 94.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.489 -0.778 . . . . 5.79 112.09 -178.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.582 HD21 HD12 ' B' ' 25' ' ' LEU . 14.5 tp -60.2 -43.68 95.75 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.528 0.566 . . . . 5.97 112.528 -178.544 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -71.49 -28.0 63.62 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.925 -0.31 . . . . 9.2 111.301 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.5 m -75.82 -43.92 43.63 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.414 -0.357 . . . . 7.98 110.909 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -103.61 92.18 4.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.103 0.478 . . . . 7.06 110.885 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.726 ' HG ' ' N ' ' B' ' 14' ' ' MET . 3.4 m -119.74 175.34 5.92 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.036 -0.529 . . . . 9.21 110.573 -179.739 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 88' ' ' ARG . 0.2 OUTLIER -133.51 159.99 38.76 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.7 -0.227 . . . . 9.55 110.628 -179.817 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.44 ' HA ' ' HD3' ' A' ' 90' ' ' PRO . 45.9 t -106.75 118.75 53.53 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 116.157 -0.474 . . . . 12.15 109.911 179.395 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 89' ' ' VAL . 5.4 Cg_exo -74.47 91.25 0.98 Allowed 'Trans proline' 0 N--CA 1.465 -0.196 0 C-N-CA 123.168 2.579 . . . . 12.82 112.324 -179.585 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -86.25 115.74 23.99 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.334 -0.393 . . . . 14.19 111.08 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 36.7 m . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.143 -0.932 . . . . 15.67 110.475 179.201 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' MET . . . . . 0.726 ' N ' ' HG ' ' A' ' 87' ' ' SER . 46.4 ttp . . . . . 0 N--CA 1.482 1.147 0 CA-C-O 120.547 0.213 . . . . 11.23 111.343 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 16.5 mmt -99.42 43.5 1.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.808 -0.178 . . . . 13.11 111.224 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 1.4 m 63.01 90.73 0.08 Allowed 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.278 -0.419 . . . . 11.45 111.072 -179.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.89 109.64 0.99 Allowed 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.076 -0.511 . . . . 8.27 111.353 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . 0.641 ' HB2' ' HG3' ' B' ' 21' ' ' GLU . 3.4 m -77.98 161.56 27.42 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.896 -0.593 . . . . 9.28 111.308 -179.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . 0.443 ' H ' ' HG2' ' B' ' 19' ' ' LYS . 20.4 mmtp -53.24 -50.81 63.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.007 -0.542 . . . . 8.44 112.065 -179.349 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 8.1 pm0 -63.79 -34.79 78.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 9.58 111.846 -179.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.641 ' HG3' ' HB2' ' B' ' 18' ' ' SER . 26.7 mt-10 -68.9 -40.29 79.24 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.101 -0.499 . . . . 8.61 110.331 -179.723 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.575 HG12 HD23 ' A' ' 83' ' ' LEU . 82.1 mt -69.27 -42.19 81.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 109.317 -0.623 . . . . 4.87 109.317 178.712 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.532 ' HA ' HD12 ' B' ' 26' ' ' ILE . . . -62.03 -33.09 73.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.709 -0.678 . . . . 4.42 111.015 179.665 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.52 -39.58 88.32 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.277 -0.419 . . . . 5.79 110.474 179.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.582 HD12 HD21 ' A' ' 83' ' ' LEU . 70.5 mt -73.32 -31.81 64.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.186 -0.461 . . . . 4.52 110.364 179.331 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.532 HD12 ' HA ' ' B' ' 23' ' ' ALA . 94.8 mt -63.98 -51.79 64.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.818 -0.628 . . . . 4.37 110.007 179.281 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 18.8 m -67.48 -33.52 62.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.398 -0.364 . . . . 6.25 110.684 179.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -62.26 -39.42 92.84 Favored 'General case' 0 CA--C 1.52 -0.184 0 N-CA-C 109.457 -0.572 . . . . 6.91 109.457 178.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -62.3 -48.9 77.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.848 -0.614 . . . . 7.07 110.238 179.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -64.08 -40.65 96.7 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.284 -0.416 . . . . 8.36 110.827 179.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 50.6 m -62.69 -37.81 87.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 9.5 110.293 179.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 43.8 m -68.89 -20.64 64.25 Favored 'General case' 0 C--O 1.225 -0.204 0 CA-C-N 115.934 -0.576 . . . . 9.77 110.586 179.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.805 HG23 ' HB2' ' B' ' 38' ' ' GLU . 95.1 mt -84.3 -44.5 17.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.302 -0.408 . . . . 11.09 110.594 179.596 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 29.1 m -71.56 -33.18 48.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 113.262 0.838 . . . . 12.38 113.262 -178.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -61.2 -42.94 99.47 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 112.38 0.511 . . . . 13.19 112.38 -179.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . 0.448 ' H ' ' HG2' ' B' ' 36' ' ' LYS . 0.0 OUTLIER -101.74 10.72 39.76 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.031 0.444 . . . . 13.7 110.925 179.332 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 17.6 ttmm 47.92 69.43 0.53 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.037 -0.983 . . . . 15.86 113.332 179.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . 0.805 ' HB2' HG23 ' B' ' 33' ' ' ILE . 36.0 mt-10 -88.65 -11.3 45.74 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.486 0.66 . . . . 12.56 109.525 178.608 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 17.1 tt -120.92 163.3 18.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.348 -0.842 . . . . 13.67 110.014 -179.155 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.23 161.69 29.68 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.716 0.293 . . . . 15.14 110.996 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.8 -28.36 63.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.437 . . . . 16.66 112.177 -179.569 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.43 -62.15 1.87 Allowed 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 110.286 -0.264 . . . . 15.52 110.286 178.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.32 -30.76 74.96 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 121.198 -0.525 . . . . 13.17 112.127 179.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.08 -38.76 92.45 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.773 0.32 . . . . 12.42 110.464 179.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.48 -42.32 92.32 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.199 -0.667 . . . . 13.38 109.199 179.344 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . 0.577 ' HA ' HD12 ' C' ' 27' ' ' ILE . 0.7 OUTLIER -63.9 -47.77 79.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.595 -0.73 . . . . 11.72 110.793 179.327 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 86.6 mt -64.98 -31.73 73.11 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.295 -0.412 . . . . 9.64 111.352 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -54.95 -49.23 71.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.946 -0.57 . . . . 11.12 110.82 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 7.8 p -83.38 -35.71 12.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.268 -0.424 . . . . 10.04 111.209 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.11 -40.4 89.54 Favored 'General case' 0 N--CA 1.462 0.164 0 N-CA-C 112.061 0.393 . . . . 8.26 112.061 -179.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 46.6 mtm -61.79 -38.51 88.38 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-O 120.763 0.316 . . . . 7.93 111.295 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -66.99 -31.34 71.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.082 -0.508 . . . . 9.48 110.82 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 30.2 m -65.42 -34.34 78.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.953 -0.567 . . . . 8.11 110.584 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 71.4 mt -68.65 -44.56 82.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.936 -0.575 . . . . 6.13 111.307 -179.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.81 -50.82 72.0 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 112.55 0.574 . . . . 7.39 112.55 -179.126 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -68.31 -33.18 73.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.254 -0.43 . . . . 8.81 112.066 -178.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . 0.462 ' HB1' HD11 ' A' ' 39' ' ' ILE . . . -70.68 -52.8 18.69 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.131 0.419 . . . . 7.38 112.131 -179.441 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -71.81 -38.33 70.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.574 -0.284 . . . . 8.09 111.664 -179.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 106.86 59.86 0.58 Allowed Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.297 -0.954 . . . . 9.43 112.839 179.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -156.81 152.29 26.71 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.863 -0.421 . . . . 8.7 109.863 179.051 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . 0.602 ' HB3' ' HB3' ' B' ' 64' ' ' ALA . 0.3 OUTLIER -76.78 132.68 39.38 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.969 0.414 . . . . 11.16 111.089 -179.924 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 19.0 ttp-105 -70.64 -33.92 71.51 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.341 -0.845 . . . . 10.74 110.574 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -90.42 2.01 56.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.108 0.48 . . . . 11.8 111.546 -179.473 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . 0.602 ' HB3' ' HB3' ' B' ' 61' ' ' GLU . . . -122.82 28.55 7.22 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.216 -0.447 . . . . 10.53 110.342 179.573 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.555 ' HA ' HD12 ' B' ' 68' ' ' ILE . 13.9 p -66.59 -29.49 46.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.774 -0.648 . . . . 9.11 110.929 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -35.72 80.26 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 116.081 -0.509 . . . . 10.71 110.523 179.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -69.72 -30.49 70.61 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.937 -0.649 . . . . 11.05 111.713 179.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . 0.555 HD12 ' HA ' ' B' ' 65' ' ' VAL . 33.9 mt -71.2 -46.78 64.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 109.794 -0.447 . . . . 9.74 109.794 179.516 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.411 ' O ' ' HB3' ' B' ' 75' ' ' LYS . 75.2 mt -63.85 -36.81 85.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.92 -0.582 . . . . 9.17 110.178 179.503 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -74.57 -18.3 79.96 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.905 -0.664 . . . . 11.56 112.029 179.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -89.85 -47.24 8.01 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.755 0.312 . . . . 12.46 110.487 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 66.8 m -73.62 177.51 5.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.057 -0.52 . . . . 9.82 112.347 -179.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.423 ' H ' ' HG2' ' B' ' 73' ' ' GLU . 7.5 pt-20 -74.33 -26.17 59.99 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.631 -0.713 . . . . 10.24 111.249 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -87.46 97.58 10.91 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.046 -0.524 . . . . 7.68 111.303 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . 0.411 ' HB3' ' O ' ' B' ' 69' ' ' LEU . 0.1 OUTLIER -133.68 139.82 46.66 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.929 -0.578 . . . . 11.56 109.954 179.133 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 79.62 -47.85 3.34 Favored Glycine 0 CA--C 1.517 0.205 0 C-N-CA 121.097 -0.573 . . . . 8.65 111.95 -179.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -70.77 128.35 35.77 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 110.027 -0.36 . . . . 7.58 110.027 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 38.7 m80 -87.01 162.78 17.43 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.286 -0.635 . . . . 7.9 109.286 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.415 HD11 HD11 ' A' ' 79' ' ' LEU . 39.8 tp -57.04 -39.84 75.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.856 0.36 . . . . 4.14 111.231 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.65 -41.07 92.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.061 -0.518 . . . . 5.79 111.542 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -59.85 -51.09 71.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 6.75 110.614 -179.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 55.7 mt -62.98 -48.56 87.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.733 -0.667 . . . . 4.76 111.082 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 5.3 mp -61.49 -30.03 70.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.085 -0.507 . . . . 5.48 111.854 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 84' ' ' ASN . . . . . 0.617 ' HB2' ' HB2' ' A' ' 17' ' ' ALA . 55.5 t30 -77.65 -40.44 41.75 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.93 -0.308 . . . . 7.63 110.523 179.255 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 18.1 m -66.53 -38.45 87.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.943 -0.572 . . . . 6.84 110.492 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.42 111.9 2.51 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.629 -0.714 . . . . 6.55 110.879 179.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 6.5 m -100.53 100.41 11.14 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.916 -0.584 . . . . 8.4 110.886 -179.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 15.0 mmm180 -100.79 123.07 44.46 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.944 -0.571 . . . . 10.35 110.105 179.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 19.1 t -120.85 94.23 48.87 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-N 116.182 -0.463 . . . . 11.96 109.969 179.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 90' ' ' PRO . . . . . 0.41 ' HD2' ' OE1' ' A' ' 73' ' ' GLU . 14.7 Cg_exo -70.8 113.19 3.46 Favored 'Trans proline' 0 N--CA 1.462 -0.345 0 C-N-CA 122.977 2.451 . . . . 13.1 111.124 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -64.06 107.46 1.27 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.069 -0.514 . . . . 14.34 110.122 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 8.5 m . . . . . 0 C--O 1.246 0.899 0 CA-C-O 118.572 -0.727 . . . . 16.55 110.452 -179.362 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 37.5 t . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.481 -0.563 . . . . 9.95 109.481 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 21' ' ' HIS . . . . . . . . . . . . . 66.7 t60 -75.13 113.66 12.73 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.042 -0.527 . . . . 9.34 110.97 -179.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 22' ' ' LEU . . . . . . . . . . . . . 94.7 mt -120.25 137.46 54.21 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.163 -0.472 . . . . 6.88 111.209 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 23' ' ' THR . . . . . 0.635 HG23 ' HG2' ' C' ' 35' ' ' GLU . 23.2 m -106.47 112.82 25.99 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.343 -0.614 . . . . 8.91 109.343 179.089 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 24' ' ' LEU . . . . . 0.485 ' HB2' HG13 ' C' ' 34' ' ' ILE . 33.5 mt -92.64 123.41 35.91 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.704 -0.225 . . . . 8.66 110.83 -179.072 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 16.2 tptm -139.04 124.68 19.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.419 . . . . 13.38 111.018 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 26' ' ' LYS . . . . . 0.56 ' HE2' HD12 ' C' ' 94' ' ' ILE . 7.7 ttpp -91.11 118.92 30.82 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.468 -0.567 . . . . 14.09 109.468 178.636 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 27' ' ' ILE . . . . . 0.577 HD12 ' HA ' ' B' ' 46' ' ' SER . 17.8 pt -69.62 -41.05 80.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.095 -0.502 . . . . 14.88 112.297 -178.76 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . 0.5 ' H ' ' HG3' ' C' ' 28' ' ' GLN . 0.0 OUTLIER -87.15 154.39 20.77 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.537 -0.301 . . . . 15.23 111.031 -179.79 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.66 141.56 92.99 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.378 -0.373 . . . . 18.5 111.126 -179.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 30' ' ' PRO . . . . . 0.415 ' O ' ' HE3' ' C' ' 26' ' ' LYS . 71.6 Cg_endo -77.91 141.96 68.51 Favored 'Cis proline' 0 C--N 1.344 0.33 0 C-N-CA 123.218 -1.576 . . . . 17.48 111.549 -0.645 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 31' ' ' LYS . . . . . 0.554 ' HE2' ' O ' ' C' ' 27' ' ' ILE . 87.3 mttt -87.88 135.27 33.47 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.91 0.386 . . . . 17.53 111.554 -179.35 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 42.6 p90 -145.42 147.24 32.02 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.848 -0.615 . . . . 13.5 110.006 178.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 33' ' ' SER . . . . . . . . . . . . . 2.9 m -132.03 118.26 19.47 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.234 -0.439 . . . . 12.36 110.015 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . 0.485 HG13 ' HB2' ' C' ' 24' ' ' LEU . 8.5 pt -137.01 146.55 28.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.371 -0.377 . . . . 10.72 109.998 179.662 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 35' ' ' GLU . . . . . 0.635 ' HG2' HG23 ' C' ' 23' ' ' THR . 30.8 mt-10 -123.56 143.73 50.02 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.762 0.315 . . . . 10.54 111.14 -179.386 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 36' ' ' HIS . . . . . . . . . . . . . 14.4 t60 -157.53 141.09 15.66 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.198 -0.455 . . . . 9.85 110.086 179.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -94.48 113.6 25.47 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.278 -0.638 . . . . 9.77 109.278 179.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 38' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -99.61 -178.81 4.0 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.739 0.304 . . . . 9.82 111.053 -179.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 39' ' ' SER . . . . . 0.429 ' HA ' ' HD3' ' C' ' 40' ' ' PRO . 0.5 OUTLIER -99.22 148.59 34.84 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 116.731 -0.213 . . . . 11.97 110.7 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 40' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' C' ' 39' ' ' SER . 22.8 Cg_exo -65.43 -17.67 58.2 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.736 2.291 . . . . 12.89 111.789 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.99 2.16 54.41 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.69 -0.686 . . . . 14.42 111.014 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 42' ' ' ASP . . . . . 0.402 ' O ' ' HG ' ' C' ' 78' ' ' LEU . 58.5 m-20 -95.01 157.37 15.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.423 -0.353 . . . . 11.77 110.568 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 27.8 p -111.23 179.26 4.09 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.233 -0.44 . . . . 11.4 110.335 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 45.1 mm -64.52 -27.76 43.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.032 0.444 . . . . 7.86 110.447 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 53.2 tp -59.12 -39.09 81.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.78 -0.645 . . . . 12.88 110.967 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 46' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -62.93 -39.08 93.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.199 -0.455 . . . . 12.18 110.585 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 44.4 mt -65.53 -42.95 94.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.927 -0.579 . . . . 8.04 110.215 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -61.82 -46.4 89.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.861 -0.609 . . . . 10.51 110.684 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -62.92 -36.63 84.03 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.018 -0.537 . . . . 13.94 110.397 179.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 50' ' ' HIS . . . . . 0.408 ' O ' ' HG2' ' C' ' 54' ' ' GLU . 68.6 t60 -63.62 -37.15 86.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.981 -0.554 . . . . 11.16 110.611 179.364 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . 0.411 HD21 HD13 ' C' ' 24' ' ' LEU . 61.3 mt -62.24 -32.08 72.72 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.437 -0.347 . . . . 12.37 111.283 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 52' ' ' ILE . . . . . . . . . . . . . 69.3 mt -66.89 -45.72 86.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.2 -0.454 . . . . 15.35 110.1 179.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.21 -30.21 71.28 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.196 -0.456 . . . . 15.02 111.097 179.47 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 54' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' C' ' 50' ' ' HIS . 5.8 mm-40 -78.43 0.43 25.86 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.289 -0.414 . . . . 14.38 110.597 179.647 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 62.69 42.07 8.59 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.849 -0.614 . . . . 18.85 111.281 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 35.0 mmtm -128.6 10.53 6.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.269 -0.423 . . . . 14.47 111.527 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -157.91 164.41 36.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.303 -0.408 . . . . 15.28 110.81 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 58' ' ' SER . . . . . 0.4 ' HB3' ' OE1' ' C' ' 62' ' ' GLU . 25.2 t -118.87 -75.7 0.58 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.474 -0.33 . . . . 17.75 111.099 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 59' ' ' HIS . . . . . 0.441 ' HB2' ' HG3' ' C' ' 62' ' ' GLU . 86.0 m-70 -100.86 153.28 19.62 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.676 0.274 . . . . 19.22 110.595 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 45.9 mm -65.86 -39.03 83.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.02 -0.536 . . . . 13.8 111.443 -179.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 3.4 p -68.12 -18.83 64.75 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.175 -0.466 . . . . 14.67 112.236 -179.076 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 62' ' ' GLU . . . . . 0.441 ' HG3' ' HB2' ' C' ' 59' ' ' HIS . 52.2 mt-10 -83.46 -15.97 47.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.927 0.394 . . . . 16.71 110.771 -179.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 63' ' ' ILE . . . . . . . . . . . . . 25.5 mt -89.69 104.53 15.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.035 -0.529 . . . . 10.79 111.68 -178.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 64' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -102.1 95.58 6.43 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.552 -0.749 . . . . 9.73 109.538 179.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 65' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' C' ' 92' ' ' VAL . 86.4 mt -93.24 146.44 23.69 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.121 -0.49 . . . . 5.89 110.594 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 66' ' ' LEU . . . . . 0.835 ' HG ' ' HB ' ' C' ' 91' ' ' THR . 0.7 OUTLIER -154.76 160.92 41.63 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.434 -0.348 . . . . 7.57 110.701 -179.865 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 67' ' ' LEU . . . . . 0.401 HD13 HD13 ' C' ' 90' ' ' ILE . 43.3 tp -146.58 115.3 6.83 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.834 -0.621 . . . . 7.44 109.916 179.142 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 68' ' ' LYS . . . . . 0.465 ' HE3' ' HB3' ' C' ' 68' ' ' LYS . 24.5 mmmt 62.42 29.97 17.25 Favored 'General case' 0 C--N 1.332 -0.16 0 O-C-N 123.621 0.576 . . . . 12.88 111.397 179.464 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 69' ' ' GLY . . . . . . . . . . . . . . . 95.26 -31.57 6.94 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.954 -0.641 . . . . 8.93 111.877 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 70' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -70.63 114.18 8.47 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.97 -0.382 . . . . 9.44 109.97 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 71' ' ' VAL . . . . . 0.753 ' H ' ' HB3' ' A' ' 45' ' ' ASP . 60.7 t -63.97 126.29 22.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.594 -0.521 . . . . 7.05 109.594 179.266 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 52.4 mt -80.78 91.39 5.92 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.306 0.574 . . . . 5.9 110.59 -179.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 73' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -69.43 144.72 53.24 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.27 -0.877 . . . . 8.93 109.584 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -49.3 -45.43 45.22 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 113.077 0.769 . . . . 9.91 113.077 -178.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 75' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -80.56 55.6 2.37 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.241 -0.436 . . . . 13.36 112.094 -179.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 76' ' ' LEU . . . . . . . . . . . . . 32.7 tp -139.78 128.38 23.03 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.567 -0.531 . . . . 9.58 109.567 179.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -81.34 149.64 28.82 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.227 -0.442 . . . . 14.32 111.043 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 78' ' ' LEU . . . . . 0.599 ' HA ' ' HG ' ' C' ' 81' ' ' LEU . 21.3 mt -64.05 -17.16 63.1 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.974 -0.557 . . . . 9.53 112.011 -179.256 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 79' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.53 -19.48 63.71 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.339 -0.391 . . . . 12.75 110.875 179.651 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 80' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -96.61 5.14 51.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.106 0.479 . . . . 12.44 111.058 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 81' ' ' LEU . . . . . 0.599 ' HG ' ' HA ' ' C' ' 78' ' ' LEU . 30.1 mt -77.82 122.3 25.25 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.837 0.351 . . . . 10.15 110.396 179.543 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 82' ' ' LYS . . . . . . . . . . . . . 41.2 mmtt -82.26 47.1 1.1 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.157 0.503 . . . . 12.59 110.662 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 83' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -85.52 115.46 27.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.918 -0.583 . . . . 11.5 111.745 -179.35 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 84' ' ' THR . . . . . . . . . . . . . 2.3 p -111.85 162.98 18.78 Favored Pre-proline 0 C--N 1.319 -0.754 0 N-CA-C 108.358 -0.978 . . . . 13.96 108.358 179.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 85' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -54.84 -31.25 71.95 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.81 2.34 . . . . 14.91 112.545 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -72.76 -21.07 61.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.399 -0.364 . . . . 15.11 111.865 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 87' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -155.65 74.51 0.88 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.153 0.501 . . . . 12.35 111.912 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 88' ' ' SER . . . . . . . . . . . . . 1.1 m -96.65 11.57 34.9 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.264 0.554 . . . . 10.32 110.222 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 89' ' ' THR . . . . . . . . . . . . . 11.2 m -88.87 124.87 34.61 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.773 -0.648 . . . . 9.82 112.109 -179.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 90' ' ' ILE . . . . . 0.401 HD13 HD13 ' C' ' 67' ' ' LEU . 49.1 mm -92.56 125.92 45.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 108.469 -0.938 . . . . 6.59 108.469 178.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 91' ' ' THR . . . . . 0.835 ' HB ' ' HG ' ' C' ' 66' ' ' LEU . 2.0 m -74.39 111.64 9.77 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.123 -0.489 . . . . 8.75 110.958 -179.336 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 92' ' ' VAL . . . . . 0.425 ' O ' ' HA ' ' C' ' 26' ' ' LYS . 42.4 t -98.22 129.07 49.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.948 -0.569 . . . . 9.58 110.157 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 93' ' ' MET . . . . . 0.447 ' SD ' HD11 ' C' ' 27' ' ' ILE . 7.9 mtm -135.82 143.04 44.94 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.514 -0.312 . . . . 10.9 110.223 179.426 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 94' ' ' ILE . . . . . 0.56 HD12 ' HE2' ' C' ' 26' ' ' LYS . 63.6 mt -116.9 116.96 53.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 109.794 -0.447 . . . . 13.44 109.794 179.12 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 95' ' ' LYS . . . . . . . . . . . . . 20.3 mmtp -127.6 118.2 21.32 Favored Pre-proline 0 C--N 1.321 -0.64 0 CA-C-N 115.877 -0.601 . . . . 14.6 110.234 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 96' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -61.86 129.73 28.58 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.898 2.399 . . . . 17.56 112.229 -179.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 17.2 t30 68.71 -81.49 0.0 OUTLIER Pre-proline 0 C--O 1.249 1.036 0 CA-C-O 118.038 -0.982 . . . . 18.17 112.487 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 98' ' ' PRO . . . . . . . . . . . . . . . . . . . . 1 C--N 1.248 -4.721 0 O-C-N 122.904 0.949 . . . . 15.75 . . . . . . . . . . 1 1 . 1 stop_ save_