data_1s6j_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 1s6j _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.626 HD12 ' HD2' ' A' ' 29' ' ' PHE . 58.3 tp . . . . . 0 N--CA 1.463 0.193 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.45 ' O ' ' HD3' ' A' ' 30' ' ' LYS . 54.8 mtmt -90.75 -65.94 0.97 Allowed 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -178.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -88.8 -68.38 0.77 Allowed 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 -177.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.428 ' O ' HG13 ' A' ' 32' ' ' ILE . 93.5 mt -66.02 -68.13 0.39 Allowed 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 113.809 1.041 . . . . 0.0 113.809 -176.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.626 ' HD2' HD12 ' A' ' 25' ' ' LEU . 3.4 t80 -37.93 -50.16 1.28 Allowed 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -177.624 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.508 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 29.1 mtpp -62.76 -45.68 91.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.927 0.394 . . . . 0.0 110.928 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 52.6 ttm -64.48 -15.21 60.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.361 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.88 HG22 HD11 ' A' ' 40' ' ' ILE . 66.1 mt -92.74 -47.79 13.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.06 0.457 . . . . 0.0 110.725 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.624 ' HA ' HG12 ' A' ' 40' ' ' ILE . 57.6 t0 -64.78 112.17 3.12 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.584 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 64.6 m -61.82 -10.53 9.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.41 0.624 . . . . 0.0 109.382 179.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.509 ' OD1' ' HB3' ' A' ' 37' ' ' SER . 10.1 t0 -96.65 -24.95 15.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.705 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 55.89 18.8 3.2 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-O 120.863 0.363 . . . . 0.0 110.238 -179.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.509 ' HB3' ' OD1' ' A' ' 35' ' ' ASP . 79.9 p -88.73 -20.35 24.91 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-O 121.153 0.501 . . . . 0.0 110.106 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 111.39 12.98 13.88 Favored Glycine 0 N--CA 1.451 -0.317 0 CA-C-N 115.437 -0.802 . . . . 0.0 112.593 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.452 ' HB ' ' CG2' ' A' ' 75' ' ' THR . 63.9 p -150.91 130.72 13.23 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 179.415 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.88 HD11 HG22 ' A' ' 32' ' ' ILE . 89.8 mt -105.62 139.99 25.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.775 0.322 . . . . 0.0 111.11 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.416 ' O ' ' N ' ' A' ' 44' ' ' GLU . 82.3 p -129.28 143.11 50.72 Favored 'General case' 0 C--O 1.221 -0.406 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.069 179.211 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.731 ' HB2' ' HG2' ' A' ' 65' ' ' MET . 21.8 t80 -35.55 -53.51 0.68 Allowed 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 123.05 0.54 . . . . 0.0 112.239 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.474 ' HA ' ' HZ1' ' A' ' 46' ' ' LYS . 35.8 t70 -47.09 -40.22 14.79 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.149 0.499 . . . . 0.0 110.414 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.498 ' OE2' ' HB2' ' A' ' 35' ' ' ASP . 41.0 mt-10 -87.13 -30.88 20.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.766 179.54 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.532 HD23 ' HB2' ' A' ' 65' ' ' MET . 56.1 tp -51.94 -57.12 10.37 Favored 'General case' 0 N--CA 1.457 -0.105 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.123 -179.428 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.476 ' HB3' HG22 ' A' ' 61' ' ' ILE . 8.4 ptpp? -51.55 -42.77 62.06 Favored 'General case' 0 C--O 1.225 -0.219 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.421 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -49.62 -16.75 0.25 Allowed 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -74.16 -57.9 4.56 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.086 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.53 ' HA ' HG21 ' A' ' 52' ' ' VAL . 3.1 mm? -87.62 -12.84 44.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.897 0.38 . . . . 0.0 110.499 179.55 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.408 ' HD3' ' OE2' ' A' ' 58' ' ' GLU . 22.9 tptm -70.36 -53.79 15.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.525 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 39.1 ttm180 -59.95 -17.73 40.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.564 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.53 HG21 ' HA ' ' A' ' 49' ' ' LEU . 62.4 t -70.04 -31.74 48.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.813 179.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 44.45 48.36 8.62 Favored Glycine 0 C--N 1.332 0.348 0 CA-C-N 116.021 -0.536 . . . . 0.0 113.194 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 37.9 t -91.28 -95.63 0.12 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.696 0.284 . . . . 0.0 110.836 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.95 23.67 1.08 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.954 0.406 . . . . 0.0 110.356 179.638 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 71.0 mt -90.9 160.05 15.9 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.772 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.466 ' HE1' ' HB2' ' A' ' 59' ' ' SER . 20.0 ptm -117.18 125.93 51.98 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.168 179.167 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.451 ' HA ' HG12 ' A' ' 61' ' ' ILE . 4.9 mm-40 -54.56 -9.6 0.33 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.62 -179.64 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.466 ' HB2' ' HE1' ' A' ' 57' ' ' MET . 53.5 m -69.8 -26.82 64.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.829 -179.66 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.454 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 51.1 mt-10 -83.86 -21.32 32.04 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.278 179.711 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.476 HG22 ' HB3' ' A' ' 46' ' ' LYS . 39.8 mm -66.98 -30.43 49.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.008 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.699 ' NZ ' ' HB2' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -85.29 -36.33 20.92 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.696 179.906 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.54 ' N ' ' HD3' ' A' ' 62' ' ' LYS . 58.8 m-20 -73.91 -23.24 59.52 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.181 0.515 . . . . 0.0 109.722 178.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.454 ' HB2' ' O ' ' A' ' 60' ' ' GLU . 4.9 tt -87.12 -39.14 15.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.615 179.475 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.731 ' HG2' ' HB2' ' A' ' 42' ' ' PHE . 14.6 tpt -63.2 -45.11 93.26 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.946 179.523 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -65.79 -42.6 90.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.13 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.78 -30.75 67.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.278 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.542 ' HB1' HD11 ' A' ' 76' ' ' ILE . . . -70.73 -62.63 1.32 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.111 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -88.96 98.48 11.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.122 0.486 . . . . 0.0 110.413 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.505 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 14.3 tt -83.94 -14.79 11.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.846 -179.631 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.505 ' OD2' ' HB3' ' A' ' 73' ' ' SER . 36.6 t70 -64.17 -5.81 5.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.6 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.505 ' HG2' ' O ' ' A' ' 70' ' ' ILE . 31.0 mmmt 44.25 29.05 0.33 Allowed 'General case' 0 C--O 1.232 0.151 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.558 179.433 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.505 ' HB3' ' OD2' ' A' ' 71' ' ' ASP . 84.5 p -85.11 -3.67 58.88 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.717 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 85.02 -11.69 59.66 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.718 -0.753 . . . . 0.0 111.675 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.452 ' CG2' ' HB ' ' A' ' 39' ' ' THR . 86.3 m -129.62 127.82 41.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.788 0.328 . . . . 0.0 110.367 179.712 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.555 HG22 ' HE2' ' A' ' 65' ' ' MET . 9.1 tt -90.3 140.25 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.734 -179.542 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.825 ' HB2' ' HG2' ' A' ' 80' ' ' GLU . 54.1 m-20 -121.87 163.27 19.51 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.002 179.111 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 19.0 t80 -61.26 -30.03 70.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.846 0.355 . . . . 0.0 110.784 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -84.25 -14.09 72.41 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 121.029 -0.605 . . . . 0.0 112.772 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.825 ' HG2' ' HB2' ' A' ' 77' ' ' ASP . 3.9 mm-40 -86.18 -31.07 21.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.91 0.386 . . . . 0.0 110.867 -179.411 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -79.56 -37.52 36.24 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.2 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 2.7 pp . . . . . 0 C--N 1.331 -0.229 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.516 -179.905 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.548 ' HG ' ' H ' ' A' ' 29' ' ' PHE . 26.8 tp . . . . . 0 N--CA 1.464 0.249 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.624 ' HB3' ' HZ3' ' A' ' 26' ' ' LYS . 0.2 OUTLIER -38.93 -29.83 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 -178.756 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -60.46 -55.83 28.78 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.728 0.299 . . . . 0.0 111.078 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.491 ' N ' HD12 ' A' ' 28' ' ' LEU . 6.3 mp -89.58 -57.75 2.77 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -179.438 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.549 ' HA ' HG22 ' A' ' 32' ' ' ILE . 11.5 t80 -39.57 -41.18 0.98 Allowed 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -178.567 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.401 ' CG ' ' N ' ' A' ' 31' ' ' MET . 14.9 pttp -69.9 -43.15 72.32 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.148 0.499 . . . . 0.0 110.886 -179.207 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.401 ' N ' ' CG ' ' A' ' 30' ' ' LYS . 56.1 ttp -68.27 -21.13 64.82 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.644 -179.05 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.549 HG22 ' HA ' ' A' ' 29' ' ' PHE . 11.3 tp -93.26 -25.95 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.134 0.493 . . . . 0.0 110.256 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.458 ' N ' HG21 ' A' ' 32' ' ' ILE . 61.1 t0 -71.81 118.33 14.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.339 179.651 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.722 ' HB ' ' HB2' ' A' ' 44' ' ' GLU . 91.2 m -57.78 -15.18 7.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.001 0.429 . . . . 0.0 110.34 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -104.49 -22.63 13.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.049 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 46.1 t30 55.7 15.94 1.78 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.066 0.46 . . . . 0.0 109.942 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 79.3 p -83.5 -18.61 37.89 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.059 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 111.25 10.38 20.26 Favored Glycine 0 N--CA 1.453 -0.227 0 CA-C-N 115.43 -0.805 . . . . 0.0 112.588 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 67.6 p -146.65 131.96 18.52 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.569 ' HA ' ' OE2' ' A' ' 44' ' ' GLU . 29.5 mt -104.92 131.67 53.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.846 0.355 . . . . 0.0 111.584 -179.564 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.685 HG21 ' HB ' ' A' ' 75' ' ' THR . 63.0 p -111.74 161.91 15.79 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.035 179.243 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.819 ' HB2' ' HG3' ' A' ' 65' ' ' MET . 15.9 t80 -64.92 -35.56 81.54 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.302 179.452 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -58.74 -45.5 89.52 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.874 179.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.722 ' HB2' ' HB ' ' A' ' 34' ' ' THR . 23.6 pt-20 -89.69 -17.74 27.77 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.673 179.528 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.653 HD21 ' HB2' ' A' ' 65' ' ' MET . 49.2 tp -61.44 -53.55 55.0 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.393 -179.222 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.531 ' HZ1' ' HD3' ' A' ' 50' ' ' LYS . 13.5 ptmm? -48.22 -52.69 19.88 Favored 'General case' 0 C--O 1.225 -0.21 0 CA-C-N 115.724 -0.671 . . . . 0.0 112.048 -179.303 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.445 ' N ' ' HG3' ' A' ' 46' ' ' LYS . 33.1 t70 -49.82 -16.04 0.23 Allowed 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -179.511 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -74.24 -54.78 6.03 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.001 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.719 ' HB3' HD23 ' A' ' 56' ' ' LEU . 2.9 mm? -89.73 -14.46 34.62 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.964 0.411 . . . . 0.0 110.125 179.395 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.531 ' HD3' ' HZ1' ' A' ' 46' ' ' LYS . 63.9 tttp -86.32 -23.29 26.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.137 -179.767 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.423 ' HB2' ' O ' ' A' ' 47' ' ' ASP . 37.0 ttm180 -44.83 -32.52 1.6 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.387 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 35.1 m -101.23 -31.45 3.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.346 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 51.69 48.39 50.24 Favored Glycine 0 C--N 1.332 0.313 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.586 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 49.1 m -68.97 -92.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.709 0.29 . . . . 0.0 111.354 -179.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.4 ' O ' ' HG2' ' A' ' 55' ' ' GLU . 41.3 tt0 -122.96 2.09 9.33 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.955 0.407 . . . . 0.0 110.961 -179.508 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.719 HD23 ' HB3' ' A' ' 49' ' ' LEU . 3.3 pp -86.92 142.2 28.18 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-O 121.617 0.722 . . . . 0.0 111.871 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 51.4 tpp -106.53 152.24 23.94 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 114.763 -1.108 . . . . 0.0 109.795 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -53.83 -12.85 0.6 Allowed 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.199 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 79.0 p -69.45 -32.81 71.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.009 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.422 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 17.3 tp10 -67.77 -33.09 74.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.068 179.646 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.404 ' O ' HG23 ' A' ' 61' ' ' ILE . 28.2 mm -62.11 -20.72 24.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.747 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 11.7 mmmm -75.2 -62.61 1.5 Allowed 'General case' 0 CA--C 1.514 -0.428 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 179.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -59.65 -17.32 32.95 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 177.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.429 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 38.5 tp -82.8 -41.4 19.17 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.515 179.418 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.819 ' HG3' ' HB2' ' A' ' 42' ' ' PHE . 15.5 tmm? -88.49 -67.41 0.83 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.517 -179.388 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -42.29 -38.68 1.88 Allowed 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.842 -179.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.33 -41.04 34.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.468 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.429 ' HB3' ' O ' ' A' ' 64' ' ' LEU . . . -56.27 -62.09 1.95 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.909 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.554 ' HB2' ' OD1' ' A' ' 71' ' ' ASP . 8.1 p-10 -97.03 111.49 23.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.589 179.444 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.548 ' O ' ' HG3' ' A' ' 72' ' ' LYS . 8.9 tp -84.05 -21.03 8.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.012 -179.472 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.554 ' OD1' ' HB2' ' A' ' 69' ' ' ASP . 20.8 p-10 -61.42 -15.5 37.58 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.39 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.548 ' HG3' ' O ' ' A' ' 70' ' ' ILE . 38.5 mtpt 56.19 12.85 1.05 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.619 178.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 78.3 p -61.24 -17.78 55.07 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.812 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 106.23 -21.83 32.42 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.735 -0.745 . . . . 0.0 111.957 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.685 ' HB ' HG21 ' A' ' 41' ' ' THR . 4.9 t -133.13 127.77 34.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.751 0.31 . . . . 0.0 110.26 179.603 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.416 ' O ' HG22 ' A' ' 76' ' ' ILE . 12.6 tt -78.21 133.72 29.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.967 0.413 . . . . 0.0 111.588 -179.384 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 57.9 t0 -110.07 147.35 33.76 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.618 179.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.475 ' CE1' ' HB2' ' A' ' 25' ' ' LEU . 22.4 t80 -50.67 -32.97 20.76 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.641 0.258 . . . . 0.0 111.356 -179.362 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.515 ' O ' HG21 ' A' ' 82' ' ' ILE . . . -52.8 -47.0 59.64 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.75 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -88.61 -32.17 18.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.847 0.356 . . . . 0.0 111.342 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -56.91 -21.71 31.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.604 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.515 HG21 ' O ' ' A' ' 79' ' ' GLY . 9.3 tp . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.495 -179.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.633 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 8.8 tt . . . . . 0 N--CA 1.461 0.121 0 CA-C-O 120.598 0.237 . . . . 0.0 111.238 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.552 ' HD2' ' N ' ' A' ' 26' ' ' LYS . 0.2 OUTLIER -90.93 -44.77 9.16 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -178.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -88.46 -68.17 0.78 Allowed 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 -177.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 89.5 mt -72.75 -64.22 1.01 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 -177.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.505 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 4.0 t80 -40.32 -48.69 2.7 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.662 0.615 . . . . 0.0 112.662 -178.244 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.633 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 30.2 mtpp -65.89 -38.53 89.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.778 0.323 . . . . 0.0 111.049 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 51.5 ttm -73.96 -15.08 61.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.072 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.808 HG21 HD12 ' A' ' 40' ' ' ILE . 74.3 mt -92.01 -41.36 12.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.945 0.402 . . . . 0.0 110.7 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.525 ' HA ' HG12 ' A' ' 40' ' ' ILE . 35.5 t70 -65.58 119.83 11.82 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.015 179.53 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.42 HG23 ' O ' ' A' ' 34' ' ' THR . 63.7 m -63.66 -12.68 35.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.246 0.546 . . . . 0.0 109.922 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.416 ' C ' ' N ' ' A' ' 37' ' ' SER . 57.2 m-20 -104.71 -17.27 14.7 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.568 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 52.54 16.21 0.6 Allowed 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 -179.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.416 ' N ' ' C ' ' A' ' 35' ' ' ASP . 66.6 p -75.99 -20.96 57.42 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.666 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 109.88 9.79 23.91 Favored Glycine 0 N--CA 1.453 -0.217 0 CA-C-N 115.201 -0.909 . . . . 0.0 112.686 179.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.424 ' HB ' ' OG1' ' A' ' 75' ' ' THR . 49.6 p -153.43 131.88 12.11 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.043 -0.355 . . . . 0.0 110.043 179.699 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.808 HD12 HG21 ' A' ' 32' ' ' ILE . 96.6 mt -103.39 130.71 53.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.822 0.344 . . . . 0.0 111.106 -179.617 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.621 HG21 ' HB ' ' A' ' 75' ' ' THR . 80.7 p -111.69 146.64 37.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.045 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.709 ' HB2' ' HG3' ' A' ' 65' ' ' MET . 24.2 t80 -37.42 -42.75 0.52 Allowed 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 123.176 0.59 . . . . 0.0 112.026 179.532 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -48.22 -47.91 35.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.773 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.439 ' OE2' HG12 ' A' ' 40' ' ' ILE . 10.0 pt-20 -89.31 -28.34 19.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.962 179.78 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 41.3 tp -42.84 -54.87 3.94 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.897 0.38 . . . . 0.0 111.129 -179.101 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.497 ' HG3' ' H ' ' A' ' 47' ' ' ASP . 13.9 ptmm? -49.71 -57.77 6.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.708 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.743 ' HA ' ' HB3' ' A' ' 50' ' ' LYS . 34.7 t70 -55.66 -16.55 4.31 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 122.483 0.313 . . . . 0.0 111.778 -179.65 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -68.98 -52.14 25.36 Favored Glycine 0 N--CA 1.447 -0.596 0 N-CA-C 110.683 -0.967 . . . . 0.0 110.683 179.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.427 ' O ' HD23 ' A' ' 56' ' ' LEU . 19.5 tp -90.73 -12.85 35.37 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-O 121.041 0.448 . . . . 0.0 109.838 178.689 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.743 ' HB3' ' HA ' ' A' ' 47' ' ' ASP . 1.1 tmtp? -78.17 -27.51 48.04 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.017 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.437 HH11 ' HG3' ' A' ' 51' ' ' ARG . 32.4 tpt85 -44.67 -30.48 0.94 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.701 179.666 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 32.3 m -76.53 -31.8 20.6 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 CA-C-O 120.687 0.28 . . . . 0.0 111.495 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 61.86 48.78 81.61 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.844 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 48.5 t -88.43 -97.92 0.09 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.698 0.285 . . . . 0.0 110.939 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -141.0 41.83 1.81 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.96 0.41 . . . . 0.0 110.468 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.652 HD11 ' H ' ' A' ' 56' ' ' LEU . 6.8 mp -69.54 157.7 36.66 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-O 121.365 0.602 . . . . 0.0 111.636 -179.582 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.472 ' HG3' ' H ' ' A' ' 60' ' ' GLU . 19.5 ptp -126.39 124.52 40.37 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.069 -0.969 . . . . 0.0 109.843 178.78 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 -53.73 -9.64 0.23 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.219 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.466 ' H ' ' C ' ' A' ' 57' ' ' MET . 58.4 m -84.11 -40.01 18.79 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.81 -179.287 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.472 ' H ' ' HG3' ' A' ' 57' ' ' MET . 5.3 tp10 -78.57 -19.53 52.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.738 0.304 . . . . 0.0 110.351 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.675 ' HA ' HD22 ' A' ' 64' ' ' LEU . 33.4 mt -69.02 -40.36 80.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.507 ' HD3' ' N ' ' A' ' 63' ' ' ASP . 0.0 OUTLIER -81.4 -32.0 32.99 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.991 0.424 . . . . 0.0 110.336 179.614 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.507 ' N ' ' HD3' ' A' ' 62' ' ' LYS . 8.5 t70 -73.93 -29.77 62.2 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.151 179.619 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.675 HD22 ' HA ' ' A' ' 61' ' ' ILE . 1.5 pp -80.92 -36.19 31.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.689 179.616 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.709 ' HG3' ' HB2' ' A' ' 42' ' ' PHE . 0.9 OUTLIER -61.41 -49.16 77.98 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.598 179.58 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -71.44 -31.86 67.69 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.055 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.07 -21.26 58.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.681 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.561 ' HB3' ' HA ' ' A' ' 81' ' ' PHE . . . -112.41 -59.89 1.94 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.358 -179.731 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.583 ' HB2' ' HB ' ' A' ' 76' ' ' ILE . 6.2 t70 -54.38 98.64 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.157 0.503 . . . . 0.0 111.321 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 14.4 tt -84.79 -25.17 7.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.978 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.404 ' O ' ' HD2' ' A' ' 72' ' ' LYS . 35.6 t70 -69.16 -7.66 38.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.368 -179.648 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.404 ' HD2' ' O ' ' A' ' 71' ' ' ASP . 1.0 OUTLIER 34.49 33.37 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.524 -0.762 . . . . 0.0 112.146 179.779 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 84.7 p -90.51 -6.64 54.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.974 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 106.84 -20.75 33.31 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.639 -0.791 . . . . 0.0 111.578 -179.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.621 ' HB ' HG21 ' A' ' 41' ' ' THR . 6.4 t -115.37 175.23 5.61 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 179.285 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.583 ' HB ' ' HB2' ' A' ' 69' ' ' ASP . 11.9 tt -156.17 143.5 11.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 120.992 0.425 . . . . 0.0 111.353 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -125.21 170.22 11.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.581 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 3.5 m-30 -51.43 -35.27 38.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.28 179.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.54 -32.99 74.79 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.59 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.467 ' HB2' HG13 ' A' ' 76' ' ' ILE . 46.7 mt-10 -88.32 -59.23 2.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.73 0.3 . . . . 0.0 110.857 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.561 ' HA ' ' HB3' ' A' ' 68' ' ' ALA . 30.0 t80 -43.4 -43.61 5.29 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.73 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 50.4 mm . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.392 -179.571 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.574 ' HB2' ' CB ' ' A' ' 29' ' ' PHE . 3.5 pp . . . . . 0 N--CA 1.466 0.355 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.469 ' HA ' ' HE2' ' A' ' 30' ' ' LYS . 55.9 mtpt -49.42 -16.41 0.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 -179.311 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -83.61 -68.32 0.72 Allowed 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -178.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -90.44 -48.91 6.82 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 -178.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.574 ' CB ' ' HB2' ' A' ' 25' ' ' LEU . 6.5 t80 -43.68 -53.1 6.03 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -177.793 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.678 ' HG2' ' HA2' ' A' ' 38' ' ' GLY . 48.4 mtmt -68.39 -21.05 64.72 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 121.056 -0.258 . . . . 0.0 111.673 -179.106 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 17.6 ttt -81.33 -26.7 35.39 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 120.744 0.307 . . . . 0.0 111.251 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.482 HG21 ' N ' ' A' ' 33' ' ' ASP . 9.4 tp -93.1 -28.51 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.239 0.543 . . . . 0.0 110.379 179.675 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.482 ' N ' HG21 ' A' ' 32' ' ' ILE . 61.2 t0 -59.17 119.6 7.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.568 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 87.4 m -59.67 -12.81 7.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.214 0.53 . . . . 0.0 110.109 179.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.481 ' HB2' ' OE2' ' A' ' 44' ' ' GLU . 54.2 t0 -105.38 -22.57 13.01 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.012 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 49.2 t30 56.04 13.2 1.09 Allowed 'General case' 0 C--N 1.334 -0.107 0 CA-C-O 121.104 0.478 . . . . 0.0 109.978 -179.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 81.0 p -78.08 -19.46 54.16 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.835 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.678 ' HA2' ' HG2' ' A' ' 30' ' ' LYS . . . 111.11 3.78 27.75 Favored Glycine 0 N--CA 1.454 -0.158 0 CA-C-N 115.365 -0.834 . . . . 0.0 112.533 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 75.1 p -144.71 132.81 21.54 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.448 ' O ' HG21 ' A' ' 76' ' ' ILE . 76.8 mt -104.73 128.36 58.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.389 -179.733 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.648 ' HA ' ' HE2' ' A' ' 65' ' ' MET . 1.6 t -104.82 165.58 10.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.861 179.317 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.475 ' HB2' ' HG2' ' A' ' 65' ' ' MET . 15.2 t80 -38.36 -58.22 1.03 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.49 -0.777 . . . . 0.0 112.422 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -52.85 -37.65 60.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.038 0.447 . . . . 0.0 110.571 -179.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.481 ' OE2' ' HB2' ' A' ' 35' ' ' ASP . 91.4 mt-10 -89.15 -13.7 37.81 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.882 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.58 HD23 ' HB2' ' A' ' 65' ' ' MET . 63.3 tp -69.59 -53.27 19.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.739 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.56 ' HB3' ' NZ ' ' A' ' 46' ' ' LYS . 0.3 OUTLIER -57.37 -20.7 31.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.47 -179.689 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.653 ' HA ' ' NZ ' ' A' ' 50' ' ' LYS . 10.0 t70 -65.44 -16.94 64.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.231 0.539 . . . . 0.0 110.372 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -91.81 -42.81 4.65 Favored Glycine 0 N--CA 1.448 -0.541 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.633 HD11 HG12 ' A' ' 61' ' ' ILE . 92.9 mt -73.72 -20.36 60.55 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 178.716 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.653 ' NZ ' ' HA ' ' A' ' 47' ' ' ASP . 6.1 ttpm? -86.54 -41.29 14.46 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.242 179.351 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.522 ' HD3' ' C ' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -60.33 -37.89 82.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.016 -179.845 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.401 HG22 ' N ' ' A' ' 53' ' ' GLY . 33.2 m -65.73 -25.15 35.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.551 -179.503 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.401 ' N ' HG22 ' A' ' 52' ' ' VAL . . . 94.33 49.23 2.44 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.352 -0.927 . . . . 0.0 113.135 179.643 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.725 ' HB2' ' HG ' ' A' ' 56' ' ' LEU . 94.8 p -117.36 118.37 32.05 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 179.209 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.459 ' HA ' ' OE1' ' A' ' 55' ' ' GLU . 4.4 mm-40 -84.63 33.12 0.51 Allowed 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.952 -179.655 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.725 ' HG ' ' HB2' ' A' ' 54' ' ' SER . 38.5 mt -60.45 179.21 0.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.73 -1.123 . . . . 0.0 110.995 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.481 ' HG2' ' H ' ' A' ' 60' ' ' GLU . 1.2 pmm? -82.87 127.36 33.43 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.049 178.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.493 ' HA ' HD12 ' A' ' 61' ' ' ILE . 1.9 pp20? -56.9 -10.18 1.01 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.316 0.579 . . . . 0.0 110.587 179.573 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.448 ' H ' ' C ' ' A' ' 57' ' ' MET . 49.5 m -74.07 -41.25 62.01 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.449 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.517 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 42.9 tp10 -62.38 -15.78 50.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.942 179.151 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.633 HG12 HD11 ' A' ' 49' ' ' LEU . 19.1 mt -89.56 -33.22 5.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.704 -179.388 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.693 ' HD2' ' N ' ' A' ' 63' ' ' ASP . 0.0 OUTLIER -85.83 -33.48 21.32 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 -178.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.693 ' N ' ' HD2' ' A' ' 62' ' ' LYS . 57.1 p30 -82.71 -17.79 43.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.992 0.425 . . . . 0.0 110.461 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.517 ' HB2' ' O ' ' A' ' 60' ' ' GLU . 25.4 tp -86.97 -32.89 19.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.326 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.648 ' HE2' ' HA ' ' A' ' 41' ' ' THR . 12.9 tpt -73.4 -34.09 65.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.217 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -74.69 -32.76 62.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.148 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -84.66 -14.59 48.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.422 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.6 ' HB1' HD11 ' A' ' 76' ' ' ILE . . . -98.8 -20.12 17.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.405 -179.725 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -117.94 89.65 3.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.141 0.496 . . . . 0.0 110.674 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.545 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 2.6 mp -83.76 -21.39 8.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.648 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -58.45 -18.25 27.12 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.819 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.545 ' HG2' ' O ' ' A' ' 70' ' ' ILE . 75.6 mmtt 62.92 12.55 5.9 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 179.6 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 51.0 m -74.46 -3.43 30.66 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.142 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 85.47 -26.18 5.91 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.738 -0.744 . . . . 0.0 111.896 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.554 HG21 ' HB ' ' A' ' 41' ' ' THR . 80.5 p -117.76 141.48 48.35 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 179.379 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.625 ' HA ' ' OE2' ' A' ' 80' ' ' GLU . 10.5 tt -97.59 141.13 16.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.042 0.449 . . . . 0.0 111.586 -179.528 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -134.94 154.86 51.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.634 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.412 ' HB2' HD23 ' A' ' 25' ' ' LEU . 3.4 m-85 -42.27 -40.4 2.42 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.14 -0.482 . . . . 0.0 112.239 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -50.82 -46.87 48.43 Favored Glycine 0 CA--C 1.518 0.274 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.981 -179.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.625 ' OE2' ' HA ' ' A' ' 76' ' ' ILE . 9.4 pt-20 -88.55 -54.01 4.37 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.639 0.257 . . . . 0.0 111.279 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.421 ' HB2' ' CD1' ' A' ' 76' ' ' ILE . 27.5 t80 -42.34 -37.35 1.52 Allowed 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 116.133 -0.485 . . . . 0.0 112.084 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.47 ' C ' HD13 ' A' ' 82' ' ' ILE . 0.1 OUTLIER . . . . . 0 CA--C 1.531 0.247 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.924 -179.289 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.708 HD11 ' HB2' ' A' ' 78' ' ' TYR . 46.5 mt . . . . . 0 C--O 1.231 0.113 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.482 ' O ' ' HD3' ' A' ' 30' ' ' LYS . 14.5 mmmm -57.78 -19.15 26.09 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.263 -179.643 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.467 ' CG ' HD11 ' A' ' 28' ' ' LEU . 87.5 tt0 -89.35 -67.91 0.81 Allowed 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 112.597 0.592 . . . . 0.0 112.597 -179.227 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.467 HD11 ' CG ' ' A' ' 27' ' ' GLU . 4.2 mp -89.92 -67.55 0.84 Allowed 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -178.164 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.638 ' HB3' ' HB3' ' A' ' 25' ' ' LEU . 10.3 t80 -34.94 -43.08 0.18 Allowed 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 -177.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.482 ' HD3' ' O ' ' A' ' 26' ' ' LYS . 13.0 pttm -64.74 -42.17 95.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.963 0.411 . . . . 0.0 111.116 -178.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 50.2 ttm -64.22 -27.03 68.78 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.442 -179.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.427 ' HA ' HD12 ' A' ' 32' ' ' ILE . 10.6 tp -92.56 -21.33 6.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.016 0.436 . . . . 0.0 110.701 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.448 ' OD2' ' HB3' ' A' ' 35' ' ' ASP . 31.0 t70 -85.67 125.08 32.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.46 179.549 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 72.6 m -59.94 -13.79 12.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.976 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.448 ' HB3' ' OD2' ' A' ' 33' ' ' ASP . 28.5 t70 -103.56 -16.41 15.54 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.259 -179.704 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.2 m120 50.87 18.91 0.56 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.257 179.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 81.0 p -83.69 -17.85 39.98 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-O 121.35 0.595 . . . . 0.0 109.493 179.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 107.2 4.81 35.34 Favored Glycine 0 N--CA 1.451 -0.336 0 CA-C-N 114.971 -1.013 . . . . 0.0 112.045 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 81.6 p -134.89 132.01 38.01 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 48.5 mt -104.58 138.47 29.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.832 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 60.4 p -120.24 151.43 39.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.379 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.798 ' HB2' ' HG2' ' A' ' 65' ' ' MET . 19.1 t80 -44.25 -43.6 7.38 Favored 'General case' 0 N--CA 1.454 -0.271 0 O-C-N 123.335 0.397 . . . . 0.0 110.891 179.496 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -54.21 -42.13 69.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.949 179.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.482 ' O ' ' HB2' ' A' ' 47' ' ' ASP . 36.6 mt-10 -89.42 -16.19 31.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.094 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.51 ' CD2' ' HB2' ' A' ' 65' ' ' MET . 21.1 tp -58.6 -64.14 1.03 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.057 0.456 . . . . 0.0 110.591 -179.28 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 61.6 pttt -49.31 -32.9 11.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.746 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.778 ' HA ' ' HZ1' ' A' ' 50' ' ' LYS . 1.1 m-20 -48.11 -16.71 0.1 Allowed 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -179.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -64.89 -61.81 5.52 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.584 -0.817 . . . . 0.0 111.365 179.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.432 ' HB3' HD11 ' A' ' 56' ' ' LEU . 6.2 mp -90.25 -14.03 34.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.862 0.363 . . . . 0.0 110.208 179.03 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.778 ' HZ1' ' HA ' ' A' ' 47' ' ' ASP . 0.0 OUTLIER -74.25 -32.52 63.0 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.54 -179.855 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.4 HH11 ' HG2' ' A' ' 51' ' ' ARG . 55.1 ttp85 -47.8 -36.76 12.28 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.563 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 35.0 m -89.64 -28.51 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.394 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 60.79 48.81 84.37 Favored Glycine 0 C--N 1.332 0.336 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.76 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 46.8 t -86.4 -95.47 0.08 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.628 0.251 . . . . 0.0 110.957 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -147.56 69.58 1.15 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.982 0.42 . . . . 0.0 110.374 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.514 ' H ' HD22 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -91.97 179.53 5.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.509 -179.641 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.476 ' O ' HG13 ' A' ' 61' ' ' ILE . 3.1 mpp? -114.02 98.73 7.16 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.76 178.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -60.93 -17.54 51.78 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 179.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.434 ' O ' ' HG3' ' A' ' 62' ' ' LYS . 78.8 p -87.79 -17.66 31.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 114.948 -1.024 . . . . 0.0 111.111 179.582 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.428 ' HG3' ' HG ' ' A' ' 64' ' ' LEU . 17.0 tp10 -90.4 -39.85 12.42 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.008 0.432 . . . . 0.0 109.948 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.484 HG21 HD23 ' A' ' 45' ' ' LEU . 31.6 mt -59.39 -26.09 33.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.561 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.6 ' HD3' ' N ' ' A' ' 63' ' ' ASP . 0.0 OUTLIER -73.53 -43.31 60.27 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.663 0.268 . . . . 0.0 110.726 -179.91 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.6 ' N ' ' HD3' ' A' ' 62' ' ' LYS . 2.9 p30 -80.11 -23.75 41.0 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 179.426 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.428 ' HG ' ' HG3' ' A' ' 60' ' ' GLU . 24.8 mt -72.64 -26.23 61.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.911 178.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.798 ' HG2' ' HB2' ' A' ' 42' ' ' PHE . 12.9 tpt -83.93 -39.65 19.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.468 179.388 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -74.65 -22.79 58.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.016 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.49 -56.86 12.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.208 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.731 ' HB2' HD11 ' A' ' 76' ' ' ILE . . . -72.6 -50.94 21.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -81.91 100.5 9.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.0 0.428 . . . . 0.0 110.776 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.53 ' O ' ' HG3' ' A' ' 72' ' ' LYS . 14.3 tt -84.21 -22.78 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.511 179.749 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.431 ' C ' ' H ' ' A' ' 73' ' ' SER . 59.7 t0 -56.14 -24.57 41.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.608 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.53 ' HG3' ' O ' ' A' ' 70' ' ' ILE . 40.6 mttm 63.56 5.26 2.08 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-O 121.242 0.544 . . . . 0.0 110.157 -179.619 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.431 ' H ' ' C ' ' A' ' 71' ' ' ASP . 80.5 p -70.45 0.76 6.03 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.384 -0.826 . . . . 0.0 111.188 -179.638 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.47 -10.1 38.59 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.135 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 71.7 p -119.89 127.46 52.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.812 0.339 . . . . 0.0 110.622 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.731 HD11 ' HB2' ' A' ' 68' ' ' ALA . 10.7 tt -96.38 134.9 32.29 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.093 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -117.9 162.95 17.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.669 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.708 ' HB2' HD11 ' A' ' 25' ' ' LEU . 30.2 t80 -62.15 -31.25 71.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.913 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.94 -44.39 97.48 Favored Glycine 0 CA--C 1.519 0.334 0 CA-C-N 115.825 -0.625 . . . . 0.0 113.706 -178.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.56 ' OE2' ' HA ' ' A' ' 76' ' ' ILE . 22.0 pt-20 -86.95 -43.3 12.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.882 0.341 . . . . 0.0 111.426 -179.263 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -44.88 -45.51 10.33 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.364 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 10.2 tp . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.393 -179.692 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.716 ' HG ' ' H ' ' A' ' 29' ' ' PHE . 14.0 tp . . . . . 0 N--CA 1.463 0.201 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -40.61 -22.68 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 25' ' ' LEU . 17.6 tp10 -83.72 -47.01 11.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.873 0.368 . . . . 0.0 111.443 -179.682 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.419 ' HB3' ' CD1' ' A' ' 25' ' ' LEU . 64.0 tp -88.48 -52.28 5.26 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.945 -0.57 . . . . 0.0 112.067 -178.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.716 ' H ' ' HG ' ' A' ' 25' ' ' LEU . 6.0 t80 -41.94 -43.22 3.03 Favored 'General case' 0 N--CA 1.463 0.188 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -178.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.7 pttp -70.58 -40.12 73.46 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.167 0.508 . . . . 0.0 110.691 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 56.9 ttp -74.42 -18.13 60.7 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.776 -179.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.628 HG23 ' HA ' ' A' ' 29' ' ' PHE . 10.5 tp -92.24 -25.48 5.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.124 0.488 . . . . 0.0 110.3 179.712 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.452 ' OD2' ' HB3' ' A' ' 35' ' ' ASP . 30.7 t70 -82.91 125.16 31.06 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.018 179.216 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.439 HG21 ' HB3' ' A' ' 44' ' ' GLU . 5.0 t -56.43 -31.61 64.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.394 0.616 . . . . 0.0 110.51 -179.585 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.596 ' HB2' ' OE2' ' A' ' 44' ' ' GLU . 20.5 t70 -80.87 -20.06 43.1 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.766 -179.563 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.9 m120 50.78 19.55 0.63 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.856 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.408 ' HB3' ' OD2' ' A' ' 35' ' ' ASP . 84.5 p -82.64 -16.88 46.63 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-O 121.423 0.63 . . . . 0.0 109.5 179.679 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.7 17.6 14.48 Favored Glycine 0 N--CA 1.451 -0.342 0 CA-C-N 114.972 -1.013 . . . . 0.0 112.153 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 72.1 p -150.29 132.43 15.35 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.469 HG22 ' N ' ' A' ' 41' ' ' THR . 69.5 mt -104.61 143.66 15.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.756 -0.378 . . . . 0.0 111.304 -179.66 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.469 ' N ' HG22 ' A' ' 40' ' ' ILE . 75.6 p -134.15 150.44 51.11 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.401 179.488 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.525 ' HB2' ' HG2' ' A' ' 65' ' ' MET . 15.4 t80 -34.8 -61.51 0.4 Allowed 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 123.483 0.713 . . . . 0.0 112.613 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -51.53 -37.75 50.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.981 0.42 . . . . 0.0 110.738 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.596 ' OE2' ' HB2' ' A' ' 35' ' ' ASP . 38.9 mt-10 -87.3 -17.21 32.99 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.082 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.508 HD21 ' HB2' ' A' ' 65' ' ' MET . 35.3 tp -67.23 -61.72 1.78 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.205 0.526 . . . . 0.0 110.728 -179.725 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.623 ' HB3' HG22 ' A' ' 61' ' ' ILE . 22.3 pttp -55.29 -33.04 62.91 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.12 -179.647 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.498 ' O ' ' HB2' ' A' ' 51' ' ' ARG . 7.6 t70 -45.68 -16.16 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.164 -0.471 . . . . 0.0 112.044 -179.748 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.407 ' H ' ' C ' ' A' ' 46' ' ' LYS . . . -68.72 -64.05 3.23 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.155 -1.021 . . . . 0.0 111.86 179.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -91.5 -13.51 32.04 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.739 0.304 . . . . 0.0 110.794 179.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.768 ' HE3' HD13 ' A' ' 56' ' ' LEU . 11.9 mptt -86.71 -15.19 40.26 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.68 0.622 . . . . 0.0 112.68 -178.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.498 ' HB2' ' O ' ' A' ' 47' ' ' ASP . 30.1 tpt180 -70.73 -11.84 61.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.095 0.474 . . . . 0.0 110.247 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.485 HG11 ' OG ' ' A' ' 54' ' ' SER . 7.1 p -85.12 -28.39 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.997 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 62.65 49.03 76.88 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.871 -0.681 . . . . 0.0 113.051 179.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.485 ' OG ' HG11 ' A' ' 52' ' ' VAL . 70.7 m -80.86 -107.57 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.922 0.361 . . . . 0.0 110.711 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.41 ' O ' ' HG2' ' A' ' 55' ' ' GLU . 36.4 tt0 -143.07 30.61 1.42 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.443 0.639 . . . . 0.0 109.667 179.554 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.768 HD13 ' HE3' ' A' ' 50' ' ' LYS . 0.6 OUTLIER -81.59 168.05 18.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.718 -179.775 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.473 ' HG3' ' HG2' ' A' ' 60' ' ' GLU . 19.9 ptt? -123.1 119.61 30.8 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.294 -0.867 . . . . 0.0 110.596 179.688 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.435 ' OE1' ' N ' ' A' ' 58' ' ' GLU . 0.3 OUTLIER -58.44 -9.33 1.54 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.675 179.698 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.409 ' H ' ' C ' ' A' ' 57' ' ' MET . 89.1 p -63.05 -18.9 63.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.221 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.473 ' HG2' ' HG3' ' A' ' 57' ' ' MET . 5.1 mm-40 -86.05 -42.45 13.94 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.476 179.175 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.68 HD12 ' HZ2' ' A' ' 50' ' ' LYS . 41.5 mm -52.92 -18.82 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.236 179.356 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 12.4 mmmm -73.07 -64.95 0.87 Allowed 'General case' 0 CA--C 1.514 -0.413 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 179.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -58.55 -17.22 19.86 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 177.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.57 ' O ' ' HB2' ' A' ' 68' ' ' ALA . 57.1 mt -85.64 -37.56 19.36 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 115.041 -0.981 . . . . 0.0 111.25 179.614 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.525 ' HG2' ' HB2' ' A' ' 42' ' ' PHE . 15.8 tpt -88.37 -58.16 2.66 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.741 0.305 . . . . 0.0 111.353 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -46.96 -43.59 19.33 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.877 -179.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.81 -21.19 48.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.524 -179.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.57 ' HB2' ' O ' ' A' ' 64' ' ' LEU . . . -71.52 -34.26 69.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.628 -179.627 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.592 ' HA ' ' HB3' ' A' ' 80' ' ' GLU . 7.1 t70 -114.84 128.08 56.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.006 0.431 . . . . 0.0 111.176 -179.692 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.632 HG23 ' HG3' ' A' ' 80' ' ' GLU . 0.0 OUTLIER -83.39 -27.44 7.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.828 -179.29 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.592 ' C ' ' HD3' ' A' ' 72' ' ' LYS . 63.3 m-20 -71.26 0.31 8.24 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -179.489 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.592 ' HD3' ' C ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER 34.14 36.97 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.047 0.451 . . . . 0.0 111.237 -179.768 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 53.1 p -91.9 -2.08 56.99 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.529 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 85.13 -10.33 63.72 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.652 -0.785 . . . . 0.0 111.816 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.46 ' OG1' HG23 ' A' ' 41' ' ' THR . 94.6 m -123.57 127.27 48.06 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 179.674 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.456 HG22 ' HE2' ' A' ' 65' ' ' MET . 10.6 tt -97.87 137.99 23.9 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 CA-C-O 121.203 0.525 . . . . 0.0 111.708 -179.543 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -120.36 177.7 4.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.043 179.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.499 ' CE1' ' HB2' ' A' ' 25' ' ' LEU . 28.1 t80 -56.75 -32.85 66.0 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.013 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.4 -41.4 99.76 Favored Glycine 0 CA--C 1.519 0.321 0 C-N-CA 121.019 -0.61 . . . . 0.0 113.451 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.632 ' HG3' HG23 ' A' ' 70' ' ' ILE . 5.5 mp0 -84.79 -35.78 22.14 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.913 0.356 . . . . 0.0 110.987 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -52.05 -44.81 64.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.31 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 8.0 tp . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.393 -179.678 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.715 HD22 ' H ' ' A' ' 25' ' ' LEU . 2.0 pt? . . . . . 0 N--CA 1.461 0.113 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.44 ' O ' ' HD3' ' A' ' 30' ' ' LYS . 40.1 ttmt -73.89 -67.5 0.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -179.075 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -89.35 -67.57 0.83 Allowed 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 -178.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -46.36 -60.74 2.15 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 113.127 0.788 . . . . 0.0 113.127 -177.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.614 ' HB2' ' HA ' ' A' ' 25' ' ' LEU . 5.5 m-85 -61.13 -62.28 1.96 Allowed 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 -178.281 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.526 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 29.3 mtpp -45.59 -26.17 0.56 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.874 0.368 . . . . 0.0 111.227 -179.374 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 51.0 ttm -89.67 -35.85 15.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.244 179.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.792 HG21 HD12 ' A' ' 40' ' ' ILE . 74.0 mt -93.97 -65.7 1.07 Allowed 'Isoleucine or valine' 0 CA--C 1.521 -0.14 0 CA-C-O 120.972 0.415 . . . . 0.0 110.93 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.412 ' N ' ' O ' ' A' ' 29' ' ' PHE . 54.5 t0 -44.84 110.45 0.23 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.989 179.763 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 52.4 m -62.06 -9.88 8.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.251 0.548 . . . . 0.0 109.743 179.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.528 ' HB2' ' OE1' ' A' ' 44' ' ' GLU . 53.5 t0 -98.89 -23.33 15.39 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.279 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.1 m120 52.84 19.38 1.29 Allowed 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 -179.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 79.8 p -81.31 -14.17 57.63 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 121.466 0.65 . . . . 0.0 109.378 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.662 ' HA2' ' HB2' ' A' ' 25' ' ' LEU . . . 104.86 10.12 33.3 Favored Glycine 0 N--CA 1.45 -0.424 0 CA-C-N 114.814 -1.084 . . . . 0.0 112.092 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 35.8 m -141.53 131.08 23.9 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.623 -0.288 . . . . 0.0 110.253 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.792 HD12 HG21 ' A' ' 32' ' ' ILE . 96.7 mt -105.27 121.46 57.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 120.909 -0.317 . . . . 0.0 111.15 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.581 HG23 ' HB ' ' A' ' 75' ' ' THR . 63.2 p -111.95 136.54 51.15 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.188 179.408 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.454 ' CE1' HG23 ' A' ' 61' ' ' ILE . 29.4 t80 -34.72 -50.1 0.45 Allowed 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 123.25 0.62 . . . . 0.0 111.906 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -48.07 -44.29 31.33 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.135 0.493 . . . . 0.0 110.259 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.528 ' OE1' ' HB2' ' A' ' 35' ' ' ASP . 29.5 mt-10 -82.44 -35.12 27.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.479 179.336 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.588 ' CD2' ' HB2' ' A' ' 65' ' ' MET . 41.4 tp -48.82 -54.86 13.45 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.035 -179.364 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.609 ' HB3' ' NZ ' ' A' ' 46' ' ' LYS . 8.1 mtpm? -50.57 -47.75 57.82 Favored 'General case' 0 C--O 1.224 -0.245 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.237 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.478 ' HA ' ' HB3' ' A' ' 50' ' ' LYS . 8.7 t70 -50.1 -17.11 0.37 Allowed 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.513 -179.707 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -69.67 -54.98 10.48 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.944 -0.646 . . . . 0.0 111.568 179.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 87.1 mt -89.69 -13.21 37.43 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 178.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.478 ' HB3' ' HA ' ' A' ' 47' ' ' ASP . 88.4 tttt -86.21 -21.76 27.29 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.805 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 30.2 tpt180 -45.1 -33.16 2.04 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.986 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.421 HG21 ' N ' ' A' ' 53' ' ' GLY . 27.0 m -105.5 -28.92 2.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.144 179.743 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.441 ' HA2' HD23 ' A' ' 56' ' ' LEU . . . 56.51 48.21 78.14 Favored Glycine 0 C--N 1.331 0.284 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.637 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 46.9 t -72.92 -83.93 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.785 0.326 . . . . 0.0 110.933 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -145.87 22.92 1.41 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.618 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.441 HD23 ' HA2' ' A' ' 53' ' ' GLY . 1.8 pt? -55.92 164.19 1.26 Allowed 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 121.396 0.617 . . . . 0.0 111.681 -179.621 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.469 ' C ' ' H ' ' A' ' 59' ' ' SER . 21.4 ptp -126.11 122.65 36.35 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.861 178.752 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -53.33 -9.16 0.15 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.428 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.469 ' H ' ' C ' ' A' ' 57' ' ' MET . 48.2 t -76.24 -41.22 49.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.386 -179.279 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.617 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 69.6 mm-40 -73.5 -16.3 61.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.867 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.598 HG21 ' HA ' ' A' ' 46' ' ' LYS . 16.5 mt -86.37 -47.09 16.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.021 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.655 ' HD3' ' N ' ' A' ' 63' ' ' ASP . 0.0 OUTLIER -73.42 -30.6 63.33 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.87 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.655 ' N ' ' HD3' ' A' ' 62' ' ' LYS . 60.0 t0 -79.37 -19.14 50.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.342 0.591 . . . . 0.0 109.527 179.243 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.617 ' HB2' ' O ' ' A' ' 60' ' ' GLU . 36.6 tp -86.22 -30.11 22.64 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.208 179.653 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.588 ' HB2' ' CD2' ' A' ' 45' ' ' LEU . 10.2 tmm? -89.01 -64.99 1.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.22 -179.623 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.517 ' HA ' ' OD1' ' A' ' 69' ' ' ASP . 63.6 t0 -54.7 -62.01 1.93 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.167 -178.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.43 -7.31 1.32 Allowed 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -178.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -106.01 -20.89 13.29 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.815 0.302 . . . . 0.0 111.815 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.633 ' HB3' ' HB ' ' A' ' 76' ' ' ILE . 1.4 p-10 -110.33 131.07 55.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.986 0.422 . . . . 0.0 110.154 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.519 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 9.1 tp -84.58 -29.01 6.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.966 -178.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.424 ' N ' HG23 ' A' ' 70' ' ' ILE . 66.3 m-20 -56.48 -24.97 49.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.955 -179.748 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.616 ' NZ ' ' HB3' ' A' ' 72' ' ' LYS . 2.7 mmmp? 57.62 15.16 2.7 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-O 121.324 0.583 . . . . 0.0 109.652 -179.266 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 78.6 p -78.34 -5.61 52.69 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.095 -0.957 . . . . 0.0 111.569 -179.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 98.45 -14.29 62.24 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.097 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.581 ' HB ' HG23 ' A' ' 41' ' ' THR . 9.8 t -117.46 177.7 4.65 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 179.473 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.633 ' HB ' ' HB3' ' A' ' 69' ' ' ASP . 12.1 tt -157.79 145.08 9.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 CA-C-O 121.217 0.532 . . . . 0.0 112.299 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.561 ' OD1' ' HB2' ' A' ' 80' ' ' GLU . 6.6 p-10 -120.33 169.27 10.44 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.314 178.707 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -64.88 -40.63 95.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.903 0.383 . . . . 0.0 111.358 -178.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -74.43 -13.77 81.43 Favored Glycine 0 N--CA 1.453 -0.23 0 CA-C-N 115.915 -0.584 . . . . 0.0 113.054 -179.245 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.561 ' HB2' ' OD1' ' A' ' 77' ' ' ASP . 88.4 tt0 -79.45 -55.02 5.36 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.97 0.414 . . . . 0.0 110.793 -179.513 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -50.93 -36.08 36.66 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.231 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 8.1 tp . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.361 -179.731 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.527 HD11 ' HD2' ' A' ' 29' ' ' PHE . 31.3 tp . . . . . 0 N--CA 1.467 0.418 0 N-CA-C 113.059 0.763 . . . . 0.0 113.059 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.639 ' HB2' ' NZ ' ' A' ' 26' ' ' LYS . 4.8 ttmp? -90.73 -68.17 0.8 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 -178.216 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -89.44 -68.26 0.79 Allowed 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 -177.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -60.14 -66.38 0.53 Allowed 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 113.301 0.852 . . . . 0.0 113.301 -177.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.554 ' HA ' HG22 ' A' ' 32' ' ' ILE . 3.6 t80 -43.55 -46.05 6.89 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -177.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.47 ' HG2' ' O ' ' A' ' 25' ' ' LEU . 14.3 mmmm -70.52 -29.66 66.22 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -179.29 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 54.6 ttp -89.76 -14.42 34.61 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -178.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.554 HG22 ' HA ' ' A' ' 29' ' ' PHE . 14.5 tt -92.53 -28.28 4.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.734 0.302 . . . . 0.0 111.61 -178.714 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -89.1 124.99 34.83 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.447 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.46 ' O ' HG21 ' A' ' 34' ' ' THR . 89.3 m -65.03 -15.04 61.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.149 0.499 . . . . 0.0 110.124 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -100.57 -19.73 16.01 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.691 -0.686 . . . . 0.0 112.197 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 49.56 22.28 0.73 Allowed 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 81.0 p -84.65 -15.88 43.86 Favored 'General case' 0 CA--C 1.511 -0.528 0 CA-C-O 121.52 0.676 . . . . 0.0 109.318 -179.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.24 25.19 7.17 Favored Glycine 0 N--CA 1.449 -0.456 0 CA-C-N 114.788 -1.096 . . . . 0.0 111.76 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 54.7 m -161.62 132.96 5.36 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.558 -0.321 . . . . 0.0 110.41 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.53 HD12 HG23 ' A' ' 32' ' ' ILE . 50.4 mt -104.96 150.67 7.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.936 0.398 . . . . 0.0 111.217 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.562 ' O ' ' N ' ' A' ' 45' ' ' LEU . 21.3 m -133.77 165.69 24.39 Favored 'General case' 0 C--O 1.22 -0.453 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 179.236 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -59.6 -54.24 48.82 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 122.519 0.328 . . . . 0.0 111.151 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -55.51 -29.99 59.86 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.317 0.58 . . . . 0.0 109.673 179.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -89.24 -22.9 22.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.579 179.015 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.562 ' N ' ' O ' ' A' ' 41' ' ' THR . 59.2 tp -66.93 -64.25 0.89 Allowed 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.039 -0.982 . . . . 0.0 111.005 -179.331 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.651 ' HA ' HD12 ' A' ' 61' ' ' ILE . 14.2 ptmm? -55.76 -38.38 69.76 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.475 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -66.11 -16.64 64.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.088 0.471 . . . . 0.0 110.461 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -89.03 -41.37 5.91 Favored Glycine 0 N--CA 1.45 -0.4 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.258 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.564 HD11 HD11 ' A' ' 56' ' ' LEU . 7.8 tt -77.16 -20.37 55.59 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 178.5 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -84.74 -36.46 21.77 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.264 179.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 55.1 ttp180 -51.04 -30.64 16.11 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.962 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 34.4 m -88.97 -30.79 5.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.899 179.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 67.73 49.07 52.05 Favored Glycine 0 C--N 1.332 0.329 0 C-N-CA 120.708 -0.758 . . . . 0.0 113.032 179.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 60.3 m -60.67 -101.15 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.757 0.279 . . . . 0.0 110.913 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -175.38 42.36 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.771 0.319 . . . . 0.0 110.847 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.564 HD11 HD11 ' A' ' 49' ' ' LEU . 16.5 mt -111.89 178.75 4.21 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 121.281 0.562 . . . . 0.0 111.281 -179.677 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.558 ' HG3' ' HG ' ' A' ' 59' ' ' SER . 50.3 tpp -107.16 125.21 50.79 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.281 178.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.601 ' HA ' HD13 ' A' ' 61' ' ' ILE . 11.9 pm0 -50.47 -10.68 0.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.18 0.514 . . . . 0.0 111.564 -179.617 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.568 ' O ' ' HG3' ' A' ' 62' ' ' LYS . 53.9 m -67.4 -44.9 77.72 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.371 -179.575 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.499 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 43.5 tt0 -68.23 -20.07 64.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.855 0.36 . . . . 0.0 110.209 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.651 HD12 ' HA ' ' A' ' 46' ' ' LYS . 46.9 mt -69.11 -37.74 77.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.491 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.568 ' HG3' ' O ' ' A' ' 59' ' ' SER . 0.0 OUTLIER -73.41 -35.94 65.91 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.667 0.27 . . . . 0.0 110.576 -179.704 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -78.89 -24.26 44.29 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 121.135 0.493 . . . . 0.0 109.734 179.012 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.499 ' HB2' ' O ' ' A' ' 60' ' ' GLU . 34.7 tp -75.0 -29.6 60.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.85 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.423 ' HB3' ' HE1' ' A' ' 65' ' ' MET . 13.2 tmm? -82.64 -45.36 14.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.95 -179.63 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -63.4 -52.51 61.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.352 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.38 -7.47 31.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.846 -179.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.465 ' HB3' HD12 ' A' ' 76' ' ' ILE . . . -94.81 -48.77 5.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.78 0.324 . . . . 0.0 111.469 -179.727 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.663 ' HB2' HD13 ' A' ' 76' ' ' ILE . 25.1 t70 -94.49 118.71 32.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.077 0.465 . . . . 0.0 110.893 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.437 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 14.4 tt -83.58 -19.86 9.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.533 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.574 ' HB2' ' OE2' ' A' ' 80' ' ' GLU . 58.2 t0 -64.24 -13.0 46.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.309 179.612 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.437 ' HG2' ' O ' ' A' ' 70' ' ' ILE . 45.4 mmtm 46.73 28.02 0.75 Allowed 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.925 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 81.0 p -94.17 -1.37 54.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.055 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.464 ' O ' HG23 ' A' ' 41' ' ' THR . . . 90.01 -16.28 57.41 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.442 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 69.3 p -110.75 127.63 55.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.857 0.36 . . . . 0.0 110.812 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.663 HD13 ' HB2' ' A' ' 69' ' ' ASP . 6.7 tp -98.47 140.57 17.95 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.481 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -128.49 152.85 47.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.471 179.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 3.9 m-30 -60.33 -14.02 16.12 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.756 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -88.23 -40.87 6.37 Favored Glycine 0 N--CA 1.453 -0.185 0 C-N-CA 120.571 -0.823 . . . . 0.0 112.956 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.574 ' OE2' ' HB2' ' A' ' 71' ' ' ASP . 51.1 mt-10 -88.15 -20.92 24.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.864 0.364 . . . . 0.0 111.032 -179.514 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -60.64 -56.01 26.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.759 179.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 8.8 tp . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.96 -179.922 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.718 HD12 ' HA2' ' A' ' 38' ' ' GLY . 29.1 tp . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.768 0.318 . . . . 0.0 111.576 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -73.28 -67.7 0.56 Allowed 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -178.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -89.13 -67.71 0.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -178.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 96.0 mt -44.81 -63.72 0.85 Allowed 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 113.29 0.848 . . . . 0.0 113.29 -177.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.561 ' HB2' ' HA ' ' A' ' 25' ' ' LEU . 10.8 m-85 -59.29 -65.21 0.71 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -178.169 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.571 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 27.6 mtpp -41.95 -30.81 0.29 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.897 -178.735 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 54.7 ttm -89.83 -31.7 17.25 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.639 HG23 HD11 ' A' ' 40' ' ' ILE . 47.3 mm -93.87 -65.32 1.12 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.398 0 CA-C-O 121.066 0.46 . . . . 0.0 110.224 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.55 ' HA ' ' OE2' ' A' ' 44' ' ' GLU . 67.8 t0 -48.81 102.45 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.7 179.112 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 90.5 m -59.94 -15.68 23.8 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-O 121.63 0.729 . . . . 0.0 109.385 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.473 ' HB3' ' OG ' ' A' ' 37' ' ' SER . 66.2 m-20 -100.74 -17.78 16.79 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 114.675 -1.148 . . . . 0.0 111.96 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.436 ' ND2' ' HA ' ' A' ' 30' ' ' LYS . 4.1 m120 51.03 17.7 0.47 Allowed 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 -178.734 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.473 ' OG ' ' HB3' ' A' ' 35' ' ' ASP . 15.9 m -69.84 -15.73 63.15 Favored 'General case' 0 CA--C 1.511 -0.54 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.718 ' HA2' HD12 ' A' ' 25' ' ' LEU . . . 101.29 3.88 53.63 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 114.484 -1.235 . . . . 0.0 111.792 -179.433 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 69.4 p -139.19 136.47 35.08 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.639 HD11 HG23 ' A' ' 32' ' ' ILE . 59.4 mt -104.1 136.48 37.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.848 -179.633 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.582 ' HA ' ' HE3' ' A' ' 65' ' ' MET . 15.5 m -131.7 162.45 30.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.355 -179.449 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.567 ' HE1' ' HB ' ' A' ' 61' ' ' ILE . 55.1 t80 -49.24 -32.22 10.23 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 124.035 0.934 . . . . 0.0 112.217 179.68 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -66.5 -58.44 5.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.085 0.469 . . . . 0.0 110.642 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.637 ' OE2' ' HA ' ' A' ' 40' ' ' ILE . 12.6 pt-20 -75.55 -17.31 60.11 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.248 179.681 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.448 ' CD2' ' HB2' ' A' ' 65' ' ' MET . 37.6 tp -55.46 -67.1 0.31 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.117 -179.117 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.76 ' HB3' HD12 ' A' ' 61' ' ' ILE . 26.1 pttm -54.96 -38.57 67.94 Favored 'General case' 0 C--O 1.222 -0.366 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.83 -179.24 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.468 ' O ' ' HB2' ' A' ' 51' ' ' ARG . 30.3 m-20 -46.14 -15.02 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 -179.559 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.405 ' H ' ' C ' ' A' ' 46' ' ' LYS . . . -86.65 -60.3 1.72 Allowed Glycine 0 N--CA 1.453 -0.194 0 C-N-CA 120.733 -0.746 . . . . 0.0 113.437 -178.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 87.1 mt -85.27 -21.37 29.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.142 0.496 . . . . 0.0 110.759 -179.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.845 ' HE3' ' HB3' ' A' ' 56' ' ' LEU . 11.6 mptt -86.78 -15.18 40.1 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.104 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.512 ' HD3' ' C ' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -43.24 -35.9 1.6 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.832 179.685 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 35.5 m -101.35 -22.41 4.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.375 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 59.07 48.26 86.78 Favored Glycine 0 C--N 1.331 0.297 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.222 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 45.5 t -75.56 -84.03 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.782 0.289 . . . . 0.0 111.782 -179.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -115.1 -16.1 11.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.606 -178.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.845 ' HB3' ' HE3' ' A' ' 50' ' ' LYS . 3.0 mm? -49.42 148.64 2.61 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-O 121.472 0.653 . . . . 0.0 112.106 -179.591 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.497 ' C ' ' H ' ' A' ' 59' ' ' SER . 48.6 ttm -126.05 132.7 51.9 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 114.899 -1.046 . . . . 0.0 109.427 178.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.497 ' HA ' ' CD1' ' A' ' 61' ' ' ILE . 38.6 tt0 -51.18 -9.71 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.538 -179.714 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.497 ' H ' ' C ' ' A' ' 57' ' ' MET . 86.4 p -85.13 -41.47 15.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.98 -179.159 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.457 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 44.1 tt0 -64.4 -25.16 67.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.559 0.219 . . . . 0.0 111.058 -179.436 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.76 HD12 ' HB3' ' A' ' 46' ' ' LYS . 3.9 mt -63.15 -24.6 36.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.349 -179.484 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.438 ' HE3' ' O ' ' A' ' 58' ' ' GLU . 29.1 mmtp -70.84 -64.23 0.94 Allowed 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 121.104 0.478 . . . . 0.0 109.748 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.418 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 8.7 t70 -59.42 -17.13 28.08 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 178.274 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.47 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 40.6 tp -80.61 -45.68 16.9 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.514 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.582 ' HE3' ' HA ' ' A' ' 41' ' ' THR . 0.0 OUTLIER -88.07 -55.77 3.61 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.655 -178.932 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -50.44 -40.71 51.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.452 -179.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' A' ' 63' ' ' ASP . . . -83.09 -17.35 43.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.728 0.299 . . . . 0.0 111.298 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.47 ' HB3' ' O ' ' A' ' 64' ' ' LEU . . . -62.65 -56.64 15.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.173 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.564 ' HB2' ' OE1' ' A' ' 80' ' ' GLU . 7.4 p-10 -110.3 127.64 55.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.123 0.487 . . . . 0.0 110.491 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.591 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 15.9 tt -83.91 -14.39 11.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.541 -179.568 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.436 ' HB2' ' OE2' ' A' ' 80' ' ' GLU . 56.9 t0 -59.01 -20.66 55.12 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.45 179.749 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.591 ' HG2' ' O ' ' A' ' 70' ' ' ILE . 34.0 mmtp 58.36 15.24 3.33 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-N 115.987 -0.552 . . . . 0.0 109.943 -179.487 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 87.3 p -77.34 0.74 21.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.371 -0.832 . . . . 0.0 111.382 -179.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.567 ' O ' ' HE2' ' A' ' 65' ' ' MET . . . 78.23 -3.36 62.48 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.259 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 70.3 p -140.44 132.53 27.94 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 179.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.537 HD11 ' HB2' ' A' ' 81' ' ' PHE . 15.0 tt -94.58 140.62 16.36 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 CA-C-O 121.091 0.472 . . . . 0.0 111.73 -179.33 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -110.76 167.96 9.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.248 179.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.486 ' HB2' ' CZ ' ' A' ' 29' ' ' PHE . 33.2 t80 -73.24 -32.35 64.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.169 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -74.16 -26.4 68.6 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.776 -0.726 . . . . 0.0 113.113 -179.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.564 ' OE1' ' HB2' ' A' ' 69' ' ' ASP . 34.2 tt0 -88.49 -43.11 11.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.913 0.387 . . . . 0.0 110.764 -179.775 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.537 ' HB2' HD11 ' A' ' 76' ' ' ILE . 28.9 t80 -57.38 -42.64 82.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.145 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 13.8 tt . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.393 -179.668 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.2 tm? . . . . . 0 CA--C 1.532 0.266 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -92.53 -69.54 0.74 Allowed 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 114.774 1.398 . . . . 0.0 114.774 -177.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -89.51 -67.88 0.81 Allowed 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 -176.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.523 ' H ' HD23 ' A' ' 28' ' ' LEU . 3.8 mm? -38.37 -35.87 0.2 Allowed 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 -177.465 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.407 ' HD1' ' HA ' ' A' ' 29' ' ' PHE . 0.5 OUTLIER -55.27 -58.09 9.14 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.914 0.388 . . . . 0.0 111.264 -179.699 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -70.84 -21.14 62.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.627 -179.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 25.1 mmt -88.02 -17.51 31.03 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -178.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.604 HG21 HD13 ' A' ' 40' ' ' ILE . 29.9 mm -93.67 -54.42 7.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.365 0.603 . . . . 0.0 109.796 179.273 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.4 ' OD2' ' N ' ' A' ' 36' ' ' ASN . 12.4 t70 -56.58 105.78 0.24 Allowed 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.988 179.084 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.1 t -56.89 -25.6 57.34 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-O 121.748 0.785 . . . . 0.0 109.61 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -76.72 -24.91 53.07 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.262 -1.335 . . . . 0.0 110.299 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.4 ' N ' ' OD2' ' A' ' 33' ' ' ASP . 5.3 m120 53.37 16.66 0.91 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.002 -179.365 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 70.6 p -77.31 -19.26 56.64 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 107.83 14.57 16.99 Favored Glycine 0 N--CA 1.451 -0.324 0 CA-C-N 114.972 -1.013 . . . . 0.0 112.373 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.546 ' HB ' ' CG2' ' A' ' 75' ' ' THR . 24.2 p -157.44 142.61 17.0 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.604 HD13 HG21 ' A' ' 32' ' ' ILE . 84.2 mt -104.58 143.71 15.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.662 0.268 . . . . 0.0 110.966 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.578 ' N ' HG23 ' A' ' 40' ' ' ILE . 82.8 p -134.26 145.14 48.83 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.286 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.583 ' HB2' ' HG2' ' A' ' 65' ' ' MET . 35.1 t80 -34.83 -43.25 0.18 Allowed 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 123.333 0.653 . . . . 0.0 112.391 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -48.28 -49.64 32.86 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.935 0.398 . . . . 0.0 110.748 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.519 ' HG2' ' O ' ' A' ' 41' ' ' THR . 12.7 pt-20 -86.61 -33.24 20.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.546 179.596 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.521 HD22 ' HB3' ' A' ' 65' ' ' MET . 48.5 tp -43.64 -62.57 1.05 Allowed 'General case' 0 C--O 1.231 0.131 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.471 -179.594 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.447 ' HG3' ' N ' ' A' ' 47' ' ' ASP . 14.1 ptmm? -49.62 -54.49 18.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.901 -179.522 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.611 ' HA ' ' HB3' ' A' ' 50' ' ' LYS . 58.7 m-20 -64.01 -16.07 60.82 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.773 0.32 . . . . 0.0 111.46 -179.589 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -74.88 -43.58 27.29 Favored Glycine 0 CA--C 1.505 -0.533 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.491 ' O ' HG23 ' A' ' 52' ' ' VAL . 28.8 tp -89.43 -19.38 25.22 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 178.606 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.611 ' HB3' ' HA ' ' A' ' 47' ' ' ASP . 57.4 tptt -79.18 -26.38 42.68 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.994 179.502 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.451 ' HE ' ' HA ' ' A' ' 51' ' ' ARG . 5.6 tpm_? -46.62 -30.04 2.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.088 179.624 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 49' ' ' LEU . 23.8 m -89.9 -31.45 5.27 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.273 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 59.01 49.46 78.26 Favored Glycine 0 C--N 1.332 0.339 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.929 179.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 44.6 t -79.78 -99.13 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.825 0.312 . . . . 0.0 110.851 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -141.16 54.1 1.56 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.987 0.422 . . . . 0.0 110.071 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.425 HD21 ' HA ' ' A' ' 50' ' ' LYS . 1.1 pp -103.57 164.45 11.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.462 0.649 . . . . 0.0 112.568 -179.007 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.596 ' HE2' ' HB3' ' A' ' 59' ' ' SER . 21.1 ptm -126.53 120.9 30.8 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.934 -1.03 . . . . 0.0 109.644 178.712 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -55.23 -9.71 0.46 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.77 -179.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.596 ' HB3' ' HE2' ' A' ' 57' ' ' MET . 43.5 t -75.67 -28.78 58.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.338 -179.322 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.429 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 58.5 mm-40 -89.16 -17.81 28.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.96 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.446 HG21 ' HA ' ' A' ' 46' ' ' LYS . 41.2 mm -69.45 -39.93 79.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.75 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.587 ' HD2' ' N ' ' A' ' 63' ' ' ASP . 0.0 OUTLIER -75.81 -27.7 58.02 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.997 0.427 . . . . 0.0 110.524 179.823 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.587 ' N ' ' HD2' ' A' ' 62' ' ' LYS . 8.9 t70 -86.26 -18.86 30.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.108 179.523 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.501 ' O ' ' HB1' ' A' ' 68' ' ' ALA . 41.8 tp -78.52 -44.41 24.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.416 179.758 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.583 ' HG2' ' HB2' ' A' ' 42' ' ' PHE . 3.7 ppp? -73.4 -19.78 60.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.979 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -84.07 -40.4 18.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.805 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -79.77 -46.94 16.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.265 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.501 ' HB1' ' O ' ' A' ' 64' ' ' LEU . . . -59.74 -53.68 55.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.222 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.458 ' HB2' ' HB ' ' A' ' 76' ' ' ILE . 4.4 t70 -83.53 114.57 21.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.078 0.466 . . . . 0.0 110.697 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 14.2 tt -85.25 -20.63 8.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.024 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.504 ' O ' ' HG3' ' A' ' 72' ' ' LYS . 29.9 t70 -63.76 -10.45 19.8 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.226 -179.655 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.504 ' HG3' ' O ' ' A' ' 71' ' ' ASP . 7.2 pttm 39.92 27.05 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.603 179.675 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 89.2 p -90.72 -0.97 57.87 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.221 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 88.1 -19.15 36.23 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.565 -0.826 . . . . 0.0 111.571 -179.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.546 ' CG2' ' HB ' ' A' ' 39' ' ' THR . 96.7 m -111.33 127.17 55.56 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 179.2 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.458 ' HB ' ' HB2' ' A' ' 69' ' ' ASP . 14.1 tt -114.85 152.51 16.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 -178.167 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -131.07 154.63 48.05 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 114.659 -1.155 . . . . 0.0 109.329 178.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.494 ' HE1' HD12 ' A' ' 40' ' ' ILE . 2.2 m-85 -70.63 -20.44 62.73 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.998 -179.744 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -83.53 -23.58 53.28 Favored Glycine 0 CA--C 1.521 0.442 0 C-N-CA 120.794 -0.717 . . . . 0.0 113.826 -179.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -88.15 -36.37 16.89 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 117.221 0.511 . . . . 0.0 111.635 -179.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -48.05 -24.2 1.02 Allowed 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.9 mp . . . . . 0 C--N 1.331 -0.223 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -178.818 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.455 ' O ' ' HB2' ' A' ' 30' ' ' LYS . 66.7 mttm -92.29 -68.78 0.78 Allowed 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 115.46 1.652 . . . . 0.0 115.46 -177.133 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -90.32 -69.62 0.72 Allowed 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 116.163 1.912 . . . . 0.0 116.163 -175.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.773 ' H ' HD12 ' A' ' 28' ' ' LEU . 10.1 mp -38.51 -64.1 0.45 Allowed 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 -175.72 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.54 ' HA ' HG22 ' A' ' 32' ' ' ILE . 2.1 t80 -71.53 -57.59 4.28 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -177.463 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.553 ' HZ1' ' HA3' ' A' ' 38' ' ' GLY . 73.9 mmtt -47.85 -25.53 1.33 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -178.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 50.5 ttm -90.15 -22.56 21.67 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 112.534 0.568 . . . . 0.0 112.534 -178.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.61 HD13 HD12 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -91.72 -39.85 11.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.549 0.214 . . . . 0.0 110.886 -179.242 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.419 ' N ' HG21 ' A' ' 32' ' ' ILE . 30.4 t70 -53.49 126.09 20.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.916 0.389 . . . . 0.0 110.443 179.585 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 89.3 m -61.93 -15.83 46.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.111 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -104.42 -13.76 15.97 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.662 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 71.6 m-20 53.2 16.77 0.86 Allowed 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 -179.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 59.7 p -80.01 -19.07 48.62 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.752 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.553 ' HA3' ' HZ1' ' A' ' 30' ' ' LYS . . . 107.01 0.59 35.93 Favored Glycine 0 N--CA 1.452 -0.266 0 CA-C-N 115.21 -0.904 . . . . 0.0 112.726 179.651 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.597 ' HB ' ' HB ' ' A' ' 75' ' ' THR . 75.5 p -139.05 131.59 28.74 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 179.566 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.61 HD12 HD13 ' A' ' 32' ' ' ILE . 72.8 mt -104.31 140.74 21.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.992 -179.608 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.5 ' O ' ' N ' ' A' ' 45' ' ' LEU . 2.1 t -116.24 165.01 13.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.01 0.433 . . . . 0.0 111.401 179.732 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.404 ' HB2' ' HG3' ' A' ' 65' ' ' MET . 28.1 t80 -37.65 -61.54 0.61 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.83 -1.077 . . . . 0.0 112.6 179.767 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.553 ' HA ' ' HE2' ' A' ' 46' ' ' LYS . 8.5 t70 -51.4 -38.69 54.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.853 0.358 . . . . 0.0 111.147 -179.308 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 77.5 mt-10 -89.29 -14.03 36.7 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.863 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 41' ' ' THR . 42.5 tp -72.49 -49.75 30.84 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.584 -179.776 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.553 ' HE2' ' HA ' ' A' ' 43' ' ' ASP . 59.4 pttt -60.29 -22.17 62.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.619 -0.718 . . . . 0.0 111.182 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.72 ' HA ' ' HB3' ' A' ' 50' ' ' LYS . 33.3 t70 -56.49 -17.44 8.3 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.033 0.444 . . . . 0.0 110.398 179.644 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -70.43 -48.64 35.95 Favored Glycine 0 N--CA 1.45 -0.429 0 N-CA-C 111.101 -0.8 . . . . 0.0 111.101 179.15 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.545 ' N ' HD21 ' A' ' 49' ' ' LEU . 2.9 mm? -89.96 -13.95 35.1 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 178.621 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.72 ' HB3' ' HA ' ' A' ' 47' ' ' ASP . 87.4 tttt -75.54 -38.71 59.1 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.546 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 56.7 ttp180 -44.91 -38.15 4.45 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.303 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.456 HG21 ' N ' ' A' ' 53' ' ' GLY . 35.5 m -89.67 -30.35 5.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.154 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.456 ' N ' HG21 ' A' ' 52' ' ' VAL . . . 45.42 48.29 11.54 Favored Glycine 0 C--N 1.333 0.37 0 CA-C-N 116.147 -0.479 . . . . 0.0 113.287 179.48 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 46.0 t -79.64 -81.93 0.11 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.86 0.362 . . . . 0.0 110.739 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.415 ' O ' ' HG2' ' A' ' 55' ' ' GLU . 86.3 tt0 -150.32 39.85 0.76 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.397 0.618 . . . . 0.0 109.788 179.562 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.9 pp -60.55 178.4 0.22 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.976 -179.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.41 ' HG2' ' HB3' ' A' ' 59' ' ' SER . 49.0 ttm -126.34 107.18 10.06 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.01 -0.996 . . . . 0.0 109.569 178.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -58.17 -12.81 3.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.132 0.492 . . . . 0.0 110.231 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.41 ' HB3' ' HG2' ' A' ' 57' ' ' MET . 47.4 t -87.68 -27.97 22.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.728 179.406 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.428 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 44.8 tt0 -70.2 -33.11 71.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.692 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.457 HG23 ' O ' ' A' ' 61' ' ' ILE . 35.2 mm -59.75 -18.77 15.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.734 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 26.6 mmmt -73.99 -65.01 0.89 Allowed 'General case' 0 CA--C 1.513 -0.463 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 179.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -57.6 -17.17 12.93 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 178.001 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.428 ' HB2' ' O ' ' A' ' 60' ' ' GLU . 5.0 tt -86.28 -35.34 19.99 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.453 179.767 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.474 ' O ' ' HB1' ' A' ' 68' ' ' ALA . 11.4 tmm? -87.79 -57.9 2.77 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.204 -179.536 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -48.95 -36.77 18.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.315 -179.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -92.86 -12.53 30.8 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.549 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.501 ' HB3' HD12 ' A' ' 76' ' ' ILE . . . -59.89 -57.85 11.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.753 -179.723 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.636 ' HB3' ' HA ' ' A' ' 76' ' ' ILE . 12.5 p-10 -105.56 129.27 53.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.285 0.564 . . . . 0.0 111.233 -179.455 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.612 ' O ' ' HD3' ' A' ' 72' ' ' LYS . 0.2 OUTLIER -83.61 -12.73 11.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.062 179.624 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -69.0 -11.24 60.6 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.925 -1.034 . . . . 0.0 110.478 179.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.612 ' HD3' ' O ' ' A' ' 70' ' ' ILE . 0.5 OUTLIER 43.08 30.24 0.25 Allowed 'General case' 0 CA--C 1.522 -0.126 0 CA-C-O 121.117 0.484 . . . . 0.0 111.396 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 93.0 p -93.49 -0.39 56.4 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.925 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 87.26 -7.88 78.99 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.503 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.597 ' HB ' ' HB ' ' A' ' 39' ' ' THR . 73.5 p -124.0 131.24 53.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.843 0.354 . . . . 0.0 110.887 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.636 ' HA ' ' HB3' ' A' ' 69' ' ' ASP . 9.3 tt -90.37 148.62 4.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.481 -179.759 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -131.07 149.37 52.64 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.516 -0.766 . . . . 0.0 109.551 179.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -51.47 -41.0 60.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.752 0.31 . . . . 0.0 111.56 -179.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -72.57 -26.13 72.45 Favored Glycine 0 CA--C 1.517 0.178 0 C-N-CA 120.964 -0.636 . . . . 0.0 113.116 -179.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.404 ' OE1' ' HB2' ' A' ' 69' ' ' ASP . 94.5 mt-10 -88.12 -23.03 23.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.911 0.386 . . . . 0.0 111.075 -179.757 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -66.19 -33.61 76.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.9 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 13.7 tt . . . . . 0 C--N 1.331 -0.212 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.057 -179.998 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.546 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 2.4 tm? . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.751 0.31 . . . . 0.0 111.625 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.935 ' HA ' ' HE3' ' A' ' 30' ' ' LYS . 6.5 ttpm? -76.41 -30.73 57.57 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -178.201 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -89.01 -68.94 0.74 Allowed 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 -177.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.533 ' HG ' ' H ' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -90.73 -56.47 3.17 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 114.511 1.3 . . . . 0.0 114.511 -177.427 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.533 ' H ' ' HG ' ' A' ' 28' ' ' LEU . 0.9 OUTLIER -37.36 -65.25 0.32 Allowed 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 -176.833 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.935 ' HE3' ' HA ' ' A' ' 26' ' ' LYS . 10.4 mtmp? -53.42 -44.36 68.73 Favored 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 111.738 0.273 . . . . 0.0 111.738 -179.262 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.48 ' HB2' ' HE2' ' A' ' 31' ' ' MET . 44.5 tpp -56.29 -21.57 24.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.807 0.337 . . . . 0.0 111.111 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.658 HG22 HD11 ' A' ' 40' ' ' ILE . 48.9 mm -93.5 -59.01 3.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.244 0.545 . . . . 0.0 110.43 179.532 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.51 ' OD2' ' HB3' ' A' ' 35' ' ' ASP . 30.8 t70 -57.6 111.35 1.09 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.201 -0.908 . . . . 0.0 110.794 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.472 HG23 ' O ' ' A' ' 34' ' ' THR . 60.8 m -61.99 -9.85 8.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.09 0.471 . . . . 0.0 110.134 179.568 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.51 ' HB3' ' OD2' ' A' ' 33' ' ' ASP . 53.6 t0 -94.31 -23.06 17.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.644 -179.619 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.6 m120 54.67 15.23 1.02 Allowed 'General case' 0 C--O 1.231 0.092 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.112 -179.229 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 81.0 p -80.9 -21.28 40.72 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-O 121.201 0.524 . . . . 0.0 110.007 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.517 ' HA2' HD21 ' A' ' 25' ' ' LEU . . . 109.33 10.73 23.28 Favored Glycine 0 N--CA 1.452 -0.284 0 CA-C-N 115.341 -0.845 . . . . 0.0 112.138 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 52.5 p -151.35 134.54 15.98 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.658 HD11 HG22 ' A' ' 32' ' ' ILE . 80.7 mt -103.75 149.3 7.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.743 0.306 . . . . 0.0 111.001 -179.741 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.78 HG22 HG22 ' A' ' 75' ' ' THR . 82.0 p -136.4 141.57 43.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.241 179.496 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.491 ' CZ ' ' HB3' ' A' ' 62' ' ' LYS . 26.0 t80 -38.5 -35.01 0.16 Allowed 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -58.53 -50.2 74.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.007 0.432 . . . . 0.0 110.428 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.463 ' OE1' ' HB2' ' A' ' 35' ' ' ASP . 13.0 pt-20 -86.81 -17.14 34.15 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.628 179.404 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.638 HD23 ' HB3' ' A' ' 65' ' ' MET . 20.9 tp -59.69 -61.37 2.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.844 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.471 ' HA ' HG23 ' A' ' 61' ' ' ILE . 22.1 pttp -57.33 -39.87 76.79 Favored 'General case' 0 C--O 1.224 -0.248 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.402 -179.706 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 54.5 t0 -51.14 -16.35 0.47 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.843 0.354 . . . . 0.0 111.356 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -75.38 -54.76 5.41 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.721 -0.752 . . . . 0.0 111.925 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.487 HD23 ' N ' ' A' ' 49' ' ' LEU . 2.8 mm? -87.25 -13.0 45.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.878 0.37 . . . . 0.0 110.093 179.4 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -77.86 -43.15 31.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.882 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.2 tpp85 -49.76 -35.32 21.93 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.184 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.442 HG21 ' N ' ' A' ' 53' ' ' GLY . 34.2 m -87.7 -29.99 5.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.228 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.442 ' N ' HG21 ' A' ' 52' ' ' VAL . . . 49.08 48.71 31.36 Favored Glycine 0 C--N 1.332 0.354 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.91 179.501 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 42.1 t -86.33 -95.78 0.08 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.699 0.285 . . . . 0.0 110.835 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -135.88 66.61 1.5 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.073 0.463 . . . . 0.0 110.249 179.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.521 HD13 ' N ' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -106.13 177.69 4.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.566 -179.515 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.526 ' O ' HG13 ' A' ' 61' ' ' ILE . 73.0 mtp -125.3 108.02 11.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.223 179.496 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.413 ' HA ' HD11 ' A' ' 61' ' ' ILE . 88.8 tt0 -56.34 -14.72 3.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.154 0.502 . . . . 0.0 109.975 179.453 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 45.2 t -87.63 -41.13 13.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.86 179.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.513 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 44.5 tt0 -67.45 -34.12 76.55 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.557 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.526 HG13 ' O ' ' A' ' 57' ' ' MET . 59.0 mt -52.88 -51.66 35.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.491 ' HB3' ' CZ ' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -79.67 -33.58 41.08 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.897 -179.89 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.404 ' N ' ' HD3' ' A' ' 62' ' ' LYS . 85.8 m-20 -68.23 -17.86 64.42 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.057 0.456 . . . . 0.0 110.336 179.041 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.513 ' HB2' ' O ' ' A' ' 60' ' ' GLU . 1.1 tm? -85.51 -53.46 5.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.441 -179.607 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.638 ' HB3' HD23 ' A' ' 45' ' ' LEU . 4.2 ppp? -66.97 -26.02 66.61 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.247 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -62.78 -36.05 81.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.105 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -92.64 -28.7 16.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.417 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -74.75 -4.9 40.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.131 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -126.68 103.72 7.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.554 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.524 HG23 ' O ' ' A' ' 70' ' ' ILE . 80.9 mt -83.6 -24.98 7.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.596 -179.486 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.569 ' C ' ' HD3' ' A' ' 72' ' ' LYS . 59.6 m-20 -71.47 6.62 1.73 Allowed 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 111.729 0.27 . . . . 0.0 111.729 -179.634 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.569 ' HD3' ' C ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER 32.36 43.29 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 122.755 0.422 . . . . 0.0 111.716 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 80.4 p -104.59 -3.33 23.96 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.841 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 82.65 0.72 90.27 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.594 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.78 HG22 HG22 ' A' ' 41' ' ' THR . 70.1 p -125.11 126.17 44.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.705 0.288 . . . . 0.0 110.637 179.715 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.514 ' HA ' ' OE1' ' A' ' 80' ' ' GLU . 6.3 tt -93.22 122.67 44.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.998 0.428 . . . . 0.0 111.603 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.421 ' HA ' ' HZ ' ' A' ' 29' ' ' PHE . 10.3 p-10 -121.01 163.1 18.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.659 179.401 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.479 ' CE2' ' HB2' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -57.01 -13.7 2.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.485 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -79.91 -30.67 42.22 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.372 179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.514 ' OE1' ' HA ' ' A' ' 76' ' ' ILE . 46.7 mt-10 -86.42 -54.97 4.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.719 0.295 . . . . 0.0 110.628 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -38.13 -39.8 0.44 Allowed 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.73 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.426 HG13 ' O ' ' A' ' 78' ' ' TYR . 75.1 mt . . . . . 0 C--N 1.331 -0.234 0 CA-C-O 120.816 0.341 . . . . 0.0 110.864 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.632 ' HA ' ' HB3' ' A' ' 29' ' ' PHE . 10.5 tt . . . . . 0 CA--C 1.528 0.134 0 N-CA-C 111.731 0.271 . . . . 0.0 111.731 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.562 ' HB3' ' NZ ' ' A' ' 26' ' ' LYS . 8.5 mtpm? -89.03 -68.12 0.79 Allowed 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -179.157 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -89.64 -68.26 0.79 Allowed 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 114.409 1.263 . . . . 0.0 114.409 -177.339 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.478 ' O ' HG13 ' A' ' 32' ' ' ILE . 95.3 mt -69.4 -68.21 0.42 Allowed 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 114.48 1.289 . . . . 0.0 114.48 -176.239 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.632 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 13.7 t80 -36.89 -46.18 0.61 Allowed 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 -176.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.504 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 59.1 mtpt -62.66 -50.81 69.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.973 0.416 . . . . 0.0 111.02 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 54.3 ttp -64.69 -14.45 58.49 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.181 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.478 HG13 ' O ' ' A' ' 28' ' ' LEU . 67.3 mt -92.9 -59.01 3.25 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.314 0 CA-C-O 121.232 0.539 . . . . 0.0 110.459 -179.602 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.591 ' HA ' HG13 ' A' ' 40' ' ' ILE . 8.2 t0 -62.05 98.56 0.11 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.96 179.645 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 82.3 m -58.68 -10.24 2.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.437 0.637 . . . . 0.0 109.305 179.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.665 ' OD1' ' HB3' ' A' ' 37' ' ' SER . 10.5 t0 -108.78 -19.43 13.42 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.064 -0.971 . . . . 0.0 111.408 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 74.6 m-80 52.17 15.17 0.41 Allowed 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 120.806 -0.358 . . . . 0.0 111.095 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.665 ' HB3' ' OD1' ' A' ' 35' ' ' ASP . 98.2 p -74.42 -17.92 60.73 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-O 121.493 0.663 . . . . 0.0 109.412 179.651 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.523 ' HA2' ' HE2' ' A' ' 29' ' ' PHE . . . 111.63 4.69 26.44 Favored Glycine 0 N--CA 1.452 -0.282 0 CA-C-N 114.904 -1.043 . . . . 0.0 113.009 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 61.1 p -147.65 131.6 17.17 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.381 -0.229 . . . . 0.0 110.381 179.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.591 HG13 ' HA ' ' A' ' 33' ' ' ASP . 2.5 mp -104.38 133.35 48.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.828 0.347 . . . . 0.0 111.631 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.46 ' OG1' ' HG3' ' A' ' 44' ' ' GLU . 52.8 p -127.96 140.59 51.9 Favored 'General case' 0 C--O 1.218 -0.564 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 178.564 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -34.52 -49.13 0.39 Allowed 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 123.099 0.56 . . . . 0.0 112.177 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -56.39 -43.46 79.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.012 0.434 . . . . 0.0 110.518 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.46 ' HG3' ' OG1' ' A' ' 41' ' ' THR . 25.7 mt-10 -85.26 -20.08 30.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.05 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.559 HD23 ' HB2' ' A' ' 65' ' ' MET . 55.3 tp -67.41 -65.23 0.71 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.665 -178.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.538 ' HZ3' ' HD2' ' A' ' 50' ' ' LYS . 14.7 ptmm? -56.55 -33.32 66.01 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.349 -179.327 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.674 ' HA ' ' HG2' ' A' ' 50' ' ' LYS . 50.2 t0 -58.45 -15.5 11.15 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.041 0.448 . . . . 0.0 110.903 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -91.29 -39.38 5.69 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.973 -0.632 . . . . 0.0 112.101 -179.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.78 ' HB3' HD13 ' A' ' 56' ' ' LEU . 91.5 mt -90.46 -13.45 34.78 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.879 0.371 . . . . 0.0 110.529 179.64 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.674 ' HG2' ' HA ' ' A' ' 47' ' ' ASP . 19.9 ptmt -86.51 -43.33 12.83 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.072 179.686 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.498 ' HA ' ' NE ' ' A' ' 51' ' ' ARG . 6.2 tpm_? -61.09 -15.69 35.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.191 179.407 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.412 ' O ' HG13 ' A' ' 52' ' ' VAL . 94.0 t -77.53 -31.67 17.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.036 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 52.45 48.2 55.29 Favored Glycine 0 C--N 1.33 0.237 0 C-N-CA 120.99 -0.624 . . . . 0.0 112.912 179.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 42.7 p -93.24 -96.85 0.14 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.718 0.259 . . . . 0.0 110.944 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -144.93 22.31 1.58 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.997 0.427 . . . . 0.0 110.662 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.78 HD13 ' HB3' ' A' ' 49' ' ' LEU . 93.1 mt -91.64 147.93 22.64 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 121.366 0.603 . . . . 0.0 112.027 -179.55 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.442 ' C ' ' H ' ' A' ' 59' ' ' SER . 50.6 ttm -111.89 137.07 50.37 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.001 -1.0 . . . . 0.0 109.477 179.023 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -53.29 -10.5 0.22 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.734 -179.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.442 ' H ' ' C ' ' A' ' 57' ' ' MET . 80.9 p -76.47 -31.41 57.76 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.345 -179.344 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.414 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 50.3 mt-10 -74.83 -23.69 58.49 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.693 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.538 HG23 HD22 ' A' ' 45' ' ' LEU . 37.9 mm -64.16 -20.27 26.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.968 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.62 ' HB3' ' NZ ' ' A' ' 62' ' ' LYS . 0.1 OUTLIER -73.2 -65.12 0.85 Allowed 'General case' 0 CA--C 1.513 -0.474 0 CA-C-N 116.152 -0.477 . . . . 0.0 109.765 179.479 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -57.31 -17.19 11.01 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 178.076 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.414 ' HB2' ' O ' ' A' ' 60' ' ' GLU . 36.4 tp -81.0 -42.82 20.56 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.019 -0.991 . . . . 0.0 110.794 179.633 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.559 ' HB2' HD23 ' A' ' 45' ' ' LEU . 11.7 tmm? -88.28 -60.65 1.91 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.157 -179.552 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -44.42 -27.83 0.49 Allowed 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.102 -0.499 . . . . 0.0 112.086 -179.245 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -89.17 -44.47 10.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.681 0.277 . . . . 0.0 111.554 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.87 -28.17 69.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.409 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.634 ' HB2' ' HB ' ' A' ' 76' ' ' ILE . 8.1 t70 -126.39 96.75 4.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.21 0.528 . . . . 0.0 110.864 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.492 ' O ' ' HG3' ' A' ' 72' ' ' LYS . 64.4 mt -84.09 -10.32 11.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.606 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.411 ' C ' ' H ' ' A' ' 73' ' ' SER . 39.0 t70 -58.81 -9.11 1.59 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.005 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.492 ' HG3' ' O ' ' A' ' 70' ' ' ILE . 41.4 mttp 66.66 0.67 1.92 Allowed 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.944 179.723 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.411 ' H ' ' C ' ' A' ' 71' ' ' ASP . 79.8 p -80.03 -8.19 59.24 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.222 -179.617 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 78.24 -8.46 39.14 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.644 -0.789 . . . . 0.0 111.877 -179.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 69.3 m -116.52 127.53 54.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.643 0.259 . . . . 0.0 110.407 179.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.634 ' HB ' ' HB2' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -97.72 135.62 31.53 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 CA-C-O 121.305 0.574 . . . . 0.0 111.639 -179.889 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.565 ' HB3' ' HG3' ' A' ' 80' ' ' GLU . 9.7 t70 -109.77 159.73 16.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 114.848 -1.069 . . . . 0.0 109.825 179.215 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.476 ' O ' HG22 ' A' ' 82' ' ' ILE . 34.2 m-85 -45.89 -50.62 14.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.802 0.334 . . . . 0.0 111.806 -179.357 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -72.62 -14.57 77.73 Favored Glycine 0 C--N 1.331 0.258 0 CA-C-N 115.944 -0.571 . . . . 0.0 114.098 -178.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.565 ' HG3' ' HB3' ' A' ' 77' ' ' ASP . 93.1 mt-10 -81.81 -53.12 6.44 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.034 0.445 . . . . 0.0 110.726 -179.678 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.465 ' HB2' HD11 ' A' ' 76' ' ' ILE . 32.5 t80 -59.41 -30.31 68.37 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.8 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.476 HG22 ' O ' ' A' ' 78' ' ' TYR . 12.5 tt . . . . . 0 CA--C 1.531 0.245 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -178.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.607 ' HA ' ' HB3' ' A' ' 29' ' ' PHE . 3.3 tm? . . . . . 0 N--CA 1.464 0.257 0 CA-C-O 120.691 0.281 . . . . 0.0 111.437 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.428 ' O ' ' HG2' ' A' ' 30' ' ' LYS . 28.0 tptp -85.45 -67.98 0.76 Allowed 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 -179.041 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.473 ' O ' ' HB2' ' A' ' 31' ' ' MET . 48.6 mt-10 -89.92 -68.39 0.78 Allowed 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 114.141 1.163 . . . . 0.0 114.141 -177.608 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -60.15 -68.33 0.3 Allowed 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 113.029 0.751 . . . . 0.0 113.029 -176.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.607 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 12.6 t80 -45.25 -45.43 11.92 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -177.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.501 ' HG3' ' N ' ' A' ' 31' ' ' MET . 0.1 OUTLIER -66.75 -43.22 84.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.941 0.4 . . . . 0.0 110.681 -179.397 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.592 ' HA ' ' HE1' ' A' ' 31' ' ' MET . 0.0 OUTLIER -63.3 -16.2 59.6 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.798 -179.635 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 48.1 mm -92.75 -45.85 14.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.568 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.546 ' HA ' HG13 ' A' ' 40' ' ' ILE . 57.5 t0 -66.09 117.09 7.92 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.554 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 63.5 m -65.7 -10.45 36.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.401 0.619 . . . . 0.0 109.352 179.181 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 37' ' ' SER . 59.0 m-20 -111.92 -10.14 13.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.394 179.752 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 11.4 p-10 40.91 26.98 0.03 OUTLIER 'General case' 0 C--O 1.231 0.129 0 CA-C-O 121.069 0.461 . . . . 0.0 110.39 -179.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.418 ' N ' ' O ' ' A' ' 35' ' ' ASP . 77.2 p -86.27 -16.68 36.83 Favored 'General case' 0 CA--C 1.513 -0.466 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 179.467 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 109.21 13.36 17.75 Favored Glycine 0 N--CA 1.45 -0.39 0 CA-C-N 114.587 -1.188 . . . . 0.0 112.463 179.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.521 ' HB ' HG22 ' A' ' 75' ' ' THR . 43.6 p -147.62 131.47 17.07 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.675 0.274 . . . . 0.0 110.336 179.632 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.546 HG13 ' HA ' ' A' ' 33' ' ' ASP . 2.0 mp -108.02 146.75 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.874 0.368 . . . . 0.0 111.13 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.486 ' O ' ' N ' ' A' ' 45' ' ' LEU . 11.7 m -132.99 159.9 38.66 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.767 178.788 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -34.99 -60.64 0.45 Allowed 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 123.465 0.706 . . . . 0.0 112.505 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -52.29 -39.52 60.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.938 0.399 . . . . 0.0 111.08 -179.351 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -88.21 -14.19 39.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.096 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.521 HD21 HG21 ' A' ' 61' ' ' ILE . 48.6 tp -71.61 -58.98 3.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.299 -179.225 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.521 ' HB3' HG23 ' A' ' 61' ' ' ILE . 21.7 ptmt -56.53 -28.05 59.06 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.307 -179.371 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.681 ' HA ' ' HB3' ' A' ' 50' ' ' LYS . 36.0 t70 -52.3 -16.91 0.95 Allowed 'General case' 0 C--N 1.332 -0.185 0 O-C-N 123.212 0.32 . . . . 0.0 111.175 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -69.75 -52.55 19.63 Favored Glycine 0 N--CA 1.45 -0.412 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.114 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.409 ' O ' HG13 ' A' ' 52' ' ' VAL . 90.1 mt -90.25 -12.34 38.22 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 178.639 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.681 ' HB3' ' HA ' ' A' ' 47' ' ' ASP . 23.4 tptm -82.9 -25.48 32.42 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.487 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.414 HH11 ' HG3' ' A' ' 51' ' ' ARG . 39.0 ttt85 -73.1 -23.71 60.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.839 179.356 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.452 HG22 ' OG ' ' A' ' 54' ' ' SER . 12.3 p -98.85 -29.22 3.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.945 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.445 ' N ' HG13 ' A' ' 52' ' ' VAL . . . 53.84 48.81 60.79 Favored Glycine 0 C--N 1.332 0.358 0 C-N-CA 121.009 -0.615 . . . . 0.0 113.154 179.153 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.452 ' OG ' HG22 ' A' ' 52' ' ' VAL . 71.2 m -97.58 -104.98 0.18 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.757 0.278 . . . . 0.0 111.032 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -120.71 74.74 1.08 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.927 0.394 . . . . 0.0 110.735 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.584 HD22 ' N ' ' A' ' 56' ' ' LEU . 0.9 OUTLIER -108.73 166.26 10.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.294 179.804 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.419 ' C ' ' H ' ' A' ' 59' ' ' SER . 84.8 mmm -126.28 110.35 13.3 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.043 179.053 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -55.09 -15.25 2.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.557 0.694 . . . . 0.0 109.451 179.14 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.419 ' H ' ' C ' ' A' ' 57' ' ' MET . 78.5 p -87.86 -39.22 15.0 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 114.66 -1.155 . . . . 0.0 110.992 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 43.4 tp10 -66.19 -32.66 74.23 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.183 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.521 HG21 HD21 ' A' ' 45' ' ' LEU . 43.3 mm -55.52 -23.74 14.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.689 179.673 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.437 ' C ' ' N ' ' A' ' 64' ' ' LEU . 12.5 mmmm -73.24 -63.17 1.24 Allowed 'General case' 0 CA--C 1.513 -0.478 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 178.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.603 ' HA ' ' HB3' ' A' ' 67' ' ' ALA . 37.4 t70 -55.93 -16.9 5.35 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 177.369 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.437 ' N ' ' C ' ' A' ' 62' ' ' LYS . 33.5 tp -87.46 -32.94 19.22 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 114.668 -1.151 . . . . 0.0 110.643 179.549 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 9.0 tmm? -88.7 -69.58 0.7 Allowed 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 -178.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -70.67 -54.8 10.5 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -178.198 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.603 ' HB3' ' HA ' ' A' ' 63' ' ' ASP . . . -50.7 -45.6 58.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.604 0.24 . . . . 0.0 111.583 -179.28 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.18 -62.22 1.67 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.871 0.367 . . . . 0.0 110.719 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.508 ' HA ' ' HB3' ' A' ' 80' ' ' GLU . 7.5 t70 -66.96 104.84 1.47 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.616 179.423 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 9.8 tp -83.52 -16.75 11.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.891 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -63.19 -5.83 3.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.352 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 41.26 26.71 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.423 -179.693 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.401 ' C ' ' H ' ' A' ' 75' ' ' THR . 79.1 p -87.73 2.09 52.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.876 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 77.17 -11.61 15.66 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.687 -0.768 . . . . 0.0 111.799 -179.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.521 HG22 ' HB ' ' A' ' 39' ' ' THR . 69.8 m -117.66 134.33 55.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.685 0.279 . . . . 0.0 110.375 179.692 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.449 HG21 ' HB ' ' A' ' 40' ' ' ILE . 15.0 tt -99.03 131.05 47.0 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 CA-C-O 121.11 0.481 . . . . 0.0 111.211 -179.769 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -117.98 157.93 25.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.028 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -52.57 -26.31 12.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.782 0.325 . . . . 0.0 111.012 -179.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -77.77 -30.97 51.03 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.936 -0.65 . . . . 0.0 112.753 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.508 ' HB3' ' HA ' ' A' ' 69' ' ' ASP . 67.1 mm-40 -56.83 -47.77 79.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.65 0.262 . . . . 0.0 110.671 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.433 ' CZ ' HD11 ' A' ' 76' ' ' ILE . 31.1 m-85 -43.4 -41.41 4.18 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.723 179.447 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 47.6 mm . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.197 -179.768 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.639 HD13 ' HA2' ' A' ' 38' ' ' GLY . 4.5 mm? . . . . . 0 N--CA 1.465 0.321 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -90.2 -69.65 0.71 Allowed 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.803 -0.359 . . . . 0.0 111.927 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.74 ' HG3' ' H ' ' A' ' 28' ' ' LEU . 7.4 pt-20 -91.64 -67.52 0.85 Allowed 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 113.356 0.873 . . . . 0.0 113.356 -179.144 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.74 ' H ' ' HG3' ' A' ' 27' ' ' GLU . 58.1 tp -46.09 -45.78 16.54 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 113.361 0.874 . . . . 0.0 113.361 -177.57 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.518 ' CZ ' ' HB2' ' A' ' 78' ' ' TYR . 2.4 m-85 -76.52 -65.6 0.91 Allowed 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -178.264 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.541 ' HA ' ' OD1' ' A' ' 36' ' ' ASN . 14.1 mmmm -43.47 -33.13 1.02 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.463 -179.193 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.418 ' SD ' HD12 ' A' ' 32' ' ' ILE . 1.6 tmt? -90.56 -35.06 15.26 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -179.385 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.55 ' HB ' ' O ' ' A' ' 28' ' ' LEU . 24.0 mm -94.92 -65.6 1.11 Allowed 'Isoleucine or valine' 0 CA--C 1.511 -0.542 0 CA-C-O 121.263 0.554 . . . . 0.0 110.788 -179.781 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.454 ' C ' ' H ' ' A' ' 35' ' ' ASP . 31.2 t70 -53.2 94.76 0.01 OUTLIER 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.048 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.432 ' O ' HG21 ' A' ' 34' ' ' THR . 65.3 m -58.76 -10.37 2.32 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.557 0.694 . . . . 0.0 109.246 179.622 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.528 ' OD1' ' HB3' ' A' ' 37' ' ' SER . 10.4 t0 -95.86 -24.9 16.23 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.882 179.733 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.541 ' OD1' ' HA ' ' A' ' 30' ' ' LYS . 51.5 m-20 49.85 20.95 0.61 Allowed 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.602 -179.645 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.528 ' HB3' ' OD1' ' A' ' 35' ' ' ASP . 79.1 p -88.53 -19.53 26.26 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 121.154 0.502 . . . . 0.0 110.314 -179.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.639 ' HA2' HD13 ' A' ' 25' ' ' LEU . . . 111.53 5.16 26.33 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.46 -0.876 . . . . 0.0 113.058 179.66 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 76.0 p -142.82 130.64 21.57 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 179.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.589 HG23 ' N ' ' A' ' 41' ' ' THR . 2.0 mp -104.97 139.79 24.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.946 0.403 . . . . 0.0 111.649 -179.516 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.614 ' HG1' ' HG2' ' A' ' 44' ' ' GLU . 67.2 p -129.08 144.02 51.06 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.958 178.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.704 ' HB2' ' HG3' ' A' ' 65' ' ' MET . 17.4 t80 -34.74 -47.88 0.36 Allowed 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -179.516 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -50.61 -48.72 57.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.9 0.381 . . . . 0.0 110.877 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.614 ' HG2' ' HG1' ' A' ' 41' ' ' THR . 9.7 pt-20 -89.43 -16.08 31.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.566 -179.739 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.489 HD11 HG21 ' A' ' 40' ' ' ILE . 44.2 tp -62.56 -45.27 93.71 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.764 0.316 . . . . 0.0 110.925 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.739 ' HA ' HG22 ' A' ' 61' ' ' ILE . 52.7 mtmt -47.27 -53.77 12.59 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.967 -179.672 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.611 ' HA ' ' HB3' ' A' ' 50' ' ' LYS . 28.9 m-20 -42.17 -23.57 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.331 0 O-C-N 123.352 0.408 . . . . 0.0 112.067 -179.306 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.2 -55.99 18.29 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.615 -0.802 . . . . 0.0 111.615 179.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -90.42 -12.4 37.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.116 0.484 . . . . 0.0 110.13 179.181 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.611 ' HB3' ' HA ' ' A' ' 47' ' ' ASP . 4.3 tmmm? -68.6 -46.3 69.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.65 -179.773 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.6 ' HG2' ' O ' ' A' ' 47' ' ' ASP . 36.3 mmt180 -41.54 -42.05 2.3 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.969 -179.602 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.468 HG23 ' N ' ' A' ' 53' ' ' GLY . 35.9 m -89.86 -31.62 5.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 111.618 0.229 . . . . 0.0 111.618 -179.731 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.468 ' N ' HG23 ' A' ' 52' ' ' VAL . . . 38.76 48.41 2.44 Favored Glycine 0 C--N 1.335 0.514 0 C-N-CA 121.201 -0.523 . . . . 0.0 113.015 179.667 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 48.0 t -65.9 -91.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.747 0.308 . . . . 0.0 111.153 -179.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.469 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 39.0 tp10 -136.96 17.84 3.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.158 0.504 . . . . 0.0 110.208 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.524 ' N ' HD12 ' A' ' 56' ' ' LEU . 5.7 mp -81.53 124.84 29.83 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.521 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 16.0 tpt -79.88 151.34 30.23 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.263 -0.88 . . . . 0.0 109.597 179.098 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.436 ' OE1' ' N ' ' A' ' 58' ' ' GLU . 0.4 OUTLIER -56.8 -10.43 1.05 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.587 -179.641 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 49.1 m -78.16 -22.77 48.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.858 0.361 . . . . 0.0 111.075 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.469 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 16.8 tp10 -78.06 -16.71 57.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.916 179.729 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.739 HG22 ' HA ' ' A' ' 46' ' ' LYS . 26.3 mm -90.59 -46.12 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.761 -179.428 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.626 ' HD3' ' N ' ' A' ' 63' ' ' ASP . 0.0 OUTLIER -77.23 -44.71 29.0 Favored 'General case' 0 C--N 1.333 -0.116 0 N-CA-C 111.711 0.263 . . . . 0.0 111.711 -178.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.626 ' N ' ' HD3' ' A' ' 62' ' ' LYS . 33.9 t70 -62.84 -28.66 70.17 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-O 121.045 0.45 . . . . 0.0 110.283 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.53 ' N ' HD21 ' A' ' 64' ' ' LEU . 4.5 mm? -87.19 -25.62 23.96 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.779 179.568 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.704 ' HG3' ' HB2' ' A' ' 42' ' ' PHE . 14.7 tmm? -67.66 -46.4 72.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.533 179.498 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -79.37 -21.24 46.03 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.184 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -82.01 -27.41 33.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.324 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -77.05 -56.25 4.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.171 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.4 ' HB2' ' HB ' ' A' ' 76' ' ' ILE . 25.1 t70 -86.31 111.54 20.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.049 0.452 . . . . 0.0 110.795 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.5 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 9.4 tp -83.64 -19.25 9.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.275 -179.554 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -62.53 -5.55 2.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.193 -179.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' A' ' 70' ' ' ILE . 33.8 mmtp 46.87 31.23 1.41 Allowed 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.568 179.302 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 77.8 p -100.74 3.12 41.97 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.176 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 78.99 -15.98 9.47 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.306 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 80.7 p -113.62 128.18 56.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.651 0.262 . . . . 0.0 110.54 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.478 ' CG2' ' HB ' ' A' ' 40' ' ' ILE . 9.7 tt -99.98 140.04 20.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.316 0 CA-C-O 120.884 0.374 . . . . 0.0 111.346 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -115.0 152.91 31.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.681 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.518 ' HB2' ' CZ ' ' A' ' 29' ' ' PHE . 31.6 t80 -54.05 -35.97 62.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.39 -179.683 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -70.31 -25.04 76.23 Favored Glycine 0 CA--C 1.519 0.296 0 C-N-CA 120.954 -0.641 . . . . 0.0 113.54 -179.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -88.45 -46.47 9.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 117.005 0.403 . . . . 0.0 111.147 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.418 ' HB2' HD12 ' A' ' 76' ' ' ILE . 28.5 t80 -46.69 -38.88 10.48 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.442 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 72.2 mt . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.238 -179.928 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 15.9 m80 . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.846 0.355 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.1 p -161.52 179.23 8.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.979 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.0 p -148.35 11.82 0.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.814 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.74 -8.57 60.62 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.579 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 12.6 m80 -125.16 -35.98 2.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.909 0.385 . . . . 0.0 110.782 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 62.2 mt -91.24 91.89 3.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.749 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -162.43 -74.34 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.795 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -100.42 148.61 24.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.693 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.544 ' O ' ' HG3' ' A' ' 13' ' ' MET . 30.7 m-20 -61.53 -18.29 58.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.99 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 63.4 t0 -59.16 -37.82 78.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.83 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -84.64 -18.7 34.58 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.602 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -80.08 -18.77 49.09 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.149 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.544 ' HG3' ' O ' ' A' ' 9' ' ' ASP . 67.1 mtt -74.53 -26.18 59.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.949 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -95.48 -2.82 47.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.376 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -126.2 26.47 6.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.082 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.506 ' NE ' ' HA ' ' A' ' 13' ' ' MET . 14.9 ptp180 -103.41 -10.83 18.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.147 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.686 ' H ' HD22 ' A' ' 17' ' ' LEU . 2.5 pt? -101.76 150.8 22.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.892 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 76.3 p -90.13 108.37 19.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -81.6 -51.97 7.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.044 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.499 ' HG3' ' OE1' ' A' ' 21' ' ' GLU . 4.7 pt-20 -89.97 -63.16 1.32 Allowed 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.755 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.499 ' OE1' ' HG3' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -176.03 -0.43 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.699 0.285 . . . . 0.0 110.851 179.397 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.445 ' C ' HD12 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -47.67 -27.2 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.95 -179.362 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -53.14 -65.93 3.06 Favored Glycine 0 C--N 1.331 0.254 0 C-N-CA 120.587 -0.816 . . . . 0.0 113.109 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -95.87 -7.41 58.74 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.526 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.626 HD12 ' HD2' ' A' ' 29' ' ' PHE . 58.3 tp -45.62 -22.52 0.17 Allowed 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -179.355 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.45 ' O ' ' HD3' ' A' ' 30' ' ' LYS . 54.8 mtmt -90.75 -65.94 0.97 Allowed 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -178.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -88.8 -68.38 0.77 Allowed 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 -177.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.428 ' O ' HG13 ' A' ' 32' ' ' ILE . 93.5 mt -66.02 -68.13 0.39 Allowed 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 113.809 1.041 . . . . 0.0 113.809 -176.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.626 ' HD2' HD12 ' A' ' 25' ' ' LEU . 3.4 t80 -37.93 -50.16 1.28 Allowed 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -177.624 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.508 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 29.1 mtpp -62.76 -45.68 91.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.927 0.394 . . . . 0.0 110.928 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 52.6 ttm -64.48 -15.21 60.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.361 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.88 HG22 HD11 ' A' ' 40' ' ' ILE . 66.1 mt -92.74 -47.79 13.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.06 0.457 . . . . 0.0 110.725 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.624 ' HA ' HG12 ' A' ' 40' ' ' ILE . 57.6 t0 -64.78 112.17 3.12 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.584 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 64.6 m -61.82 -10.53 9.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.41 0.624 . . . . 0.0 109.382 179.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.509 ' OD1' ' HB3' ' A' ' 37' ' ' SER . 10.1 t0 -96.65 -24.95 15.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.705 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 55.89 18.8 3.2 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-O 120.863 0.363 . . . . 0.0 110.238 -179.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.509 ' HB3' ' OD1' ' A' ' 35' ' ' ASP . 79.9 p -88.73 -20.35 24.91 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-O 121.153 0.501 . . . . 0.0 110.106 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 111.39 12.98 13.88 Favored Glycine 0 N--CA 1.451 -0.317 0 CA-C-N 115.437 -0.802 . . . . 0.0 112.593 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.452 ' HB ' ' CG2' ' A' ' 75' ' ' THR . 63.9 p -150.91 130.72 13.23 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 179.415 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.88 HD11 HG22 ' A' ' 32' ' ' ILE . 89.8 mt -105.62 139.99 25.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.775 0.322 . . . . 0.0 111.11 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.416 ' O ' ' N ' ' A' ' 44' ' ' GLU . 82.3 p -129.28 143.11 50.72 Favored 'General case' 0 C--O 1.221 -0.406 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.069 179.211 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.731 ' HB2' ' HG2' ' A' ' 65' ' ' MET . 21.8 t80 -35.55 -53.51 0.68 Allowed 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 123.05 0.54 . . . . 0.0 112.239 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.474 ' HA ' ' HZ1' ' A' ' 46' ' ' LYS . 35.8 t70 -47.09 -40.22 14.79 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.149 0.499 . . . . 0.0 110.414 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.498 ' OE2' ' HB2' ' A' ' 35' ' ' ASP . 41.0 mt-10 -87.13 -30.88 20.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.766 179.54 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.532 HD23 ' HB2' ' A' ' 65' ' ' MET . 56.1 tp -51.94 -57.12 10.37 Favored 'General case' 0 N--CA 1.457 -0.105 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.123 -179.428 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.476 ' HB3' HG22 ' A' ' 61' ' ' ILE . 8.4 ptpp? -51.55 -42.77 62.06 Favored 'General case' 0 C--O 1.225 -0.219 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.421 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -49.62 -16.75 0.25 Allowed 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -74.16 -57.9 4.56 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.086 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.53 ' HA ' HG21 ' A' ' 52' ' ' VAL . 3.1 mm? -87.62 -12.84 44.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.897 0.38 . . . . 0.0 110.499 179.55 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.408 ' HD3' ' OE2' ' A' ' 58' ' ' GLU . 22.9 tptm -70.36 -53.79 15.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.525 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 39.1 ttm180 -59.95 -17.73 40.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.564 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.53 HG21 ' HA ' ' A' ' 49' ' ' LEU . 62.4 t -70.04 -31.74 48.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.813 179.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 44.45 48.36 8.62 Favored Glycine 0 C--N 1.332 0.348 0 CA-C-N 116.021 -0.536 . . . . 0.0 113.194 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 37.9 t -91.28 -95.63 0.12 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.696 0.284 . . . . 0.0 110.836 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.95 23.67 1.08 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.954 0.406 . . . . 0.0 110.356 179.638 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 71.0 mt -90.9 160.05 15.9 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.772 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.466 ' HE1' ' HB2' ' A' ' 59' ' ' SER . 20.0 ptm -117.18 125.93 51.98 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.168 179.167 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.451 ' HA ' HG12 ' A' ' 61' ' ' ILE . 4.9 mm-40 -54.56 -9.6 0.33 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.62 -179.64 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.466 ' HB2' ' HE1' ' A' ' 57' ' ' MET . 53.5 m -69.8 -26.82 64.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.829 -179.66 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.454 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 51.1 mt-10 -83.86 -21.32 32.04 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.278 179.711 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.476 HG22 ' HB3' ' A' ' 46' ' ' LYS . 39.8 mm -66.98 -30.43 49.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.008 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.699 ' NZ ' ' HB2' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -85.29 -36.33 20.92 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.696 179.906 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.54 ' N ' ' HD3' ' A' ' 62' ' ' LYS . 58.8 m-20 -73.91 -23.24 59.52 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.181 0.515 . . . . 0.0 109.722 178.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.454 ' HB2' ' O ' ' A' ' 60' ' ' GLU . 4.9 tt -87.12 -39.14 15.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.615 179.475 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.731 ' HG2' ' HB2' ' A' ' 42' ' ' PHE . 14.6 tpt -63.2 -45.11 93.26 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.946 179.523 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -65.79 -42.6 90.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.13 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.78 -30.75 67.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.278 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.542 ' HB1' HD11 ' A' ' 76' ' ' ILE . . . -70.73 -62.63 1.32 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.111 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -88.96 98.48 11.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.122 0.486 . . . . 0.0 110.413 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.505 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 14.3 tt -83.94 -14.79 11.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.846 -179.631 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.505 ' OD2' ' HB3' ' A' ' 73' ' ' SER . 36.6 t70 -64.17 -5.81 5.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.6 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.505 ' HG2' ' O ' ' A' ' 70' ' ' ILE . 31.0 mmmt 44.25 29.05 0.33 Allowed 'General case' 0 C--O 1.232 0.151 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.558 179.433 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.505 ' HB3' ' OD2' ' A' ' 71' ' ' ASP . 84.5 p -85.11 -3.67 58.88 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.717 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 85.02 -11.69 59.66 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.718 -0.753 . . . . 0.0 111.675 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.452 ' CG2' ' HB ' ' A' ' 39' ' ' THR . 86.3 m -129.62 127.82 41.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.788 0.328 . . . . 0.0 110.367 179.712 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.555 HG22 ' HE2' ' A' ' 65' ' ' MET . 9.1 tt -90.3 140.25 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.734 -179.542 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.825 ' HB2' ' HG2' ' A' ' 80' ' ' GLU . 54.1 m-20 -121.87 163.27 19.51 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.002 179.111 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 19.0 t80 -61.26 -30.03 70.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.846 0.355 . . . . 0.0 110.784 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -84.25 -14.09 72.41 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 121.029 -0.605 . . . . 0.0 112.772 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.825 ' HG2' ' HB2' ' A' ' 77' ' ' ASP . 3.9 mm-40 -86.18 -31.07 21.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.91 0.386 . . . . 0.0 110.867 -179.411 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -79.56 -37.52 36.24 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.2 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 2.7 pp -68.93 -18.21 22.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.516 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.1 -20.08 1.34 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.66 -179.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.47 108.67 0.45 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.842 0.353 . . . . 0.0 111.216 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.517 HG22 HG21 ' A' ' 86' ' ' VAL . 90.6 m -124.85 151.39 45.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.587 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.517 HG21 HG22 ' A' ' 85' ' ' THR . 48.2 t 56.91 84.7 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 78.7 t60 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.285 -0.864 . . . . 0.0 110.937 -179.862 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . 0.45 ' ND1' ' H1 ' ' A' ' 1' ' ' HIS . 21.6 p-80 . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.783 0.325 . . . . 0.0 111.218 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.5 m -90.36 164.67 14.24 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.946 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.2 m -86.68 -1.74 57.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.977 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.44 -3.11 32.72 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.582 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -109.94 -60.51 1.78 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.757 0.313 . . . . 0.0 111.019 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 49.6 mm -76.11 89.27 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.914 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -136.02 -71.14 0.46 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.835 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -93.63 -104.16 0.13 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -171.8 20.22 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.748 0.309 . . . . 0.0 110.83 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -95.98 -26.45 15.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.948 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -87.35 -19.0 28.79 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.864 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 77.0 t60 -83.28 -15.69 49.24 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.761 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 63.5 mtt -58.71 -28.33 65.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.101 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.17 -21.21 64.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.011 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -85.45 -21.8 28.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.011 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -72.12 -108.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.83 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.3 pp -75.88 155.8 34.91 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-O 120.729 0.3 . . . . 0.0 110.815 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 77.9 p -78.75 85.95 4.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.156 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -80.59 -11.14 59.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.531 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -63.89 -18.23 63.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.815 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.573 ' HG3' ' H ' ' A' ' 23' ' ' GLY . 16.2 pt-20 -145.56 -173.0 4.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.862 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.501 ' O ' ' HB3' ' A' ' 26' ' ' LYS . 40.0 pt -56.93 -13.34 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.679 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.573 ' H ' ' HG3' ' A' ' 21' ' ' GLU . . . -38.56 -32.34 0.15 Allowed Glycine 0 CA--C 1.523 0.561 0 N-CA-C 114.459 0.544 . . . . 0.0 114.459 -179.191 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -95.63 -65.45 0.97 Allowed Glycine 0 CA--C 1.521 0.457 0 C-N-CA 120.322 -0.942 . . . . 0.0 114.129 -179.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.548 ' HG ' ' H ' ' A' ' 29' ' ' PHE . 26.8 tp -68.92 -6.99 30.77 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -178.357 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.624 ' HB3' ' HZ3' ' A' ' 26' ' ' LYS . 0.2 OUTLIER -38.93 -29.83 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 -178.756 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -60.46 -55.83 28.78 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.728 0.299 . . . . 0.0 111.078 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.491 ' N ' HD12 ' A' ' 28' ' ' LEU . 6.3 mp -89.58 -57.75 2.77 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -179.438 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.549 ' HA ' HG22 ' A' ' 32' ' ' ILE . 11.5 t80 -39.57 -41.18 0.98 Allowed 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -178.567 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.401 ' CG ' ' N ' ' A' ' 31' ' ' MET . 14.9 pttp -69.9 -43.15 72.32 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.148 0.499 . . . . 0.0 110.886 -179.207 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.401 ' N ' ' CG ' ' A' ' 30' ' ' LYS . 56.1 ttp -68.27 -21.13 64.82 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.644 -179.05 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.549 HG22 ' HA ' ' A' ' 29' ' ' PHE . 11.3 tp -93.26 -25.95 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.134 0.493 . . . . 0.0 110.256 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.458 ' N ' HG21 ' A' ' 32' ' ' ILE . 61.1 t0 -71.81 118.33 14.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.339 179.651 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.722 ' HB ' ' HB2' ' A' ' 44' ' ' GLU . 91.2 m -57.78 -15.18 7.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.001 0.429 . . . . 0.0 110.34 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -104.49 -22.63 13.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.049 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 46.1 t30 55.7 15.94 1.78 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.066 0.46 . . . . 0.0 109.942 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 79.3 p -83.5 -18.61 37.89 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.059 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 111.25 10.38 20.26 Favored Glycine 0 N--CA 1.453 -0.227 0 CA-C-N 115.43 -0.805 . . . . 0.0 112.588 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 67.6 p -146.65 131.96 18.52 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.569 ' HA ' ' OE2' ' A' ' 44' ' ' GLU . 29.5 mt -104.92 131.67 53.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.846 0.355 . . . . 0.0 111.584 -179.564 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.685 HG21 ' HB ' ' A' ' 75' ' ' THR . 63.0 p -111.74 161.91 15.79 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.035 179.243 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.819 ' HB2' ' HG3' ' A' ' 65' ' ' MET . 15.9 t80 -64.92 -35.56 81.54 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.302 179.452 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -58.74 -45.5 89.52 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.874 179.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.722 ' HB2' ' HB ' ' A' ' 34' ' ' THR . 23.6 pt-20 -89.69 -17.74 27.77 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.673 179.528 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.653 HD21 ' HB2' ' A' ' 65' ' ' MET . 49.2 tp -61.44 -53.55 55.0 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.393 -179.222 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.531 ' HZ1' ' HD3' ' A' ' 50' ' ' LYS . 13.5 ptmm? -48.22 -52.69 19.88 Favored 'General case' 0 C--O 1.225 -0.21 0 CA-C-N 115.724 -0.671 . . . . 0.0 112.048 -179.303 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.445 ' N ' ' HG3' ' A' ' 46' ' ' LYS . 33.1 t70 -49.82 -16.04 0.23 Allowed 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -179.511 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -74.24 -54.78 6.03 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.001 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.719 ' HB3' HD23 ' A' ' 56' ' ' LEU . 2.9 mm? -89.73 -14.46 34.62 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.964 0.411 . . . . 0.0 110.125 179.395 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.531 ' HD3' ' HZ1' ' A' ' 46' ' ' LYS . 63.9 tttp -86.32 -23.29 26.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.137 -179.767 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.423 ' HB2' ' O ' ' A' ' 47' ' ' ASP . 37.0 ttm180 -44.83 -32.52 1.6 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.387 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 35.1 m -101.23 -31.45 3.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.346 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 51.69 48.39 50.24 Favored Glycine 0 C--N 1.332 0.313 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.586 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 49.1 m -68.97 -92.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.709 0.29 . . . . 0.0 111.354 -179.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.4 ' O ' ' HG2' ' A' ' 55' ' ' GLU . 41.3 tt0 -122.96 2.09 9.33 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.955 0.407 . . . . 0.0 110.961 -179.508 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.719 HD23 ' HB3' ' A' ' 49' ' ' LEU . 3.3 pp -86.92 142.2 28.18 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-O 121.617 0.722 . . . . 0.0 111.871 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 51.4 tpp -106.53 152.24 23.94 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 114.763 -1.108 . . . . 0.0 109.795 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -53.83 -12.85 0.6 Allowed 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.199 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 79.0 p -69.45 -32.81 71.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.009 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.422 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 17.3 tp10 -67.77 -33.09 74.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.068 179.646 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.404 ' O ' HG23 ' A' ' 61' ' ' ILE . 28.2 mm -62.11 -20.72 24.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.747 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 11.7 mmmm -75.2 -62.61 1.5 Allowed 'General case' 0 CA--C 1.514 -0.428 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 179.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -59.65 -17.32 32.95 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 177.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.429 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 38.5 tp -82.8 -41.4 19.17 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.515 179.418 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.819 ' HG3' ' HB2' ' A' ' 42' ' ' PHE . 15.5 tmm? -88.49 -67.41 0.83 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.517 -179.388 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -42.29 -38.68 1.88 Allowed 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.842 -179.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.33 -41.04 34.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.468 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.429 ' HB3' ' O ' ' A' ' 64' ' ' LEU . . . -56.27 -62.09 1.95 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.909 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.554 ' HB2' ' OD1' ' A' ' 71' ' ' ASP . 8.1 p-10 -97.03 111.49 23.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.589 179.444 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.548 ' O ' ' HG3' ' A' ' 72' ' ' LYS . 8.9 tp -84.05 -21.03 8.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.012 -179.472 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.554 ' OD1' ' HB2' ' A' ' 69' ' ' ASP . 20.8 p-10 -61.42 -15.5 37.58 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.39 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.548 ' HG3' ' O ' ' A' ' 70' ' ' ILE . 38.5 mtpt 56.19 12.85 1.05 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.619 178.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 78.3 p -61.24 -17.78 55.07 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.812 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 106.23 -21.83 32.42 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.735 -0.745 . . . . 0.0 111.957 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.685 ' HB ' HG21 ' A' ' 41' ' ' THR . 4.9 t -133.13 127.77 34.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.751 0.31 . . . . 0.0 110.26 179.603 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.416 ' O ' HG22 ' A' ' 76' ' ' ILE . 12.6 tt -78.21 133.72 29.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.967 0.413 . . . . 0.0 111.588 -179.384 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 57.9 t0 -110.07 147.35 33.76 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.618 179.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.475 ' CE1' ' HB2' ' A' ' 25' ' ' LEU . 22.4 t80 -50.67 -32.97 20.76 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.641 0.258 . . . . 0.0 111.356 -179.362 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.515 ' O ' HG21 ' A' ' 82' ' ' ILE . . . -52.8 -47.0 59.64 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.75 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -88.61 -32.17 18.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.847 0.356 . . . . 0.0 111.342 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -56.91 -21.71 31.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.604 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.515 HG21 ' O ' ' A' ' 79' ' ' GLY . 9.3 tp -56.9 -24.2 19.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.495 -179.638 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -52.2 -57.02 10.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.305 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -135.83 112.14 9.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.123 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 9.7 t -117.68 157.13 27.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.983 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 47.3 t -106.63 126.28 62.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.1 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 8.4 p80 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.255 -0.878 . . . . 0.0 110.869 179.929 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 42.4 m170 . . . . . 0 N--CA 1.486 1.325 0 CA-C-O 120.836 0.351 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.7 m -99.48 100.41 11.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.1 p -83.79 -21.76 32.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.868 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.58 70.39 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.523 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 8.2 p80 -118.4 -171.02 2.0 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.751 0.31 . . . . 0.0 111.014 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 47.5 mm -55.61 97.76 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.264 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -169.49 -75.14 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.679 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -166.57 29.89 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.285 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -121.98 -68.5 0.89 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.136 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -75.01 -31.24 61.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.096 -179.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -85.65 -12.92 50.15 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.595 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -89.58 -29.46 18.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.727 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 15.7 tpt -72.14 -34.18 68.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.776 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.46 -27.64 57.46 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.661 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -96.15 -87.53 0.29 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.446 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.447 ' HG2' HH11 ' A' ' 16' ' ' ARG . 21.9 ptt-85 -162.38 138.95 7.79 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.891 179.766 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 64.4 tp -95.3 120.03 34.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.605 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.755 ' HB2' ' HA3' ' A' ' 23' ' ' GLY . 46.1 t -119.91 85.03 2.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.225 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.521 ' HG3' ' HG2' ' A' ' 20' ' ' GLU . 22.3 pt-20 -85.76 -51.65 6.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.477 179.321 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.521 ' HG2' ' HG3' ' A' ' 19' ' ' GLU . 66.6 mm-40 -90.79 -65.18 1.04 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.045 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.441 ' HB2' ' HB2' ' A' ' 78' ' ' TYR . 11.4 pt-20 -175.04 -15.94 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.322 -179.695 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.405 ' O ' HG21 ' A' ' 22' ' ' ILE . 47.2 mt -53.07 -15.34 0.71 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 CA-C-N 116.127 -0.488 . . . . 0.0 112.315 -179.337 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.755 ' HA3' ' HB2' ' A' ' 18' ' ' SER . . . -71.02 -65.43 2.47 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.408 -0.901 . . . . 0.0 113.418 -179.181 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -95.26 -5.26 60.68 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.73 -0.748 . . . . 0.0 113.276 -179.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.633 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 8.8 tt -50.77 -31.18 16.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.735 0.268 . . . . 0.0 111.238 -179.695 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.552 ' HD2' ' N ' ' A' ' 26' ' ' LYS . 0.2 OUTLIER -90.93 -44.77 9.16 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -178.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -88.46 -68.17 0.78 Allowed 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 -177.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 89.5 mt -72.75 -64.22 1.01 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 -177.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.505 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 4.0 t80 -40.32 -48.69 2.7 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.662 0.615 . . . . 0.0 112.662 -178.244 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.633 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 30.2 mtpp -65.89 -38.53 89.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.778 0.323 . . . . 0.0 111.049 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 51.5 ttm -73.96 -15.08 61.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.072 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.808 HG21 HD12 ' A' ' 40' ' ' ILE . 74.3 mt -92.01 -41.36 12.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.945 0.402 . . . . 0.0 110.7 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.525 ' HA ' HG12 ' A' ' 40' ' ' ILE . 35.5 t70 -65.58 119.83 11.82 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.015 179.53 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.42 HG23 ' O ' ' A' ' 34' ' ' THR . 63.7 m -63.66 -12.68 35.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.246 0.546 . . . . 0.0 109.922 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.416 ' C ' ' N ' ' A' ' 37' ' ' SER . 57.2 m-20 -104.71 -17.27 14.7 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.568 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 52.54 16.21 0.6 Allowed 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 -179.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.416 ' N ' ' C ' ' A' ' 35' ' ' ASP . 66.6 p -75.99 -20.96 57.42 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.666 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 109.88 9.79 23.91 Favored Glycine 0 N--CA 1.453 -0.217 0 CA-C-N 115.201 -0.909 . . . . 0.0 112.686 179.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.424 ' HB ' ' OG1' ' A' ' 75' ' ' THR . 49.6 p -153.43 131.88 12.11 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.043 -0.355 . . . . 0.0 110.043 179.699 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.808 HD12 HG21 ' A' ' 32' ' ' ILE . 96.6 mt -103.39 130.71 53.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.822 0.344 . . . . 0.0 111.106 -179.617 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.621 HG21 ' HB ' ' A' ' 75' ' ' THR . 80.7 p -111.69 146.64 37.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.045 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.709 ' HB2' ' HG3' ' A' ' 65' ' ' MET . 24.2 t80 -37.42 -42.75 0.52 Allowed 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 123.176 0.59 . . . . 0.0 112.026 179.532 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -48.22 -47.91 35.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.773 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.439 ' OE2' HG12 ' A' ' 40' ' ' ILE . 10.0 pt-20 -89.31 -28.34 19.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.962 179.78 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 41.3 tp -42.84 -54.87 3.94 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.897 0.38 . . . . 0.0 111.129 -179.101 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.497 ' HG3' ' H ' ' A' ' 47' ' ' ASP . 13.9 ptmm? -49.71 -57.77 6.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.708 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.743 ' HA ' ' HB3' ' A' ' 50' ' ' LYS . 34.7 t70 -55.66 -16.55 4.31 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 122.483 0.313 . . . . 0.0 111.778 -179.65 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -68.98 -52.14 25.36 Favored Glycine 0 N--CA 1.447 -0.596 0 N-CA-C 110.683 -0.967 . . . . 0.0 110.683 179.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.427 ' O ' HD23 ' A' ' 56' ' ' LEU . 19.5 tp -90.73 -12.85 35.37 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-O 121.041 0.448 . . . . 0.0 109.838 178.689 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.743 ' HB3' ' HA ' ' A' ' 47' ' ' ASP . 1.1 tmtp? -78.17 -27.51 48.04 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.017 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.437 HH11 ' HG3' ' A' ' 51' ' ' ARG . 32.4 tpt85 -44.67 -30.48 0.94 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.701 179.666 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 32.3 m -76.53 -31.8 20.6 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 CA-C-O 120.687 0.28 . . . . 0.0 111.495 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 61.86 48.78 81.61 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.844 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 48.5 t -88.43 -97.92 0.09 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.698 0.285 . . . . 0.0 110.939 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -141.0 41.83 1.81 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.96 0.41 . . . . 0.0 110.468 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.652 HD11 ' H ' ' A' ' 56' ' ' LEU . 6.8 mp -69.54 157.7 36.66 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-O 121.365 0.602 . . . . 0.0 111.636 -179.582 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.472 ' HG3' ' H ' ' A' ' 60' ' ' GLU . 19.5 ptp -126.39 124.52 40.37 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.069 -0.969 . . . . 0.0 109.843 178.78 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 -53.73 -9.64 0.23 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.219 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.466 ' H ' ' C ' ' A' ' 57' ' ' MET . 58.4 m -84.11 -40.01 18.79 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.81 -179.287 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.472 ' H ' ' HG3' ' A' ' 57' ' ' MET . 5.3 tp10 -78.57 -19.53 52.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.738 0.304 . . . . 0.0 110.351 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.675 ' HA ' HD22 ' A' ' 64' ' ' LEU . 33.4 mt -69.02 -40.36 80.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.507 ' HD3' ' N ' ' A' ' 63' ' ' ASP . 0.0 OUTLIER -81.4 -32.0 32.99 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.991 0.424 . . . . 0.0 110.336 179.614 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.507 ' N ' ' HD3' ' A' ' 62' ' ' LYS . 8.5 t70 -73.93 -29.77 62.2 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.151 179.619 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.675 HD22 ' HA ' ' A' ' 61' ' ' ILE . 1.5 pp -80.92 -36.19 31.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.689 179.616 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.709 ' HG3' ' HB2' ' A' ' 42' ' ' PHE . 0.9 OUTLIER -61.41 -49.16 77.98 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.598 179.58 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -71.44 -31.86 67.69 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.055 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.07 -21.26 58.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.681 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.561 ' HB3' ' HA ' ' A' ' 81' ' ' PHE . . . -112.41 -59.89 1.94 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.358 -179.731 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.583 ' HB2' ' HB ' ' A' ' 76' ' ' ILE . 6.2 t70 -54.38 98.64 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.157 0.503 . . . . 0.0 111.321 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 14.4 tt -84.79 -25.17 7.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.978 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.404 ' O ' ' HD2' ' A' ' 72' ' ' LYS . 35.6 t70 -69.16 -7.66 38.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.368 -179.648 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.404 ' HD2' ' O ' ' A' ' 71' ' ' ASP . 1.0 OUTLIER 34.49 33.37 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.524 -0.762 . . . . 0.0 112.146 179.779 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 84.7 p -90.51 -6.64 54.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.974 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 106.84 -20.75 33.31 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.639 -0.791 . . . . 0.0 111.578 -179.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.621 ' HB ' HG21 ' A' ' 41' ' ' THR . 6.4 t -115.37 175.23 5.61 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 179.285 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.583 ' HB ' ' HB2' ' A' ' 69' ' ' ASP . 11.9 tt -156.17 143.5 11.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 120.992 0.425 . . . . 0.0 111.353 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -125.21 170.22 11.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.581 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.441 ' HB2' ' HB2' ' A' ' 21' ' ' GLU . 3.5 m-30 -51.43 -35.27 38.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.28 179.626 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.54 -32.99 74.79 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.59 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.467 ' HB2' HG13 ' A' ' 76' ' ' ILE . 46.7 mt-10 -88.32 -59.23 2.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.73 0.3 . . . . 0.0 110.857 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.561 ' HA ' ' HB3' ' A' ' 68' ' ' ALA . 30.0 t80 -43.4 -43.61 5.29 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.73 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 50.4 mm -79.17 -31.15 14.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.392 -179.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.96 -51.06 67.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.413 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.84 -80.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.451 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 74.6 p -83.17 138.8 33.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.997 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 39.5 t 54.61 82.77 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.007 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.166 -0.921 . . . . 0.0 111.065 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 23.6 t-80 . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.761 0.315 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.2 p -156.31 163.04 40.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.971 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.9 t -113.64 17.81 17.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.669 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.27 12.11 9.73 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.526 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 73.9 t60 -161.75 -69.05 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.788 0.328 . . . . 0.0 110.724 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 65.7 mt -77.17 83.96 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.851 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -167.31 -72.78 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.792 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 55.9 p-10 -169.53 31.76 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.932 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -101.55 -78.68 0.52 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.956 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -87.3 -18.12 30.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.799 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -85.44 -26.83 26.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.739 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.428 ' HE1' ' HD3' ' A' ' 16' ' ' ARG . 33.0 t-80 -78.58 -34.79 46.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.466 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.406 ' HB2' ' HE2' ' A' ' 13' ' ' MET . 48.8 ttm -65.86 -29.15 69.55 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.697 179.737 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.64 -45.29 87.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.07 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -69.54 -23.12 63.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.428 ' HD3' ' HE1' ' A' ' 12' ' ' HIS . 27.0 mmm180 -77.57 -27.77 51.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.713 179.551 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 67.1 tp -80.63 101.74 9.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.803 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 55.4 m -82.36 97.5 8.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.777 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -85.11 -17.65 36.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.038 -179.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -74.99 -14.31 60.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.463 -179.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -52.1 -46.53 65.31 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.778 0.323 . . . . 0.0 111.47 -179.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.595 HG12 ' HD2' ' A' ' 78' ' ' TYR . 14.5 tt -61.17 -12.77 6.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.105 -179.775 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.498 ' O ' ' HG ' ' A' ' 25' ' ' LEU . . . -50.92 -4.54 0.07 OUTLIER Glycine 0 CA--C 1.523 0.548 0 CA-C-N 115.686 -0.688 . . . . 0.0 114.285 -179.723 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.454 ' H ' ' C ' ' A' ' 22' ' ' ILE . . . -56.06 -3.89 0.63 Allowed Glycine 0 CA--C 1.523 0.543 0 C-N-CA 121.14 -0.552 . . . . 0.0 112.826 179.534 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.574 ' HB2' ' CB ' ' A' ' 29' ' ' PHE . 3.5 pp -38.33 -25.7 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 -179.582 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.469 ' HA ' ' HE2' ' A' ' 30' ' ' LYS . 55.9 mtpt -49.42 -16.41 0.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 -179.311 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -83.61 -68.32 0.72 Allowed 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -178.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -90.44 -48.91 6.82 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 -178.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.574 ' CB ' ' HB2' ' A' ' 25' ' ' LEU . 6.5 t80 -43.68 -53.1 6.03 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -177.793 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.678 ' HG2' ' HA2' ' A' ' 38' ' ' GLY . 48.4 mtmt -68.39 -21.05 64.72 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 121.056 -0.258 . . . . 0.0 111.673 -179.106 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 17.6 ttt -81.33 -26.7 35.39 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 120.744 0.307 . . . . 0.0 111.251 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.482 HG21 ' N ' ' A' ' 33' ' ' ASP . 9.4 tp -93.1 -28.51 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.239 0.543 . . . . 0.0 110.379 179.675 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.482 ' N ' HG21 ' A' ' 32' ' ' ILE . 61.2 t0 -59.17 119.6 7.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.568 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 87.4 m -59.67 -12.81 7.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.214 0.53 . . . . 0.0 110.109 179.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.481 ' HB2' ' OE2' ' A' ' 44' ' ' GLU . 54.2 t0 -105.38 -22.57 13.01 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.012 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 49.2 t30 56.04 13.2 1.09 Allowed 'General case' 0 C--N 1.334 -0.107 0 CA-C-O 121.104 0.478 . . . . 0.0 109.978 -179.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 81.0 p -78.08 -19.46 54.16 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.835 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.678 ' HA2' ' HG2' ' A' ' 30' ' ' LYS . . . 111.11 3.78 27.75 Favored Glycine 0 N--CA 1.454 -0.158 0 CA-C-N 115.365 -0.834 . . . . 0.0 112.533 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 75.1 p -144.71 132.81 21.54 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.448 ' O ' HG21 ' A' ' 76' ' ' ILE . 76.8 mt -104.73 128.36 58.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.389 -179.733 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.648 ' HA ' ' HE2' ' A' ' 65' ' ' MET . 1.6 t -104.82 165.58 10.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.861 179.317 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.475 ' HB2' ' HG2' ' A' ' 65' ' ' MET . 15.2 t80 -38.36 -58.22 1.03 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.49 -0.777 . . . . 0.0 112.422 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -52.85 -37.65 60.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.038 0.447 . . . . 0.0 110.571 -179.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.481 ' OE2' ' HB2' ' A' ' 35' ' ' ASP . 91.4 mt-10 -89.15 -13.7 37.81 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.882 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.58 HD23 ' HB2' ' A' ' 65' ' ' MET . 63.3 tp -69.59 -53.27 19.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.739 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.56 ' HB3' ' NZ ' ' A' ' 46' ' ' LYS . 0.3 OUTLIER -57.37 -20.7 31.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.47 -179.689 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.653 ' HA ' ' NZ ' ' A' ' 50' ' ' LYS . 10.0 t70 -65.44 -16.94 64.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.231 0.539 . . . . 0.0 110.372 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -91.81 -42.81 4.65 Favored Glycine 0 N--CA 1.448 -0.541 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.633 HD11 HG12 ' A' ' 61' ' ' ILE . 92.9 mt -73.72 -20.36 60.55 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 178.716 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.653 ' NZ ' ' HA ' ' A' ' 47' ' ' ASP . 6.1 ttpm? -86.54 -41.29 14.46 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.242 179.351 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.522 ' HD3' ' C ' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -60.33 -37.89 82.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.016 -179.845 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.401 HG22 ' N ' ' A' ' 53' ' ' GLY . 33.2 m -65.73 -25.15 35.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.551 -179.503 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.401 ' N ' HG22 ' A' ' 52' ' ' VAL . . . 94.33 49.23 2.44 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.352 -0.927 . . . . 0.0 113.135 179.643 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.725 ' HB2' ' HG ' ' A' ' 56' ' ' LEU . 94.8 p -117.36 118.37 32.05 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 179.209 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.459 ' HA ' ' OE1' ' A' ' 55' ' ' GLU . 4.4 mm-40 -84.63 33.12 0.51 Allowed 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.952 -179.655 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.725 ' HG ' ' HB2' ' A' ' 54' ' ' SER . 38.5 mt -60.45 179.21 0.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.73 -1.123 . . . . 0.0 110.995 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.481 ' HG2' ' H ' ' A' ' 60' ' ' GLU . 1.2 pmm? -82.87 127.36 33.43 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.049 178.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.493 ' HA ' HD12 ' A' ' 61' ' ' ILE . 1.9 pp20? -56.9 -10.18 1.01 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.316 0.579 . . . . 0.0 110.587 179.573 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.448 ' H ' ' C ' ' A' ' 57' ' ' MET . 49.5 m -74.07 -41.25 62.01 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.449 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.517 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 42.9 tp10 -62.38 -15.78 50.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.942 179.151 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.633 HG12 HD11 ' A' ' 49' ' ' LEU . 19.1 mt -89.56 -33.22 5.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.704 -179.388 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.693 ' HD2' ' N ' ' A' ' 63' ' ' ASP . 0.0 OUTLIER -85.83 -33.48 21.32 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 -178.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.693 ' N ' ' HD2' ' A' ' 62' ' ' LYS . 57.1 p30 -82.71 -17.79 43.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.992 0.425 . . . . 0.0 110.461 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.517 ' HB2' ' O ' ' A' ' 60' ' ' GLU . 25.4 tp -86.97 -32.89 19.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.326 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.648 ' HE2' ' HA ' ' A' ' 41' ' ' THR . 12.9 tpt -73.4 -34.09 65.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.217 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -74.69 -32.76 62.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.148 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -84.66 -14.59 48.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.422 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.6 ' HB1' HD11 ' A' ' 76' ' ' ILE . . . -98.8 -20.12 17.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.405 -179.725 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -117.94 89.65 3.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.141 0.496 . . . . 0.0 110.674 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.545 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 2.6 mp -83.76 -21.39 8.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.648 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -58.45 -18.25 27.12 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.819 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.545 ' HG2' ' O ' ' A' ' 70' ' ' ILE . 75.6 mmtt 62.92 12.55 5.9 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 179.6 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 51.0 m -74.46 -3.43 30.66 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.142 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 85.47 -26.18 5.91 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.738 -0.744 . . . . 0.0 111.896 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.554 HG21 ' HB ' ' A' ' 41' ' ' THR . 80.5 p -117.76 141.48 48.35 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 179.379 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.625 ' HA ' ' OE2' ' A' ' 80' ' ' GLU . 10.5 tt -97.59 141.13 16.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.042 0.449 . . . . 0.0 111.586 -179.528 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -134.94 154.86 51.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.634 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.595 ' HD2' HG12 ' A' ' 22' ' ' ILE . 3.4 m-85 -42.27 -40.4 2.42 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.14 -0.482 . . . . 0.0 112.239 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -50.82 -46.87 48.43 Favored Glycine 0 CA--C 1.518 0.274 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.981 -179.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.625 ' OE2' ' HA ' ' A' ' 76' ' ' ILE . 9.4 pt-20 -88.55 -54.01 4.37 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.639 0.257 . . . . 0.0 111.279 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.421 ' HB2' ' CD1' ' A' ' 76' ' ' ILE . 27.5 t80 -42.34 -37.35 1.52 Allowed 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 116.133 -0.485 . . . . 0.0 112.084 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.516 HG22 ' N ' ' A' ' 83' ' ' ALA . 0.1 OUTLIER -50.83 -42.41 23.1 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.924 -179.289 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.516 ' N ' HG22 ' A' ' 82' ' ' ILE . . . -51.73 -37.57 51.6 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.198 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.45 111.69 11.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 87.8 m -81.92 109.93 16.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.035 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.422 HG12 ' N ' ' A' ' 87' ' ' HIS . 92.5 t -77.02 137.2 22.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 179.714 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.422 ' N ' HG12 ' A' ' 86' ' ' VAL . 82.3 m-70 . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.877 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 17.2 t-160 . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.795 0.331 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.1 t -101.28 166.9 10.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.774 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.5 m -72.63 -36.88 68.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.43 141.99 13.23 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.575 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -129.72 -42.6 1.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.775 0.322 . . . . 0.0 110.92 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.47 ' H ' HG21 ' A' ' 6' ' ' ILE . 3.5 tt -96.94 100.58 10.99 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.062 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -149.53 -101.78 0.07 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.637 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.658 ' HA ' ' HB2' ' A' ' 12' ' ' HIS . 2.0 m-20 -143.97 54.03 1.3 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.839 0.352 . . . . 0.0 110.649 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -131.56 -87.54 0.47 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.237 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -97.38 -25.79 15.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.924 0.392 . . . . 0.0 110.87 -179.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.63 ' HB3' ' HZ1' ' A' ' 11' ' ' LYS . 3.4 mmmp? -86.63 -9.84 55.15 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.599 179.722 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.658 ' HB2' ' HA ' ' A' ' 8' ' ' ASP . 72.2 t60 -73.72 -16.21 61.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.225 0.536 . . . . 0.0 109.722 179.485 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.662 ' HG3' ' HD2' ' A' ' 16' ' ' ARG . 27.6 ttt -75.83 -2.84 31.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.215 179.611 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.6 -27.12 19.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.313 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.581 ' HG3' ' O ' ' A' ' 12' ' ' HIS . 1.2 pp20? -83.74 -26.5 29.65 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.876 0.37 . . . . 0.0 110.862 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.662 ' HD2' ' HG3' ' A' ' 13' ' ' MET . 15.3 ptp180 -67.46 -154.57 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.583 179.66 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.675 ' H ' HD21 ' A' ' 17' ' ' LEU . 2.7 mm? -60.79 116.51 4.48 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.795 0.331 . . . . 0.0 110.644 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 77.9 p -110.23 84.8 1.99 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.625 179.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -82.0 -9.8 59.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.841 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -78.37 -14.25 59.48 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.638 -179.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -49.52 -15.63 0.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.44 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.51 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 39.1 pt -57.24 -13.17 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.15 179.298 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.58 -21.38 54.51 Favored Glycine 0 CA--C 1.519 0.341 0 C-N-CA 121.034 -0.603 . . . . 0.0 113.274 -179.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -94.11 -4.5 62.95 Favored Glycine 0 CA--C 1.517 0.189 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.809 -179.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.708 HD11 ' HB2' ' A' ' 78' ' ' TYR . 46.5 mt -59.63 -21.7 60.81 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -179.327 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.482 ' O ' ' HD3' ' A' ' 30' ' ' LYS . 14.5 mmmm -57.78 -19.15 26.09 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.263 -179.643 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.467 ' CG ' HD11 ' A' ' 28' ' ' LEU . 87.5 tt0 -89.35 -67.91 0.81 Allowed 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 112.597 0.592 . . . . 0.0 112.597 -179.227 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.467 HD11 ' CG ' ' A' ' 27' ' ' GLU . 4.2 mp -89.92 -67.55 0.84 Allowed 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -178.164 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.638 ' HB3' ' HB3' ' A' ' 25' ' ' LEU . 10.3 t80 -34.94 -43.08 0.18 Allowed 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 -177.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.482 ' HD3' ' O ' ' A' ' 26' ' ' LYS . 13.0 pttm -64.74 -42.17 95.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.963 0.411 . . . . 0.0 111.116 -178.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 50.2 ttm -64.22 -27.03 68.78 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.442 -179.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.427 ' HA ' HD12 ' A' ' 32' ' ' ILE . 10.6 tp -92.56 -21.33 6.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.016 0.436 . . . . 0.0 110.701 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.448 ' OD2' ' HB3' ' A' ' 35' ' ' ASP . 31.0 t70 -85.67 125.08 32.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.46 179.549 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 72.6 m -59.94 -13.79 12.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.976 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.448 ' HB3' ' OD2' ' A' ' 33' ' ' ASP . 28.5 t70 -103.56 -16.41 15.54 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.259 -179.704 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.2 m120 50.87 18.91 0.56 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.257 179.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 81.0 p -83.69 -17.85 39.98 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-O 121.35 0.595 . . . . 0.0 109.493 179.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 107.2 4.81 35.34 Favored Glycine 0 N--CA 1.451 -0.336 0 CA-C-N 114.971 -1.013 . . . . 0.0 112.045 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 81.6 p -134.89 132.01 38.01 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 48.5 mt -104.58 138.47 29.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.832 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 60.4 p -120.24 151.43 39.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.379 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.798 ' HB2' ' HG2' ' A' ' 65' ' ' MET . 19.1 t80 -44.25 -43.6 7.38 Favored 'General case' 0 N--CA 1.454 -0.271 0 O-C-N 123.335 0.397 . . . . 0.0 110.891 179.496 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -54.21 -42.13 69.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.949 179.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.482 ' O ' ' HB2' ' A' ' 47' ' ' ASP . 36.6 mt-10 -89.42 -16.19 31.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.094 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.51 ' CD2' ' HB2' ' A' ' 65' ' ' MET . 21.1 tp -58.6 -64.14 1.03 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.057 0.456 . . . . 0.0 110.591 -179.28 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 61.6 pttt -49.31 -32.9 11.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.746 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.778 ' HA ' ' HZ1' ' A' ' 50' ' ' LYS . 1.1 m-20 -48.11 -16.71 0.1 Allowed 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -179.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -64.89 -61.81 5.52 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.584 -0.817 . . . . 0.0 111.365 179.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.432 ' HB3' HD11 ' A' ' 56' ' ' LEU . 6.2 mp -90.25 -14.03 34.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.862 0.363 . . . . 0.0 110.208 179.03 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.778 ' HZ1' ' HA ' ' A' ' 47' ' ' ASP . 0.0 OUTLIER -74.25 -32.52 63.0 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.54 -179.855 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.4 HH11 ' HG2' ' A' ' 51' ' ' ARG . 55.1 ttp85 -47.8 -36.76 12.28 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.563 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 35.0 m -89.64 -28.51 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.394 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 60.79 48.81 84.37 Favored Glycine 0 C--N 1.332 0.336 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.76 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 46.8 t -86.4 -95.47 0.08 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.628 0.251 . . . . 0.0 110.957 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -147.56 69.58 1.15 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.982 0.42 . . . . 0.0 110.374 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.514 ' H ' HD22 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -91.97 179.53 5.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.509 -179.641 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.476 ' O ' HG13 ' A' ' 61' ' ' ILE . 3.1 mpp? -114.02 98.73 7.16 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.76 178.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -60.93 -17.54 51.78 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 179.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.434 ' O ' ' HG3' ' A' ' 62' ' ' LYS . 78.8 p -87.79 -17.66 31.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 114.948 -1.024 . . . . 0.0 111.111 179.582 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.428 ' HG3' ' HG ' ' A' ' 64' ' ' LEU . 17.0 tp10 -90.4 -39.85 12.42 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.008 0.432 . . . . 0.0 109.948 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.484 HG21 HD23 ' A' ' 45' ' ' LEU . 31.6 mt -59.39 -26.09 33.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.561 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.6 ' HD3' ' N ' ' A' ' 63' ' ' ASP . 0.0 OUTLIER -73.53 -43.31 60.27 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.663 0.268 . . . . 0.0 110.726 -179.91 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.6 ' N ' ' HD3' ' A' ' 62' ' ' LYS . 2.9 p30 -80.11 -23.75 41.0 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 179.426 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.428 ' HG ' ' HG3' ' A' ' 60' ' ' GLU . 24.8 mt -72.64 -26.23 61.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.911 178.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.798 ' HG2' ' HB2' ' A' ' 42' ' ' PHE . 12.9 tpt -83.93 -39.65 19.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.468 179.388 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -74.65 -22.79 58.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.016 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.49 -56.86 12.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.208 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.731 ' HB2' HD11 ' A' ' 76' ' ' ILE . . . -72.6 -50.94 21.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -81.91 100.5 9.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.0 0.428 . . . . 0.0 110.776 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.53 ' O ' ' HG3' ' A' ' 72' ' ' LYS . 14.3 tt -84.21 -22.78 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.511 179.749 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.431 ' C ' ' H ' ' A' ' 73' ' ' SER . 59.7 t0 -56.14 -24.57 41.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.608 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.53 ' HG3' ' O ' ' A' ' 70' ' ' ILE . 40.6 mttm 63.56 5.26 2.08 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-O 121.242 0.544 . . . . 0.0 110.157 -179.619 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.431 ' H ' ' C ' ' A' ' 71' ' ' ASP . 80.5 p -70.45 0.76 6.03 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.384 -0.826 . . . . 0.0 111.188 -179.638 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.47 -10.1 38.59 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.135 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 71.7 p -119.89 127.46 52.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.812 0.339 . . . . 0.0 110.622 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.731 HD11 ' HB2' ' A' ' 68' ' ' ALA . 10.7 tt -96.38 134.9 32.29 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.093 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -117.9 162.95 17.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.669 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.708 ' HB2' HD11 ' A' ' 25' ' ' LEU . 30.2 t80 -62.15 -31.25 71.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.913 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.94 -44.39 97.48 Favored Glycine 0 CA--C 1.519 0.334 0 CA-C-N 115.825 -0.625 . . . . 0.0 113.706 -178.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.56 ' OE2' ' HA ' ' A' ' 76' ' ' ILE . 22.0 pt-20 -86.95 -43.3 12.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.882 0.341 . . . . 0.0 111.426 -179.263 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -44.88 -45.51 10.33 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.364 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 10.2 tp -77.63 -30.02 16.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.393 -179.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.6 -20.63 61.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.356 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.06 121.58 15.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.08 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 68.8 p -70.03 156.41 39.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.87 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 35.1 m -87.69 -5.59 10.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.154 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.206 -0.902 . . . . 0.0 110.87 179.961 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 18.6 t-160 . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.821 0.343 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 76.5 p -79.36 67.78 5.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.9 m -135.05 24.87 3.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.85 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.45 -23.89 8.16 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.418 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.577 ' HB3' ' HZ1' ' A' ' 11' ' ' LYS . 93.3 m-70 -135.38 -18.29 1.73 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.753 0.311 . . . . 0.0 111.069 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 42.3 mm -103.13 75.08 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.977 0.418 . . . . 0.0 110.891 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -137.19 -87.41 0.29 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.832 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.676 ' HA ' ' HB2' ' A' ' 12' ' ' HIS . 10.8 p-10 -173.77 81.94 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.839 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -151.74 -80.73 0.1 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -88.03 -33.78 18.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.319 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.577 ' HZ1' ' HB3' ' A' ' 5' ' ' HIS . 62.5 mttp -89.18 -9.83 49.41 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.875 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.676 ' HB2' ' HA ' ' A' ' 8' ' ' ASP . 78.3 t60 -75.66 -28.37 58.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.63 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 26.5 mmt -65.72 -21.4 66.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.659 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -96.2 -17.71 20.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.974 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.515 ' HG2' ' O ' ' A' ' 11' ' ' LYS . 4.9 mm-40 -89.02 -21.88 23.26 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.951 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -81.23 -175.59 5.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.804 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -78.64 173.5 12.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.414 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.567 ' O ' HG12 ' A' ' 22' ' ' ILE . 50.5 m -118.8 86.15 2.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.948 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -84.88 -7.78 59.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.092 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 -71.16 -60.86 2.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.171 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.562 ' OE1' ' HB3' ' A' ' 18' ' ' SER . 8.8 mp0 -61.68 -70.2 0.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.611 -179.495 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.567 HG12 ' O ' ' A' ' 18' ' ' SER . 29.8 pt -59.32 -12.87 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -178.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -81.15 -67.04 1.57 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 119.813 -1.184 . . . . 0.0 114.112 -178.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -97.37 -65.64 0.9 Allowed Glycine 0 CA--C 1.52 0.404 0 C-N-CA 120.527 -0.844 . . . . 0.0 114.788 -178.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.716 ' HG ' ' H ' ' A' ' 29' ' ' PHE . 14.0 tp -67.6 -7.97 30.64 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -177.538 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.505 ' HB2' ' HA ' ' A' ' 22' ' ' ILE . 62.2 tttm -40.61 -22.68 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -179.341 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 25' ' ' LEU . 17.6 tp10 -83.72 -47.01 11.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.873 0.368 . . . . 0.0 111.443 -179.682 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.419 ' HB3' ' CD1' ' A' ' 25' ' ' LEU . 64.0 tp -88.48 -52.28 5.26 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.945 -0.57 . . . . 0.0 112.067 -178.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.716 ' H ' ' HG ' ' A' ' 25' ' ' LEU . 6.0 t80 -41.94 -43.22 3.03 Favored 'General case' 0 N--CA 1.463 0.188 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -178.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.7 pttp -70.58 -40.12 73.46 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.167 0.508 . . . . 0.0 110.691 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 56.9 ttp -74.42 -18.13 60.7 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.776 -179.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.628 HG23 ' HA ' ' A' ' 29' ' ' PHE . 10.5 tp -92.24 -25.48 5.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.124 0.488 . . . . 0.0 110.3 179.712 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.452 ' OD2' ' HB3' ' A' ' 35' ' ' ASP . 30.7 t70 -82.91 125.16 31.06 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.018 179.216 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.439 HG21 ' HB3' ' A' ' 44' ' ' GLU . 5.0 t -56.43 -31.61 64.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.394 0.616 . . . . 0.0 110.51 -179.585 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.596 ' HB2' ' OE2' ' A' ' 44' ' ' GLU . 20.5 t70 -80.87 -20.06 43.1 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.766 -179.563 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.9 m120 50.78 19.55 0.63 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.856 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.408 ' HB3' ' OD2' ' A' ' 35' ' ' ASP . 84.5 p -82.64 -16.88 46.63 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-O 121.423 0.63 . . . . 0.0 109.5 179.679 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.7 17.6 14.48 Favored Glycine 0 N--CA 1.451 -0.342 0 CA-C-N 114.972 -1.013 . . . . 0.0 112.153 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 72.1 p -150.29 132.43 15.35 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.469 HG22 ' N ' ' A' ' 41' ' ' THR . 69.5 mt -104.61 143.66 15.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.756 -0.378 . . . . 0.0 111.304 -179.66 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.469 ' N ' HG22 ' A' ' 40' ' ' ILE . 75.6 p -134.15 150.44 51.11 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.401 179.488 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.525 ' HB2' ' HG2' ' A' ' 65' ' ' MET . 15.4 t80 -34.8 -61.51 0.4 Allowed 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 123.483 0.713 . . . . 0.0 112.613 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -51.53 -37.75 50.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.981 0.42 . . . . 0.0 110.738 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.596 ' OE2' ' HB2' ' A' ' 35' ' ' ASP . 38.9 mt-10 -87.3 -17.21 32.99 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.082 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.508 HD21 ' HB2' ' A' ' 65' ' ' MET . 35.3 tp -67.23 -61.72 1.78 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.205 0.526 . . . . 0.0 110.728 -179.725 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.623 ' HB3' HG22 ' A' ' 61' ' ' ILE . 22.3 pttp -55.29 -33.04 62.91 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.12 -179.647 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.498 ' O ' ' HB2' ' A' ' 51' ' ' ARG . 7.6 t70 -45.68 -16.16 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.164 -0.471 . . . . 0.0 112.044 -179.748 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.407 ' H ' ' C ' ' A' ' 46' ' ' LYS . . . -68.72 -64.05 3.23 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.155 -1.021 . . . . 0.0 111.86 179.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -91.5 -13.51 32.04 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.739 0.304 . . . . 0.0 110.794 179.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.768 ' HE3' HD13 ' A' ' 56' ' ' LEU . 11.9 mptt -86.71 -15.19 40.26 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.68 0.622 . . . . 0.0 112.68 -178.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.498 ' HB2' ' O ' ' A' ' 47' ' ' ASP . 30.1 tpt180 -70.73 -11.84 61.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.095 0.474 . . . . 0.0 110.247 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.485 HG11 ' OG ' ' A' ' 54' ' ' SER . 7.1 p -85.12 -28.39 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.997 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 62.65 49.03 76.88 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.871 -0.681 . . . . 0.0 113.051 179.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.485 ' OG ' HG11 ' A' ' 52' ' ' VAL . 70.7 m -80.86 -107.57 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.922 0.361 . . . . 0.0 110.711 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.41 ' O ' ' HG2' ' A' ' 55' ' ' GLU . 36.4 tt0 -143.07 30.61 1.42 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.443 0.639 . . . . 0.0 109.667 179.554 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.768 HD13 ' HE3' ' A' ' 50' ' ' LYS . 0.6 OUTLIER -81.59 168.05 18.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.718 -179.775 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.473 ' HG3' ' HG2' ' A' ' 60' ' ' GLU . 19.9 ptt? -123.1 119.61 30.8 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.294 -0.867 . . . . 0.0 110.596 179.688 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.435 ' OE1' ' N ' ' A' ' 58' ' ' GLU . 0.3 OUTLIER -58.44 -9.33 1.54 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.675 179.698 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.409 ' H ' ' C ' ' A' ' 57' ' ' MET . 89.1 p -63.05 -18.9 63.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.221 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.473 ' HG2' ' HG3' ' A' ' 57' ' ' MET . 5.1 mm-40 -86.05 -42.45 13.94 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.476 179.175 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.68 HD12 ' HZ2' ' A' ' 50' ' ' LYS . 41.5 mm -52.92 -18.82 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.236 179.356 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 12.4 mmmm -73.07 -64.95 0.87 Allowed 'General case' 0 CA--C 1.514 -0.413 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 179.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -58.55 -17.22 19.86 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 177.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.57 ' O ' ' HB2' ' A' ' 68' ' ' ALA . 57.1 mt -85.64 -37.56 19.36 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 115.041 -0.981 . . . . 0.0 111.25 179.614 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.525 ' HG2' ' HB2' ' A' ' 42' ' ' PHE . 15.8 tpt -88.37 -58.16 2.66 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.741 0.305 . . . . 0.0 111.353 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -46.96 -43.59 19.33 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.877 -179.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.81 -21.19 48.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.524 -179.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.57 ' HB2' ' O ' ' A' ' 64' ' ' LEU . . . -71.52 -34.26 69.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.628 -179.627 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.592 ' HA ' ' HB3' ' A' ' 80' ' ' GLU . 7.1 t70 -114.84 128.08 56.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.006 0.431 . . . . 0.0 111.176 -179.692 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.632 HG23 ' HG3' ' A' ' 80' ' ' GLU . 0.0 OUTLIER -83.39 -27.44 7.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.828 -179.29 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.592 ' C ' ' HD3' ' A' ' 72' ' ' LYS . 63.3 m-20 -71.26 0.31 8.24 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -179.489 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.592 ' HD3' ' C ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER 34.14 36.97 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.047 0.451 . . . . 0.0 111.237 -179.768 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 53.1 p -91.9 -2.08 56.99 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.529 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 85.13 -10.33 63.72 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.652 -0.785 . . . . 0.0 111.816 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.46 ' OG1' HG23 ' A' ' 41' ' ' THR . 94.6 m -123.57 127.27 48.06 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 179.674 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.456 HG22 ' HE2' ' A' ' 65' ' ' MET . 10.6 tt -97.87 137.99 23.9 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 CA-C-O 121.203 0.525 . . . . 0.0 111.708 -179.543 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -120.36 177.7 4.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.043 179.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.546 ' H ' ' HG3' ' A' ' 21' ' ' GLU . 28.1 t80 -56.75 -32.85 66.0 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.013 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.4 -41.4 99.76 Favored Glycine 0 CA--C 1.519 0.321 0 C-N-CA 121.019 -0.61 . . . . 0.0 113.451 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.632 ' HG3' HG23 ' A' ' 70' ' ' ILE . 5.5 mp0 -84.79 -35.78 22.14 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.913 0.356 . . . . 0.0 110.987 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -52.05 -44.81 64.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.31 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.54 HG22 ' N ' ' A' ' 83' ' ' ALA . 8.0 tp -79.97 -35.7 16.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.393 -179.678 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.54 ' N ' HG22 ' A' ' 82' ' ' ILE . . . -64.12 -17.37 63.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.437 -179.692 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.81 139.99 52.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.051 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 76.1 p -88.8 152.02 22.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.996 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 13.8 p -150.29 -17.8 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.946 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 10.0 p80 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.277 -0.868 . . . . 0.0 111.069 179.995 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . 0.411 ' H1 ' ' H ' ' A' ' 2' ' ' SER . 78.7 t60 . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.89 0.376 . . . . 0.0 111.054 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.411 ' H ' ' H1 ' ' A' ' 1' ' ' HIS . 77.5 p -123.98 89.57 3.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.98 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.7 t -108.0 5.66 26.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.79 106.66 2.2 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.436 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 13.5 p-80 -170.07 152.32 4.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.089 0.471 . . . . 0.0 111.187 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.774 HG22 ' HZ1' ' A' ' 11' ' ' LYS . 0.4 OUTLIER -101.59 -175.86 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.453 179.528 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.713 ' H ' HD11 ' A' ' 6' ' ' ILE . 27.6 t70 -34.76 -44.94 0.23 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.906 0.384 . . . . 0.0 111.106 179.598 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -91.48 -104.9 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.069 179.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.484 ' O ' ' HG2' ' A' ' 13' ' ' MET . 34.3 t70 -175.62 -29.71 0.01 OUTLIER 'General case' 0 N--CA 1.461 0.094 0 CA-C-O 120.831 0.348 . . . . 0.0 111.24 179.531 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -98.22 -12.83 21.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.069 -0.514 . . . . 0.0 112.207 -178.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.774 ' HZ1' HG22 ' A' ' 6' ' ' ILE . 7.5 mtmp? -75.84 -25.09 55.92 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.986 0.422 . . . . 0.0 110.307 -179.542 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.491 ' HB2' ' HB ' ' A' ' 6' ' ' ILE . 81.1 t60 -90.32 -22.77 21.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.057 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.484 ' HG2' ' O ' ' A' ' 9' ' ' ASP . 26.5 mmt -58.57 -25.77 62.89 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.094 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.11 -27.72 69.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.639 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -134.49 35.42 3.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.777 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.449 ' HB3' ' HA ' ' A' ' 13' ' ' MET . 8.4 ptm180 -70.05 -14.76 62.83 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.406 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.07 131.49 51.19 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.409 ' O ' HG22 ' A' ' 22' ' ' ILE . 51.5 m -119.65 90.53 3.35 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.829 0.347 . . . . 0.0 111.597 -179.375 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -85.49 -8.6 58.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.733 179.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -69.58 -17.26 63.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.741 -179.244 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -119.98 -70.22 0.8 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.799 0.333 . . . . 0.0 111.755 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.472 ' HA ' HD23 ' A' ' 25' ' ' LEU . 14.5 tt -75.61 -13.21 15.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.784 -179.079 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -94.55 -4.97 61.94 Favored Glycine 0 CA--C 1.517 0.216 0 C-N-CA 120.483 -0.865 . . . . 0.0 113.221 -179.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.446 ' HA3' ' CG ' ' A' ' 78' ' ' TYR . . . -95.53 -55.04 1.37 Allowed Glycine 0 CA--C 1.518 0.244 0 C-N-CA 120.567 -0.825 . . . . 0.0 113.373 -179.507 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.715 HD22 ' H ' ' A' ' 25' ' ' LEU . 2.0 pt? -59.5 -9.68 2.71 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 -178.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.44 ' O ' ' HD3' ' A' ' 30' ' ' LYS . 40.1 ttmt -73.89 -67.5 0.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -179.075 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -89.35 -67.57 0.83 Allowed 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 -178.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -46.36 -60.74 2.15 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 113.127 0.788 . . . . 0.0 113.127 -177.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.614 ' HB2' ' HA ' ' A' ' 25' ' ' LEU . 5.5 m-85 -61.13 -62.28 1.96 Allowed 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 -178.281 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.526 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 29.3 mtpp -45.59 -26.17 0.56 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.874 0.368 . . . . 0.0 111.227 -179.374 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 51.0 ttm -89.67 -35.85 15.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.244 179.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.792 HG21 HD12 ' A' ' 40' ' ' ILE . 74.0 mt -93.97 -65.7 1.07 Allowed 'Isoleucine or valine' 0 CA--C 1.521 -0.14 0 CA-C-O 120.972 0.415 . . . . 0.0 110.93 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.412 ' N ' ' O ' ' A' ' 29' ' ' PHE . 54.5 t0 -44.84 110.45 0.23 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.989 179.763 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 52.4 m -62.06 -9.88 8.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.251 0.548 . . . . 0.0 109.743 179.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.528 ' HB2' ' OE1' ' A' ' 44' ' ' GLU . 53.5 t0 -98.89 -23.33 15.39 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.279 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.1 m120 52.84 19.38 1.29 Allowed 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 -179.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 79.8 p -81.31 -14.17 57.63 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 121.466 0.65 . . . . 0.0 109.378 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.662 ' HA2' ' HB2' ' A' ' 25' ' ' LEU . . . 104.86 10.12 33.3 Favored Glycine 0 N--CA 1.45 -0.424 0 CA-C-N 114.814 -1.084 . . . . 0.0 112.092 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 35.8 m -141.53 131.08 23.9 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.623 -0.288 . . . . 0.0 110.253 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.792 HD12 HG21 ' A' ' 32' ' ' ILE . 96.7 mt -105.27 121.46 57.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 120.909 -0.317 . . . . 0.0 111.15 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.581 HG23 ' HB ' ' A' ' 75' ' ' THR . 63.2 p -111.95 136.54 51.15 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.188 179.408 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.454 ' CE1' HG23 ' A' ' 61' ' ' ILE . 29.4 t80 -34.72 -50.1 0.45 Allowed 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 123.25 0.62 . . . . 0.0 111.906 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -48.07 -44.29 31.33 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.135 0.493 . . . . 0.0 110.259 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.528 ' OE1' ' HB2' ' A' ' 35' ' ' ASP . 29.5 mt-10 -82.44 -35.12 27.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.479 179.336 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.588 ' CD2' ' HB2' ' A' ' 65' ' ' MET . 41.4 tp -48.82 -54.86 13.45 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.035 -179.364 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.609 ' HB3' ' NZ ' ' A' ' 46' ' ' LYS . 8.1 mtpm? -50.57 -47.75 57.82 Favored 'General case' 0 C--O 1.224 -0.245 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.237 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.478 ' HA ' ' HB3' ' A' ' 50' ' ' LYS . 8.7 t70 -50.1 -17.11 0.37 Allowed 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.513 -179.707 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -69.67 -54.98 10.48 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.944 -0.646 . . . . 0.0 111.568 179.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 87.1 mt -89.69 -13.21 37.43 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 178.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.478 ' HB3' ' HA ' ' A' ' 47' ' ' ASP . 88.4 tttt -86.21 -21.76 27.29 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.805 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 30.2 tpt180 -45.1 -33.16 2.04 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.986 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.421 HG21 ' N ' ' A' ' 53' ' ' GLY . 27.0 m -105.5 -28.92 2.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.144 179.743 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.441 ' HA2' HD23 ' A' ' 56' ' ' LEU . . . 56.51 48.21 78.14 Favored Glycine 0 C--N 1.331 0.284 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.637 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 46.9 t -72.92 -83.93 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.785 0.326 . . . . 0.0 110.933 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -145.87 22.92 1.41 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.618 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.441 HD23 ' HA2' ' A' ' 53' ' ' GLY . 1.8 pt? -55.92 164.19 1.26 Allowed 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 121.396 0.617 . . . . 0.0 111.681 -179.621 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.469 ' C ' ' H ' ' A' ' 59' ' ' SER . 21.4 ptp -126.11 122.65 36.35 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.861 178.752 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -53.33 -9.16 0.15 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.428 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.469 ' H ' ' C ' ' A' ' 57' ' ' MET . 48.2 t -76.24 -41.22 49.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.386 -179.279 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.617 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 69.6 mm-40 -73.5 -16.3 61.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.867 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.598 HG21 ' HA ' ' A' ' 46' ' ' LYS . 16.5 mt -86.37 -47.09 16.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.021 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.655 ' HD3' ' N ' ' A' ' 63' ' ' ASP . 0.0 OUTLIER -73.42 -30.6 63.33 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.87 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.655 ' N ' ' HD3' ' A' ' 62' ' ' LYS . 60.0 t0 -79.37 -19.14 50.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.342 0.591 . . . . 0.0 109.527 179.243 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.617 ' HB2' ' O ' ' A' ' 60' ' ' GLU . 36.6 tp -86.22 -30.11 22.64 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.208 179.653 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.588 ' HB2' ' CD2' ' A' ' 45' ' ' LEU . 10.2 tmm? -89.01 -64.99 1.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.22 -179.623 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.517 ' HA ' ' OD1' ' A' ' 69' ' ' ASP . 63.6 t0 -54.7 -62.01 1.93 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.167 -178.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.43 -7.31 1.32 Allowed 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -178.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -106.01 -20.89 13.29 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.815 0.302 . . . . 0.0 111.815 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.633 ' HB3' ' HB ' ' A' ' 76' ' ' ILE . 1.4 p-10 -110.33 131.07 55.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.986 0.422 . . . . 0.0 110.154 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.519 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 9.1 tp -84.58 -29.01 6.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.966 -178.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.424 ' N ' HG23 ' A' ' 70' ' ' ILE . 66.3 m-20 -56.48 -24.97 49.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.955 -179.748 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.616 ' NZ ' ' HB3' ' A' ' 72' ' ' LYS . 2.7 mmmp? 57.62 15.16 2.7 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-O 121.324 0.583 . . . . 0.0 109.652 -179.266 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 78.6 p -78.34 -5.61 52.69 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.095 -0.957 . . . . 0.0 111.569 -179.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 98.45 -14.29 62.24 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.097 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.581 ' HB ' HG23 ' A' ' 41' ' ' THR . 9.8 t -117.46 177.7 4.65 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 179.473 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.633 ' HB ' ' HB3' ' A' ' 69' ' ' ASP . 12.1 tt -157.79 145.08 9.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 CA-C-O 121.217 0.532 . . . . 0.0 112.299 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.561 ' OD1' ' HB2' ' A' ' 80' ' ' GLU . 6.6 p-10 -120.33 169.27 10.44 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.314 178.707 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.446 ' CG ' ' HA3' ' A' ' 24' ' ' GLY . 7.1 t80 -64.88 -40.63 95.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.903 0.383 . . . . 0.0 111.358 -178.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -74.43 -13.77 81.43 Favored Glycine 0 N--CA 1.453 -0.23 0 CA-C-N 115.915 -0.584 . . . . 0.0 113.054 -179.245 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.561 ' HB2' ' OD1' ' A' ' 77' ' ' ASP . 88.4 tt0 -79.45 -55.02 5.36 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.97 0.414 . . . . 0.0 110.793 -179.513 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -50.93 -36.08 36.66 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.231 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 8.1 tp -87.86 -22.97 6.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.361 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.28 -27.2 21.51 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.49 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -74.56 89.82 2.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.075 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 7.3 t -161.86 155.55 21.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.949 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.47 HG22 ' N ' ' A' ' 87' ' ' HIS . 12.1 p -171.16 148.78 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.986 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.47 ' N ' HG22 ' A' ' 86' ' ' VAL . 39.4 m170 . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.215 -0.898 . . . . 0.0 110.805 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ' CA' . . . . . 0.418 'CA ' ' HB2' ' A' ' 71' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 79.6 t60 . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.822 0.344 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.4 p -64.56 159.65 21.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.923 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.4 t -92.93 0.64 57.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.022 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.12 -6.11 75.78 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.394 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 71.3 t60 -135.55 38.13 2.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.264 0.554 . . . . 0.0 110.24 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.417 HD11 HG22 ' A' ' 6' ' ' ILE . 48.8 mm -91.66 110.13 22.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.692 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.726 ' HA ' ' HB2' ' A' ' 11' ' ' LYS . 2.6 p30 -80.23 37.42 0.38 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.416 -179.639 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -132.76 23.84 4.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.977 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -160.18 -89.08 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.368 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -85.35 -25.02 27.36 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.839 0.352 . . . . 0.0 111.438 -179.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.726 ' HB2' ' HA ' ' A' ' 7' ' ' ASP . 3.3 mmmp? -88.31 -9.93 51.18 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.719 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.545 ' O ' ' HG2' ' A' ' 16' ' ' ARG . 18.7 t-160 -81.56 -39.78 24.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.646 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.458 ' HA ' ' CG ' ' A' ' 16' ' ' ARG . 64.9 mtt -61.25 -10.87 7.61 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.461 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.58 -40.79 96.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.437 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.8 pm0 -110.91 4.63 19.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.831 -179.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.545 ' HG2' ' O ' ' A' ' 12' ' ' HIS . 20.9 mmm180 -62.08 -36.35 81.42 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.626 0.25 . . . . 0.0 111.122 179.65 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.629 HD13 ' N ' ' A' ' 17' ' ' LEU . 6.8 mp -62.74 137.79 58.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.846 0.355 . . . . 0.0 110.716 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.466 ' O ' HG12 ' A' ' 22' ' ' ILE . 76.5 p -134.19 107.76 7.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.02 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.424 ' HA ' ' HB ' ' A' ' 22' ' ' ILE . 0.5 OUTLIER -61.48 -7.31 3.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.089 179.787 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.554 ' HB2' ' HA3' ' A' ' 79' ' ' GLY . 39.3 tt0 -40.61 -44.49 2.13 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.701 -179.562 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.806 ' HB3' HD22 ' A' ' 25' ' ' LEU . 3.4 mp0 -131.45 30.79 4.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.738 0.304 . . . . 0.0 111.146 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.466 HG12 ' O ' ' A' ' 18' ' ' SER . 46.0 mm -95.97 -59.48 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -179.541 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -95.79 -65.63 0.96 Allowed Glycine 0 C--N 1.332 0.329 0 C-N-CA 120.268 -0.968 . . . . 0.0 114.563 -178.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.82 -31.38 75.63 Favored Glycine 0 N--CA 1.453 -0.189 0 C-N-CA 120.999 -0.62 . . . . 0.0 113.993 -178.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.806 HD22 ' HB3' ' A' ' 21' ' ' GLU . 31.3 tp -41.58 -24.09 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 113.059 0.763 . . . . 0.0 113.059 -178.76 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.639 ' HB2' ' NZ ' ' A' ' 26' ' ' LYS . 4.8 ttmp? -90.73 -68.17 0.8 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 -178.216 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -89.44 -68.26 0.79 Allowed 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 -177.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -60.14 -66.38 0.53 Allowed 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 113.301 0.852 . . . . 0.0 113.301 -177.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.554 ' HA ' HG22 ' A' ' 32' ' ' ILE . 3.6 t80 -43.55 -46.05 6.89 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -177.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.47 ' HG2' ' O ' ' A' ' 25' ' ' LEU . 14.3 mmmm -70.52 -29.66 66.22 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -179.29 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 54.6 ttp -89.76 -14.42 34.61 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -178.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.554 HG22 ' HA ' ' A' ' 29' ' ' PHE . 14.5 tt -92.53 -28.28 4.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.734 0.302 . . . . 0.0 111.61 -178.714 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -89.1 124.99 34.83 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.447 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.46 ' O ' HG21 ' A' ' 34' ' ' THR . 89.3 m -65.03 -15.04 61.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.149 0.499 . . . . 0.0 110.124 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -100.57 -19.73 16.01 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.691 -0.686 . . . . 0.0 112.197 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 49.56 22.28 0.73 Allowed 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 81.0 p -84.65 -15.88 43.86 Favored 'General case' 0 CA--C 1.511 -0.528 0 CA-C-O 121.52 0.676 . . . . 0.0 109.318 -179.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.24 25.19 7.17 Favored Glycine 0 N--CA 1.449 -0.456 0 CA-C-N 114.788 -1.096 . . . . 0.0 111.76 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 54.7 m -161.62 132.96 5.36 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.558 -0.321 . . . . 0.0 110.41 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.53 HD12 HG23 ' A' ' 32' ' ' ILE . 50.4 mt -104.96 150.67 7.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.936 0.398 . . . . 0.0 111.217 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.562 ' O ' ' N ' ' A' ' 45' ' ' LEU . 21.3 m -133.77 165.69 24.39 Favored 'General case' 0 C--O 1.22 -0.453 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 179.236 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -59.6 -54.24 48.82 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 122.519 0.328 . . . . 0.0 111.151 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -55.51 -29.99 59.86 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.317 0.58 . . . . 0.0 109.673 179.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -89.24 -22.9 22.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.579 179.015 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.562 ' N ' ' O ' ' A' ' 41' ' ' THR . 59.2 tp -66.93 -64.25 0.89 Allowed 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.039 -0.982 . . . . 0.0 111.005 -179.331 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.651 ' HA ' HD12 ' A' ' 61' ' ' ILE . 14.2 ptmm? -55.76 -38.38 69.76 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.475 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -66.11 -16.64 64.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.088 0.471 . . . . 0.0 110.461 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -89.03 -41.37 5.91 Favored Glycine 0 N--CA 1.45 -0.4 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.258 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.564 HD11 HD11 ' A' ' 56' ' ' LEU . 7.8 tt -77.16 -20.37 55.59 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 178.5 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -84.74 -36.46 21.77 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.264 179.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 55.1 ttp180 -51.04 -30.64 16.11 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.962 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 34.4 m -88.97 -30.79 5.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.899 179.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 67.73 49.07 52.05 Favored Glycine 0 C--N 1.332 0.329 0 C-N-CA 120.708 -0.758 . . . . 0.0 113.032 179.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 60.3 m -60.67 -101.15 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.757 0.279 . . . . 0.0 110.913 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -175.38 42.36 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.771 0.319 . . . . 0.0 110.847 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.564 HD11 HD11 ' A' ' 49' ' ' LEU . 16.5 mt -111.89 178.75 4.21 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 121.281 0.562 . . . . 0.0 111.281 -179.677 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.558 ' HG3' ' HG ' ' A' ' 59' ' ' SER . 50.3 tpp -107.16 125.21 50.79 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.281 178.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.601 ' HA ' HD13 ' A' ' 61' ' ' ILE . 11.9 pm0 -50.47 -10.68 0.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.18 0.514 . . . . 0.0 111.564 -179.617 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.568 ' O ' ' HG3' ' A' ' 62' ' ' LYS . 53.9 m -67.4 -44.9 77.72 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.371 -179.575 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.499 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 43.5 tt0 -68.23 -20.07 64.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.855 0.36 . . . . 0.0 110.209 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.651 HD12 ' HA ' ' A' ' 46' ' ' LYS . 46.9 mt -69.11 -37.74 77.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.491 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.568 ' HG3' ' O ' ' A' ' 59' ' ' SER . 0.0 OUTLIER -73.41 -35.94 65.91 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.667 0.27 . . . . 0.0 110.576 -179.704 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -78.89 -24.26 44.29 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 121.135 0.493 . . . . 0.0 109.734 179.012 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.499 ' HB2' ' O ' ' A' ' 60' ' ' GLU . 34.7 tp -75.0 -29.6 60.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.85 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.423 ' HB3' ' HE1' ' A' ' 65' ' ' MET . 13.2 tmm? -82.64 -45.36 14.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.95 -179.63 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -63.4 -52.51 61.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.352 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.38 -7.47 31.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.846 -179.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.465 ' HB3' HD12 ' A' ' 76' ' ' ILE . . . -94.81 -48.77 5.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.78 0.324 . . . . 0.0 111.469 -179.727 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.663 ' HB2' HD13 ' A' ' 76' ' ' ILE . 25.1 t70 -94.49 118.71 32.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.077 0.465 . . . . 0.0 110.893 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.437 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 14.4 tt -83.58 -19.86 9.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.533 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.574 ' HB2' ' OE2' ' A' ' 80' ' ' GLU . 58.2 t0 -64.24 -13.0 46.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.309 179.612 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.437 ' HG2' ' O ' ' A' ' 70' ' ' ILE . 45.4 mmtm 46.73 28.02 0.75 Allowed 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.925 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 81.0 p -94.17 -1.37 54.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.055 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.464 ' O ' HG23 ' A' ' 41' ' ' THR . . . 90.01 -16.28 57.41 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.442 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 69.3 p -110.75 127.63 55.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.857 0.36 . . . . 0.0 110.812 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.663 HD13 ' HB2' ' A' ' 69' ' ' ASP . 6.7 tp -98.47 140.57 17.95 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.481 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.467 ' HB3' ' HG3' ' A' ' 20' ' ' GLU . 56.3 m-20 -128.49 152.85 47.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.471 179.505 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.427 ' CB ' ' HA ' ' A' ' 20' ' ' GLU . 3.9 m-30 -60.33 -14.02 16.12 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.756 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.554 ' HA3' ' HB2' ' A' ' 20' ' ' GLU . . . -88.23 -40.87 6.37 Favored Glycine 0 N--CA 1.453 -0.185 0 C-N-CA 120.571 -0.823 . . . . 0.0 112.956 -179.732 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.574 ' OE2' ' HB2' ' A' ' 71' ' ' ASP . 51.1 mt-10 -88.15 -20.92 24.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.864 0.364 . . . . 0.0 111.032 -179.514 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -60.64 -56.01 26.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.759 179.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 8.8 tp -75.82 -19.41 15.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.96 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -52.71 -29.84 29.01 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.161 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -125.15 71.07 1.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.842 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 88.5 m -139.75 -29.86 0.72 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.904 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 35.6 m -57.23 143.65 11.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.15 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 23.4 t-80 . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.213 -0.898 . . . . 0.0 110.836 -179.834 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.845 0.355 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.6 p -145.46 143.97 30.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.9 p -105.72 -28.83 10.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.87 46.27 0.18 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.4 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 16.0 m80 -127.03 -170.02 2.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.859 0.362 . . . . 0.0 110.816 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 51.3 mm -59.2 107.37 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.823 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -139.62 -73.85 0.37 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -133.96 -51.05 0.83 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.128 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -172.15 62.46 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.926 0.393 . . . . 0.0 111.366 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -97.64 -64.35 1.05 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.127 0.489 . . . . 0.0 110.846 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.544 ' HZ1' ' HG3' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -89.05 -18.43 27.31 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.129 179.86 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.47 ' CE1' ' HE3' ' A' ' 11' ' ' LYS . 90.8 m-70 -66.42 -20.88 66.18 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.934 -1.03 . . . . 0.0 110.594 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 63.8 mtm -61.54 -29.87 70.28 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -94.95 -14.47 24.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.221 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.544 ' HG3' ' HZ1' ' A' ' 11' ' ' LYS . 54.7 mm-40 -93.1 22.68 4.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.943 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.438 ' HG2' HH11 ' A' ' 16' ' ' ARG . 67.8 mtt-85 -80.97 83.38 6.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.888 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.501 HD13 HD13 ' A' ' 22' ' ' ILE . 0.9 OUTLIER -63.32 169.86 3.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.253 179.891 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.499 ' O ' HG12 ' A' ' 22' ' ' ILE . 22.7 t -138.76 -165.47 1.83 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.987 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.517 ' HA ' ' HB ' ' A' ' 22' ' ' ILE . 57.5 mt-10 -51.42 -23.77 4.22 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.648 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.0 tp10 -55.81 -22.85 26.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.2 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.701 ' HA ' ' HB3' ' A' ' 78' ' ' TYR . 88.8 tt0 -124.62 -20.66 5.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.517 ' HB ' ' HA ' ' A' ' 19' ' ' GLU . 49.8 mm -74.71 -24.1 18.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.187 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -52.06 -62.99 5.17 Favored Glycine 0 C--N 1.331 0.259 0 C-N-CA 121.071 -0.585 . . . . 0.0 113.066 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -78.36 -18.01 76.87 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.448 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.718 HD12 ' HA2' ' A' ' 38' ' ' GLY . 29.1 tp -54.88 -21.91 13.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.768 0.318 . . . . 0.0 111.576 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -73.28 -67.7 0.56 Allowed 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -178.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -89.13 -67.71 0.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -178.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 96.0 mt -44.81 -63.72 0.85 Allowed 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 113.29 0.848 . . . . 0.0 113.29 -177.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.561 ' HB2' ' HA ' ' A' ' 25' ' ' LEU . 10.8 m-85 -59.29 -65.21 0.71 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -178.169 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.571 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 27.6 mtpp -41.95 -30.81 0.29 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.897 -178.735 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 54.7 ttm -89.83 -31.7 17.25 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.639 HG23 HD11 ' A' ' 40' ' ' ILE . 47.3 mm -93.87 -65.32 1.12 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.398 0 CA-C-O 121.066 0.46 . . . . 0.0 110.224 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.55 ' HA ' ' OE2' ' A' ' 44' ' ' GLU . 67.8 t0 -48.81 102.45 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.7 179.112 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 90.5 m -59.94 -15.68 23.8 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-O 121.63 0.729 . . . . 0.0 109.385 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.473 ' HB3' ' OG ' ' A' ' 37' ' ' SER . 66.2 m-20 -100.74 -17.78 16.79 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 114.675 -1.148 . . . . 0.0 111.96 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.436 ' ND2' ' HA ' ' A' ' 30' ' ' LYS . 4.1 m120 51.03 17.7 0.47 Allowed 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 -178.734 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.473 ' OG ' ' HB3' ' A' ' 35' ' ' ASP . 15.9 m -69.84 -15.73 63.15 Favored 'General case' 0 CA--C 1.511 -0.54 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.718 ' HA2' HD12 ' A' ' 25' ' ' LEU . . . 101.29 3.88 53.63 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 114.484 -1.235 . . . . 0.0 111.792 -179.433 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 69.4 p -139.19 136.47 35.08 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.639 HD11 HG23 ' A' ' 32' ' ' ILE . 59.4 mt -104.1 136.48 37.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.848 -179.633 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.582 ' HA ' ' HE3' ' A' ' 65' ' ' MET . 15.5 m -131.7 162.45 30.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.355 -179.449 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.567 ' HE1' ' HB ' ' A' ' 61' ' ' ILE . 55.1 t80 -49.24 -32.22 10.23 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 124.035 0.934 . . . . 0.0 112.217 179.68 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -66.5 -58.44 5.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.085 0.469 . . . . 0.0 110.642 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.637 ' OE2' ' HA ' ' A' ' 40' ' ' ILE . 12.6 pt-20 -75.55 -17.31 60.11 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.248 179.681 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.448 ' CD2' ' HB2' ' A' ' 65' ' ' MET . 37.6 tp -55.46 -67.1 0.31 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.117 -179.117 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.76 ' HB3' HD12 ' A' ' 61' ' ' ILE . 26.1 pttm -54.96 -38.57 67.94 Favored 'General case' 0 C--O 1.222 -0.366 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.83 -179.24 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.468 ' O ' ' HB2' ' A' ' 51' ' ' ARG . 30.3 m-20 -46.14 -15.02 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 -179.559 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.405 ' H ' ' C ' ' A' ' 46' ' ' LYS . . . -86.65 -60.3 1.72 Allowed Glycine 0 N--CA 1.453 -0.194 0 C-N-CA 120.733 -0.746 . . . . 0.0 113.437 -178.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 87.1 mt -85.27 -21.37 29.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.142 0.496 . . . . 0.0 110.759 -179.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.845 ' HE3' ' HB3' ' A' ' 56' ' ' LEU . 11.6 mptt -86.78 -15.18 40.1 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.104 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.512 ' HD3' ' C ' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -43.24 -35.9 1.6 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.832 179.685 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 35.5 m -101.35 -22.41 4.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.375 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 59.07 48.26 86.78 Favored Glycine 0 C--N 1.331 0.297 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.222 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 45.5 t -75.56 -84.03 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.782 0.289 . . . . 0.0 111.782 -179.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -115.1 -16.1 11.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.606 -178.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.845 ' HB3' ' HE3' ' A' ' 50' ' ' LYS . 3.0 mm? -49.42 148.64 2.61 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-O 121.472 0.653 . . . . 0.0 112.106 -179.591 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.497 ' C ' ' H ' ' A' ' 59' ' ' SER . 48.6 ttm -126.05 132.7 51.9 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 114.899 -1.046 . . . . 0.0 109.427 178.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.497 ' HA ' ' CD1' ' A' ' 61' ' ' ILE . 38.6 tt0 -51.18 -9.71 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.538 -179.714 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.497 ' H ' ' C ' ' A' ' 57' ' ' MET . 86.4 p -85.13 -41.47 15.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.98 -179.159 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.457 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 44.1 tt0 -64.4 -25.16 67.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.559 0.219 . . . . 0.0 111.058 -179.436 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.76 HD12 ' HB3' ' A' ' 46' ' ' LYS . 3.9 mt -63.15 -24.6 36.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.349 -179.484 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.438 ' HE3' ' O ' ' A' ' 58' ' ' GLU . 29.1 mmtp -70.84 -64.23 0.94 Allowed 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 121.104 0.478 . . . . 0.0 109.748 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.418 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 8.7 t70 -59.42 -17.13 28.08 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 178.274 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.47 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 40.6 tp -80.61 -45.68 16.9 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.514 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.582 ' HE3' ' HA ' ' A' ' 41' ' ' THR . 0.0 OUTLIER -88.07 -55.77 3.61 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.655 -178.932 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -50.44 -40.71 51.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.452 -179.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' A' ' 63' ' ' ASP . . . -83.09 -17.35 43.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.728 0.299 . . . . 0.0 111.298 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.47 ' HB3' ' O ' ' A' ' 64' ' ' LEU . . . -62.65 -56.64 15.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.173 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.564 ' HB2' ' OE1' ' A' ' 80' ' ' GLU . 7.4 p-10 -110.3 127.64 55.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.123 0.487 . . . . 0.0 110.491 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.591 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 15.9 tt -83.91 -14.39 11.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.541 -179.568 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.436 ' HB2' ' OE2' ' A' ' 80' ' ' GLU . 56.9 t0 -59.01 -20.66 55.12 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.45 179.749 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.591 ' HG2' ' O ' ' A' ' 70' ' ' ILE . 34.0 mmtp 58.36 15.24 3.33 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-N 115.987 -0.552 . . . . 0.0 109.943 -179.487 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 87.3 p -77.34 0.74 21.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.371 -0.832 . . . . 0.0 111.382 -179.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.567 ' O ' ' HE2' ' A' ' 65' ' ' MET . . . 78.23 -3.36 62.48 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.259 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 70.3 p -140.44 132.53 27.94 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 179.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.537 HD11 ' HB2' ' A' ' 81' ' ' PHE . 15.0 tt -94.58 140.62 16.36 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 CA-C-O 121.091 0.472 . . . . 0.0 111.73 -179.33 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -110.76 167.96 9.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.248 179.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.701 ' HB3' ' HA ' ' A' ' 21' ' ' GLU . 33.2 t80 -73.24 -32.35 64.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.169 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -74.16 -26.4 68.6 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.776 -0.726 . . . . 0.0 113.113 -179.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.564 ' OE1' ' HB2' ' A' ' 69' ' ' ASP . 34.2 tt0 -88.49 -43.11 11.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.913 0.387 . . . . 0.0 110.764 -179.775 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.537 ' HB2' HD11 ' A' ' 76' ' ' ILE . 28.9 t80 -57.38 -42.64 82.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.145 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 13.8 tt -66.31 -30.76 50.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.393 -179.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.74 -30.86 70.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.343 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -126.98 104.77 8.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.186 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 8.4 t -144.23 -33.86 0.39 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 46.4 t 57.0 92.91 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.435 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 75.5 t60 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.886 179.8 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . 0.558 ' HD1' ' H3 ' ' A' ' 1' ' ' HIS . 22.0 m80 . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 120.843 0.354 . . . . 0.0 111.137 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.9 t -78.16 145.58 35.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.2 t -63.03 -17.73 62.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.49 105.43 0.21 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.497 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 10.8 p80 -76.77 -1.32 27.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.84 0.352 . . . . 0.0 110.915 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 62.2 mt -99.68 81.22 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.613 179.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -167.91 -55.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.574 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -118.59 145.02 45.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.869 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -93.84 33.06 1.35 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -93.21 -52.24 4.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.798 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.51 ' HD3' ' C ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -82.17 -29.78 31.34 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.589 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.455 ' N ' ' HD3' ' A' ' 11' ' ' LYS . 39.8 t-80 -72.57 -24.06 61.05 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.452 -179.701 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 50.4 ttm -63.54 -30.45 71.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.055 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -93.08 -11.87 31.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.144 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.454 ' C ' ' H ' ' A' ' 17' ' ' LEU . 91.5 mt-10 -126.66 29.27 5.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.871 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.65 22.04 0.1 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.811 -179.712 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.454 ' H ' ' C ' ' A' ' 15' ' ' GLU . 2.8 mm? -71.15 146.21 49.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.759 0.314 . . . . 0.0 110.697 179.696 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.465 ' HB3' ' HG2' ' A' ' 20' ' ' GLU . 55.6 m -102.4 86.51 2.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.913 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.05 -14.68 61.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.818 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.698 ' HB2' HD11 ' A' ' 82' ' ' ILE . 24.5 pt-20 -49.15 -28.53 4.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.277 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -130.37 -18.08 3.27 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.332 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 45.3 mm -95.38 -38.16 8.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -179.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.558 ' C ' ' HB2' ' A' ' 28' ' ' LEU . . . -95.88 -64.02 0.96 Allowed Glycine 0 C--N 1.332 0.308 0 C-N-CA 120.619 -0.801 . . . . 0.0 112.868 -179.418 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.541 ' O ' ' HB2' ' A' ' 29' ' ' PHE . . . -55.09 -2.92 0.25 Allowed Glycine 0 N--CA 1.451 -0.349 0 CA-C-N 115.556 -0.322 . . . . 0.0 113.504 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.451 ' H ' ' C ' ' A' ' 23' ' ' GLY . 3.2 tm? -82.85 -63.35 1.38 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 117.327 0.563 . . . . 0.0 111.943 -178.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -92.53 -69.54 0.74 Allowed 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 114.774 1.398 . . . . 0.0 114.774 -177.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -89.51 -67.88 0.81 Allowed 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 -176.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.558 ' HB2' ' C ' ' A' ' 23' ' ' GLY . 3.8 mm? -38.37 -35.87 0.2 Allowed 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 -177.465 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.541 ' HB2' ' O ' ' A' ' 24' ' ' GLY . 0.5 OUTLIER -55.27 -58.09 9.14 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.914 0.388 . . . . 0.0 111.264 -179.699 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -70.84 -21.14 62.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.627 -179.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 25.1 mmt -88.02 -17.51 31.03 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -178.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.604 HG21 HD13 ' A' ' 40' ' ' ILE . 29.9 mm -93.67 -54.42 7.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.365 0.603 . . . . 0.0 109.796 179.273 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.4 ' OD2' ' N ' ' A' ' 36' ' ' ASN . 12.4 t70 -56.58 105.78 0.24 Allowed 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.988 179.084 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.1 t -56.89 -25.6 57.34 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-O 121.748 0.785 . . . . 0.0 109.61 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -76.72 -24.91 53.07 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.262 -1.335 . . . . 0.0 110.299 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.4 ' N ' ' OD2' ' A' ' 33' ' ' ASP . 5.3 m120 53.37 16.66 0.91 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.002 -179.365 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 70.6 p -77.31 -19.26 56.64 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 107.83 14.57 16.99 Favored Glycine 0 N--CA 1.451 -0.324 0 CA-C-N 114.972 -1.013 . . . . 0.0 112.373 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.546 ' HB ' ' CG2' ' A' ' 75' ' ' THR . 24.2 p -157.44 142.61 17.0 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.604 HD13 HG21 ' A' ' 32' ' ' ILE . 84.2 mt -104.58 143.71 15.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.662 0.268 . . . . 0.0 110.966 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.578 ' N ' HG23 ' A' ' 40' ' ' ILE . 82.8 p -134.26 145.14 48.83 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.286 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.583 ' HB2' ' HG2' ' A' ' 65' ' ' MET . 35.1 t80 -34.83 -43.25 0.18 Allowed 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 123.333 0.653 . . . . 0.0 112.391 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -48.28 -49.64 32.86 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.935 0.398 . . . . 0.0 110.748 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.519 ' HG2' ' O ' ' A' ' 41' ' ' THR . 12.7 pt-20 -86.61 -33.24 20.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.546 179.596 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.521 HD22 ' HB3' ' A' ' 65' ' ' MET . 48.5 tp -43.64 -62.57 1.05 Allowed 'General case' 0 C--O 1.231 0.131 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.471 -179.594 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.447 ' HG3' ' N ' ' A' ' 47' ' ' ASP . 14.1 ptmm? -49.62 -54.49 18.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.901 -179.522 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.611 ' HA ' ' HB3' ' A' ' 50' ' ' LYS . 58.7 m-20 -64.01 -16.07 60.82 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.773 0.32 . . . . 0.0 111.46 -179.589 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -74.88 -43.58 27.29 Favored Glycine 0 CA--C 1.505 -0.533 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.491 ' O ' HG23 ' A' ' 52' ' ' VAL . 28.8 tp -89.43 -19.38 25.22 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 178.606 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.611 ' HB3' ' HA ' ' A' ' 47' ' ' ASP . 57.4 tptt -79.18 -26.38 42.68 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.994 179.502 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.451 ' HE ' ' HA ' ' A' ' 51' ' ' ARG . 5.6 tpm_? -46.62 -30.04 2.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.088 179.624 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 49' ' ' LEU . 23.8 m -89.9 -31.45 5.27 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.273 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 59.01 49.46 78.26 Favored Glycine 0 C--N 1.332 0.339 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.929 179.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 44.6 t -79.78 -99.13 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.825 0.312 . . . . 0.0 110.851 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -141.16 54.1 1.56 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.987 0.422 . . . . 0.0 110.071 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.425 HD21 ' HA ' ' A' ' 50' ' ' LYS . 1.1 pp -103.57 164.45 11.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.462 0.649 . . . . 0.0 112.568 -179.007 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.596 ' HE2' ' HB3' ' A' ' 59' ' ' SER . 21.1 ptm -126.53 120.9 30.8 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.934 -1.03 . . . . 0.0 109.644 178.712 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -55.23 -9.71 0.46 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.77 -179.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.596 ' HB3' ' HE2' ' A' ' 57' ' ' MET . 43.5 t -75.67 -28.78 58.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.338 -179.322 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.429 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 58.5 mm-40 -89.16 -17.81 28.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.96 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.446 HG21 ' HA ' ' A' ' 46' ' ' LYS . 41.2 mm -69.45 -39.93 79.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.75 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.587 ' HD2' ' N ' ' A' ' 63' ' ' ASP . 0.0 OUTLIER -75.81 -27.7 58.02 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.997 0.427 . . . . 0.0 110.524 179.823 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.587 ' N ' ' HD2' ' A' ' 62' ' ' LYS . 8.9 t70 -86.26 -18.86 30.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.108 179.523 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.501 ' O ' ' HB1' ' A' ' 68' ' ' ALA . 41.8 tp -78.52 -44.41 24.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.416 179.758 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.583 ' HG2' ' HB2' ' A' ' 42' ' ' PHE . 3.7 ppp? -73.4 -19.78 60.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.979 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -84.07 -40.4 18.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.805 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -79.77 -46.94 16.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.265 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.501 ' HB1' ' O ' ' A' ' 64' ' ' LEU . . . -59.74 -53.68 55.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.222 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.458 ' HB2' ' HB ' ' A' ' 76' ' ' ILE . 4.4 t70 -83.53 114.57 21.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.078 0.466 . . . . 0.0 110.697 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.555 HG23 ' HA ' ' A' ' 84' ' ' ALA . 14.2 tt -85.25 -20.63 8.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.024 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.504 ' O ' ' HG3' ' A' ' 72' ' ' LYS . 29.9 t70 -63.76 -10.45 19.8 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.226 -179.655 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.504 ' HG3' ' O ' ' A' ' 71' ' ' ASP . 7.2 pttm 39.92 27.05 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.603 179.675 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 89.2 p -90.72 -0.97 57.87 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.221 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 88.1 -19.15 36.23 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.565 -0.826 . . . . 0.0 111.571 -179.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.546 ' CG2' ' HB ' ' A' ' 39' ' ' THR . 96.7 m -111.33 127.17 55.56 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 179.2 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.458 ' HB ' ' HB2' ' A' ' 69' ' ' ASP . 14.1 tt -114.85 152.51 16.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 -178.167 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -131.07 154.63 48.05 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 114.659 -1.155 . . . . 0.0 109.329 178.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.526 ' HB3' ' O ' ' A' ' 20' ' ' GLU . 2.2 m-85 -70.63 -20.44 62.73 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.998 -179.744 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -83.53 -23.58 53.28 Favored Glycine 0 CA--C 1.521 0.442 0 C-N-CA 120.794 -0.717 . . . . 0.0 113.826 -179.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.641 ' HB2' ' O ' ' A' ' 84' ' ' ALA . 15.6 pt-20 -88.15 -36.37 16.89 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 117.221 0.511 . . . . 0.0 111.635 -179.289 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -48.05 -24.2 1.02 Allowed 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.698 HD11 ' HB2' ' A' ' 20' ' ' GLU . 1.9 mp -86.9 -69.49 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -178.818 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -82.14 -67.34 0.79 Allowed 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -178.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.641 ' O ' ' HB2' ' A' ' 80' ' ' GLU . . . -175.14 -77.56 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.766 0.317 . . . . 0.0 111.275 -179.67 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.499 HG21 ' HB2' ' A' ' 71' ' ' ASP . 44.4 p -146.33 -80.31 0.16 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.942 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.402 HG11 ' O ' ' A' ' 86' ' ' VAL . 7.2 p -173.74 130.37 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.949 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 41.9 m170 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.889 -179.876 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 18.6 m80 . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.807 0.337 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.7 m -150.54 -171.5 3.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.7 p -96.78 17.9 15.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.43 154.59 6.51 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.398 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 17.1 m80 -97.75 81.12 2.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.839 0.352 . . . . 0.0 110.867 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 66.4 mt -106.19 122.86 60.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.978 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.863 ' HA ' ' HB2' ' A' ' 11' ' ' LYS . 53.0 p-10 -86.11 36.82 0.69 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.023 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -125.05 15.31 8.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.365 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -157.06 -85.74 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 111.788 0.292 . . . . 0.0 111.788 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -77.55 -32.64 54.02 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.909 0.385 . . . . 0.0 111.433 -179.085 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.863 ' HB2' ' HA ' ' A' ' 7' ' ' ASP . 2.7 mmmp? -86.85 -10.4 53.51 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.753 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 19.2 t-160 -87.03 -43.15 12.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.587 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 27.4 ttt -62.72 -18.11 61.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.977 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.73 -19.77 28.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.076 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -121.61 14.07 10.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.866 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.426 ' O ' ' HD2' ' A' ' 16' ' ' ARG . 6.0 ppt_? -53.22 162.64 0.68 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.482 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 66.9 mt -58.84 132.54 54.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.209 -179.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.5 ' O ' HG12 ' A' ' 22' ' ' ILE . 47.2 t -134.88 89.56 2.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.772 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -80.92 -9.3 59.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.265 -179.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -66.77 -14.94 63.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.151 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.41 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 41.3 tt0 -122.8 0.17 9.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.063 -179.554 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.5 HG12 ' O ' ' A' ' 18' ' ' SER . 49.1 mm -95.91 -37.07 7.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -179.639 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.559 ' HA3' HD21 ' A' ' 28' ' ' LEU . . . -95.71 -49.93 2.06 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.572 -0.823 . . . . 0.0 113.567 -178.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.731 ' HA2' ' HB2' ' A' ' 29' ' ' PHE . . . -57.67 -10.82 6.69 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 121.05 -0.595 . . . . 0.0 113.566 -178.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -88.35 -59.6 2.19 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -179.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.455 ' O ' ' HB2' ' A' ' 30' ' ' LYS . 66.7 mttm -92.29 -68.78 0.78 Allowed 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 115.46 1.652 . . . . 0.0 115.46 -177.133 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -90.32 -69.62 0.72 Allowed 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 116.163 1.912 . . . . 0.0 116.163 -175.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.773 ' H ' HD12 ' A' ' 28' ' ' LEU . 10.1 mp -38.51 -64.1 0.45 Allowed 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 -175.72 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.731 ' HB2' ' HA2' ' A' ' 24' ' ' GLY . 2.1 t80 -71.53 -57.59 4.28 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -177.463 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.553 ' HZ1' ' HA3' ' A' ' 38' ' ' GLY . 73.9 mmtt -47.85 -25.53 1.33 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -178.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 50.5 ttm -90.15 -22.56 21.67 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 112.534 0.568 . . . . 0.0 112.534 -178.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.61 HD13 HD12 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -91.72 -39.85 11.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.549 0.214 . . . . 0.0 110.886 -179.242 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.419 ' N ' HG21 ' A' ' 32' ' ' ILE . 30.4 t70 -53.49 126.09 20.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.916 0.389 . . . . 0.0 110.443 179.585 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 89.3 m -61.93 -15.83 46.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.111 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -104.42 -13.76 15.97 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.662 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 71.6 m-20 53.2 16.77 0.86 Allowed 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 -179.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 59.7 p -80.01 -19.07 48.62 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.752 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.553 ' HA3' ' HZ1' ' A' ' 30' ' ' LYS . . . 107.01 0.59 35.93 Favored Glycine 0 N--CA 1.452 -0.266 0 CA-C-N 115.21 -0.904 . . . . 0.0 112.726 179.651 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.597 ' HB ' ' HB ' ' A' ' 75' ' ' THR . 75.5 p -139.05 131.59 28.74 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 179.566 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.61 HD12 HD13 ' A' ' 32' ' ' ILE . 72.8 mt -104.31 140.74 21.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.992 -179.608 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.5 ' O ' ' N ' ' A' ' 45' ' ' LEU . 2.1 t -116.24 165.01 13.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.01 0.433 . . . . 0.0 111.401 179.732 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.404 ' HB2' ' HG3' ' A' ' 65' ' ' MET . 28.1 t80 -37.65 -61.54 0.61 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.83 -1.077 . . . . 0.0 112.6 179.767 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.553 ' HA ' ' HE2' ' A' ' 46' ' ' LYS . 8.5 t70 -51.4 -38.69 54.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.853 0.358 . . . . 0.0 111.147 -179.308 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 77.5 mt-10 -89.29 -14.03 36.7 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.863 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 41' ' ' THR . 42.5 tp -72.49 -49.75 30.84 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.584 -179.776 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.553 ' HE2' ' HA ' ' A' ' 43' ' ' ASP . 59.4 pttt -60.29 -22.17 62.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.619 -0.718 . . . . 0.0 111.182 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.72 ' HA ' ' HB3' ' A' ' 50' ' ' LYS . 33.3 t70 -56.49 -17.44 8.3 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.033 0.444 . . . . 0.0 110.398 179.644 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -70.43 -48.64 35.95 Favored Glycine 0 N--CA 1.45 -0.429 0 N-CA-C 111.101 -0.8 . . . . 0.0 111.101 179.15 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.545 ' N ' HD21 ' A' ' 49' ' ' LEU . 2.9 mm? -89.96 -13.95 35.1 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 178.621 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.72 ' HB3' ' HA ' ' A' ' 47' ' ' ASP . 87.4 tttt -75.54 -38.71 59.1 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.546 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 56.7 ttp180 -44.91 -38.15 4.45 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.303 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.456 HG21 ' N ' ' A' ' 53' ' ' GLY . 35.5 m -89.67 -30.35 5.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.154 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.456 ' N ' HG21 ' A' ' 52' ' ' VAL . . . 45.42 48.29 11.54 Favored Glycine 0 C--N 1.333 0.37 0 CA-C-N 116.147 -0.479 . . . . 0.0 113.287 179.48 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 46.0 t -79.64 -81.93 0.11 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.86 0.362 . . . . 0.0 110.739 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.415 ' O ' ' HG2' ' A' ' 55' ' ' GLU . 86.3 tt0 -150.32 39.85 0.76 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.397 0.618 . . . . 0.0 109.788 179.562 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.9 pp -60.55 178.4 0.22 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.976 -179.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.41 ' HG2' ' HB3' ' A' ' 59' ' ' SER . 49.0 ttm -126.34 107.18 10.06 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.01 -0.996 . . . . 0.0 109.569 178.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -58.17 -12.81 3.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.132 0.492 . . . . 0.0 110.231 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.41 ' HB3' ' HG2' ' A' ' 57' ' ' MET . 47.4 t -87.68 -27.97 22.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.728 179.406 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.428 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 44.8 tt0 -70.2 -33.11 71.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.692 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.457 HG23 ' O ' ' A' ' 61' ' ' ILE . 35.2 mm -59.75 -18.77 15.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.734 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 26.6 mmmt -73.99 -65.01 0.89 Allowed 'General case' 0 CA--C 1.513 -0.463 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 179.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -57.6 -17.17 12.93 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 178.001 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.428 ' HB2' ' O ' ' A' ' 60' ' ' GLU . 5.0 tt -86.28 -35.34 19.99 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.453 179.767 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.474 ' O ' ' HB1' ' A' ' 68' ' ' ALA . 11.4 tmm? -87.79 -57.9 2.77 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.204 -179.536 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -48.95 -36.77 18.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.315 -179.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -92.86 -12.53 30.8 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.549 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.501 ' HB3' HD12 ' A' ' 76' ' ' ILE . . . -59.89 -57.85 11.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.753 -179.723 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.636 ' HB3' ' HA ' ' A' ' 76' ' ' ILE . 12.5 p-10 -105.56 129.27 53.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.285 0.564 . . . . 0.0 111.233 -179.455 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.612 ' O ' ' HD3' ' A' ' 72' ' ' LYS . 0.2 OUTLIER -83.61 -12.73 11.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.062 179.624 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -69.0 -11.24 60.6 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.925 -1.034 . . . . 0.0 110.478 179.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.612 ' HD3' ' O ' ' A' ' 70' ' ' ILE . 0.5 OUTLIER 43.08 30.24 0.25 Allowed 'General case' 0 CA--C 1.522 -0.126 0 CA-C-O 121.117 0.484 . . . . 0.0 111.396 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 93.0 p -93.49 -0.39 56.4 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.925 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 87.26 -7.88 78.99 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.503 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.597 ' HB ' ' HB ' ' A' ' 39' ' ' THR . 73.5 p -124.0 131.24 53.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.843 0.354 . . . . 0.0 110.887 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.636 ' HA ' ' HB3' ' A' ' 69' ' ' ASP . 9.3 tt -90.37 148.62 4.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.481 -179.759 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -131.07 149.37 52.64 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.516 -0.766 . . . . 0.0 109.551 179.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.582 ' CB ' ' HA3' ' A' ' 24' ' ' GLY . 6.1 t80 -51.47 -41.0 60.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.752 0.31 . . . . 0.0 111.56 -179.24 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -72.57 -26.13 72.45 Favored Glycine 0 CA--C 1.517 0.178 0 C-N-CA 120.964 -0.636 . . . . 0.0 113.116 -179.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.404 ' OE1' ' HB2' ' A' ' 69' ' ' ASP . 94.5 mt-10 -88.12 -23.03 23.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.911 0.386 . . . . 0.0 111.075 -179.757 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -66.19 -33.61 76.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.9 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 13.7 tt -84.57 -28.09 6.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.057 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.33 -27.37 35.45 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.986 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -88.52 -89.01 0.14 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.945 179.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.439 HG23 ' N ' ' A' ' 86' ' ' VAL . 94.0 m -158.66 143.92 16.35 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.786 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.439 ' N ' HG23 ' A' ' 85' ' ' THR . 35.3 m -94.43 -169.53 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.937 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 43.7 m170 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.285 -0.864 . . . . 0.0 110.759 179.786 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.81 0.338 . . . . 0.0 111.261 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.6 m -105.47 158.25 16.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.725 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.7 p -88.93 19.64 4.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.988 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.94 154.91 2.76 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.463 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 19.9 m80 -113.16 41.18 2.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.868 0.366 . . . . 0.0 110.937 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 63.6 mt -67.95 88.85 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.79 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -165.95 -80.89 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -166.79 26.08 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.029 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -92.66 -90.24 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.702 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -98.78 -13.51 20.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.006 0.432 . . . . 0.0 110.664 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.4 mmtm -87.22 -9.14 55.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.281 -179.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 9.4 p-80 -64.77 -29.65 70.63 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-O 121.289 0.566 . . . . 0.0 109.889 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.59 ' HG3' HD11 ' A' ' 22' ' ' ILE . 55.7 ttp -87.4 -8.6 56.37 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.83 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.96 -19.41 23.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.912 -179.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.8 ' HG3' ' H ' ' A' ' 16' ' ' ARG . 13.1 pt-20 -91.58 -90.52 0.16 Allowed 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 120.6 0.238 . . . . 0.0 111.639 -179.551 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.8 ' H ' ' HG3' ' A' ' 15' ' ' GLU . 58.9 mtt85 -151.52 -11.52 0.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.092 -179.68 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 30.4 tp -62.33 104.92 0.54 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.082 0.467 . . . . 0.0 111.46 -179.044 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 80.2 p -147.73 107.59 4.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.776 179.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.594 ' HB3' ' OE2' ' A' ' 20' ' ' GLU . 88.9 tt0 -57.11 -61.13 2.67 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.615 -178.613 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.594 ' OE2' ' HB3' ' A' ' 19' ' ' GLU . 2.0 pm0 -92.96 -68.28 0.81 Allowed 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 120.613 -0.435 . . . . 0.0 111.884 179.301 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 1.047 ' HB3' ' HB2' ' A' ' 78' ' ' TYR . 17.1 tp10 -177.86 25.31 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 121.147 0.498 . . . . 0.0 110.026 179.361 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.59 HD11 ' HG3' ' A' ' 13' ' ' MET . 2.6 pp -50.97 -12.75 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.326 -179.391 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.546 ' N ' HD12 ' A' ' 22' ' ' ILE . . . -54.47 -40.54 69.73 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.97 -0.633 . . . . 0.0 112.887 -179.702 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -92.93 -4.63 64.92 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.803 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.546 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 2.4 tm? -54.81 -43.83 73.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.751 0.31 . . . . 0.0 111.625 -179.637 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.935 ' HA ' ' HE3' ' A' ' 30' ' ' LYS . 6.5 ttpm? -76.41 -30.73 57.57 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -178.201 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -89.01 -68.94 0.74 Allowed 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 -177.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.533 ' HG ' ' H ' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -90.73 -56.47 3.17 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 114.511 1.3 . . . . 0.0 114.511 -177.427 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.533 ' H ' ' HG ' ' A' ' 28' ' ' LEU . 0.9 OUTLIER -37.36 -65.25 0.32 Allowed 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 -176.833 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.935 ' HE3' ' HA ' ' A' ' 26' ' ' LYS . 10.4 mtmp? -53.42 -44.36 68.73 Favored 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 111.738 0.273 . . . . 0.0 111.738 -179.262 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.48 ' HB2' ' HE2' ' A' ' 31' ' ' MET . 44.5 tpp -56.29 -21.57 24.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.807 0.337 . . . . 0.0 111.111 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.658 HG22 HD11 ' A' ' 40' ' ' ILE . 48.9 mm -93.5 -59.01 3.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.244 0.545 . . . . 0.0 110.43 179.532 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.51 ' OD2' ' HB3' ' A' ' 35' ' ' ASP . 30.8 t70 -57.6 111.35 1.09 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.201 -0.908 . . . . 0.0 110.794 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.472 HG23 ' O ' ' A' ' 34' ' ' THR . 60.8 m -61.99 -9.85 8.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.09 0.471 . . . . 0.0 110.134 179.568 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.51 ' HB3' ' OD2' ' A' ' 33' ' ' ASP . 53.6 t0 -94.31 -23.06 17.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.644 -179.619 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.6 m120 54.67 15.23 1.02 Allowed 'General case' 0 C--O 1.231 0.092 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.112 -179.229 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 81.0 p -80.9 -21.28 40.72 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-O 121.201 0.524 . . . . 0.0 110.007 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.517 ' HA2' HD21 ' A' ' 25' ' ' LEU . . . 109.33 10.73 23.28 Favored Glycine 0 N--CA 1.452 -0.284 0 CA-C-N 115.341 -0.845 . . . . 0.0 112.138 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 52.5 p -151.35 134.54 15.98 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.658 HD11 HG22 ' A' ' 32' ' ' ILE . 80.7 mt -103.75 149.3 7.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.743 0.306 . . . . 0.0 111.001 -179.741 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.78 HG22 HG22 ' A' ' 75' ' ' THR . 82.0 p -136.4 141.57 43.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.241 179.496 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.491 ' CZ ' ' HB3' ' A' ' 62' ' ' LYS . 26.0 t80 -38.5 -35.01 0.16 Allowed 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -58.53 -50.2 74.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.007 0.432 . . . . 0.0 110.428 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.463 ' OE1' ' HB2' ' A' ' 35' ' ' ASP . 13.0 pt-20 -86.81 -17.14 34.15 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.628 179.404 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.638 HD23 ' HB3' ' A' ' 65' ' ' MET . 20.9 tp -59.69 -61.37 2.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.844 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.471 ' HA ' HG23 ' A' ' 61' ' ' ILE . 22.1 pttp -57.33 -39.87 76.79 Favored 'General case' 0 C--O 1.224 -0.248 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.402 -179.706 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 54.5 t0 -51.14 -16.35 0.47 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.843 0.354 . . . . 0.0 111.356 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -75.38 -54.76 5.41 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.721 -0.752 . . . . 0.0 111.925 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.487 HD23 ' N ' ' A' ' 49' ' ' LEU . 2.8 mm? -87.25 -13.0 45.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.878 0.37 . . . . 0.0 110.093 179.4 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -77.86 -43.15 31.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.882 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.2 tpp85 -49.76 -35.32 21.93 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.184 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.442 HG21 ' N ' ' A' ' 53' ' ' GLY . 34.2 m -87.7 -29.99 5.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.228 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.442 ' N ' HG21 ' A' ' 52' ' ' VAL . . . 49.08 48.71 31.36 Favored Glycine 0 C--N 1.332 0.354 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.91 179.501 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 42.1 t -86.33 -95.78 0.08 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.699 0.285 . . . . 0.0 110.835 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -135.88 66.61 1.5 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.073 0.463 . . . . 0.0 110.249 179.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.521 HD13 ' N ' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -106.13 177.69 4.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.566 -179.515 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.526 ' O ' HG13 ' A' ' 61' ' ' ILE . 73.0 mtp -125.3 108.02 11.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.223 179.496 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.413 ' HA ' HD11 ' A' ' 61' ' ' ILE . 88.8 tt0 -56.34 -14.72 3.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.154 0.502 . . . . 0.0 109.975 179.453 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 45.2 t -87.63 -41.13 13.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.86 179.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.513 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 44.5 tt0 -67.45 -34.12 76.55 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.557 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.526 HG13 ' O ' ' A' ' 57' ' ' MET . 59.0 mt -52.88 -51.66 35.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.491 ' HB3' ' CZ ' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -79.67 -33.58 41.08 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.897 -179.89 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.404 ' N ' ' HD3' ' A' ' 62' ' ' LYS . 85.8 m-20 -68.23 -17.86 64.42 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.057 0.456 . . . . 0.0 110.336 179.041 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.513 ' HB2' ' O ' ' A' ' 60' ' ' GLU . 1.1 tm? -85.51 -53.46 5.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.441 -179.607 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.638 ' HB3' HD23 ' A' ' 45' ' ' LEU . 4.2 ppp? -66.97 -26.02 66.61 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.247 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -62.78 -36.05 81.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.105 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -92.64 -28.7 16.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.417 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -74.75 -4.9 40.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.131 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -126.68 103.72 7.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.554 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.524 HG23 ' O ' ' A' ' 70' ' ' ILE . 80.9 mt -83.6 -24.98 7.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.596 -179.486 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.569 ' C ' ' HD3' ' A' ' 72' ' ' LYS . 59.6 m-20 -71.47 6.62 1.73 Allowed 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 111.729 0.27 . . . . 0.0 111.729 -179.634 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.569 ' HD3' ' C ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER 32.36 43.29 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 122.755 0.422 . . . . 0.0 111.716 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 80.4 p -104.59 -3.33 23.96 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.841 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 82.65 0.72 90.27 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.594 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.78 HG22 HG22 ' A' ' 41' ' ' THR . 70.1 p -125.11 126.17 44.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.705 0.288 . . . . 0.0 110.637 179.715 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.514 ' HA ' ' OE1' ' A' ' 80' ' ' GLU . 6.3 tt -93.22 122.67 44.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.998 0.428 . . . . 0.0 111.603 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.421 ' HA ' ' HZ ' ' A' ' 29' ' ' PHE . 10.3 p-10 -121.01 163.1 18.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.659 179.401 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 1.047 ' HB2' ' HB3' ' A' ' 21' ' ' GLU . 0.1 OUTLIER -57.01 -13.7 2.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.485 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -79.91 -30.67 42.22 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.372 179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.514 ' OE1' ' HA ' ' A' ' 76' ' ' ILE . 46.7 mt-10 -86.42 -54.97 4.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.719 0.295 . . . . 0.0 110.628 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.416 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 23.9 t80 -38.13 -39.8 0.44 Allowed 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.73 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.834 HD12 ' HB2' ' A' ' 21' ' ' GLU . 75.1 mt -59.99 -58.05 8.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.816 0.341 . . . . 0.0 110.864 179.69 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.97 -15.85 62.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.107 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.416 ' HB3' ' O ' ' A' ' 81' ' ' PHE . . . -71.83 77.92 0.87 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.861 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 7.5 t -165.12 134.55 3.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.505 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 59.7 t 65.93 -80.45 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.057 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.969 179.845 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 80.4 t60 . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.754 0.311 . . . . 0.0 111.076 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.6 p -95.64 159.81 14.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.481 ' HG ' ' H ' ' A' ' 4' ' ' GLY . 61.7 p -71.03 -72.12 0.22 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.155 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.481 ' H ' ' HG ' ' A' ' 3' ' ' SER . . . 128.61 69.46 0.13 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.577 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -127.75 15.6 6.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.887 0.375 . . . . 0.0 111.08 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.7 mp -91.87 120.24 40.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.739 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.63 ' HA ' ' HB2' ' A' ' 11' ' ' LYS . 12.3 p-10 -90.18 32.27 0.94 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.761 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -120.29 -12.92 8.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.941 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -150.78 -24.11 0.22 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.523 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -98.27 -56.14 2.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.109 0.48 . . . . 0.0 111.438 -179.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.63 ' HB2' ' HA ' ' A' ' 7' ' ' ASP . 32.2 mmmt -89.39 -9.38 50.53 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.258 -179.626 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.9 p-80 -66.54 -15.44 63.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.09 0.471 . . . . 0.0 110.115 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.421 ' HE1' ' HB2' ' A' ' 13' ' ' MET . 3.6 ppp? -52.12 -19.13 1.76 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.918 -179.56 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.47 -33.61 74.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.829 0.347 . . . . 0.0 111.177 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -129.9 37.43 3.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.227 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.3 ptt-85 -84.95 12.77 6.91 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.86 0.362 . . . . 0.0 110.586 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -71.48 107.68 4.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.702 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 72.4 p -147.66 97.92 2.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.956 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -73.41 -14.04 61.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -72.28 -18.5 61.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.09 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -121.46 -51.3 2.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.276 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.514 ' HA ' ' HB3' ' A' ' 25' ' ' LEU . 66.4 mt -55.49 -15.34 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.745 -179.605 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -51.63 -66.0 2.82 Favored Glycine 0 C--N 1.332 0.331 0 C-N-CA 120.531 -0.842 . . . . 0.0 112.599 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -95.9 -13.43 49.96 Favored Glycine 0 N--CA 1.453 -0.183 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.22 179.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.632 ' HA ' ' HB3' ' A' ' 29' ' ' PHE . 10.5 tt -55.61 -10.82 0.75 Allowed 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 122.525 0.33 . . . . 0.0 111.731 -179.431 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.562 ' HB3' ' NZ ' ' A' ' 26' ' ' LYS . 8.5 mtpm? -89.03 -68.12 0.79 Allowed 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -179.157 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -89.64 -68.26 0.79 Allowed 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 114.409 1.263 . . . . 0.0 114.409 -177.339 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.478 ' O ' HG13 ' A' ' 32' ' ' ILE . 95.3 mt -69.4 -68.21 0.42 Allowed 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 114.48 1.289 . . . . 0.0 114.48 -176.239 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.632 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 13.7 t80 -36.89 -46.18 0.61 Allowed 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 -176.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.504 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 59.1 mtpt -62.66 -50.81 69.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.973 0.416 . . . . 0.0 111.02 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 54.3 ttp -64.69 -14.45 58.49 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.181 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.478 HG13 ' O ' ' A' ' 28' ' ' LEU . 67.3 mt -92.9 -59.01 3.25 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.314 0 CA-C-O 121.232 0.539 . . . . 0.0 110.459 -179.602 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.591 ' HA ' HG13 ' A' ' 40' ' ' ILE . 8.2 t0 -62.05 98.56 0.11 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.96 179.645 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 82.3 m -58.68 -10.24 2.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.437 0.637 . . . . 0.0 109.305 179.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.665 ' OD1' ' HB3' ' A' ' 37' ' ' SER . 10.5 t0 -108.78 -19.43 13.42 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.064 -0.971 . . . . 0.0 111.408 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 74.6 m-80 52.17 15.17 0.41 Allowed 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 120.806 -0.358 . . . . 0.0 111.095 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.665 ' HB3' ' OD1' ' A' ' 35' ' ' ASP . 98.2 p -74.42 -17.92 60.73 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-O 121.493 0.663 . . . . 0.0 109.412 179.651 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.523 ' HA2' ' HE2' ' A' ' 29' ' ' PHE . . . 111.63 4.69 26.44 Favored Glycine 0 N--CA 1.452 -0.282 0 CA-C-N 114.904 -1.043 . . . . 0.0 113.009 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 61.1 p -147.65 131.6 17.17 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.381 -0.229 . . . . 0.0 110.381 179.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.591 HG13 ' HA ' ' A' ' 33' ' ' ASP . 2.5 mp -104.38 133.35 48.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.828 0.347 . . . . 0.0 111.631 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.46 ' OG1' ' HG3' ' A' ' 44' ' ' GLU . 52.8 p -127.96 140.59 51.9 Favored 'General case' 0 C--O 1.218 -0.564 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 178.564 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -34.52 -49.13 0.39 Allowed 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 123.099 0.56 . . . . 0.0 112.177 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -56.39 -43.46 79.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.012 0.434 . . . . 0.0 110.518 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.46 ' HG3' ' OG1' ' A' ' 41' ' ' THR . 25.7 mt-10 -85.26 -20.08 30.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.05 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.559 HD23 ' HB2' ' A' ' 65' ' ' MET . 55.3 tp -67.41 -65.23 0.71 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.665 -178.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.538 ' HZ3' ' HD2' ' A' ' 50' ' ' LYS . 14.7 ptmm? -56.55 -33.32 66.01 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.349 -179.327 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.674 ' HA ' ' HG2' ' A' ' 50' ' ' LYS . 50.2 t0 -58.45 -15.5 11.15 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.041 0.448 . . . . 0.0 110.903 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -91.29 -39.38 5.69 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.973 -0.632 . . . . 0.0 112.101 -179.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.78 ' HB3' HD13 ' A' ' 56' ' ' LEU . 91.5 mt -90.46 -13.45 34.78 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.879 0.371 . . . . 0.0 110.529 179.64 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.674 ' HG2' ' HA ' ' A' ' 47' ' ' ASP . 19.9 ptmt -86.51 -43.33 12.83 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.072 179.686 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.498 ' HA ' ' NE ' ' A' ' 51' ' ' ARG . 6.2 tpm_? -61.09 -15.69 35.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.191 179.407 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.412 ' O ' HG13 ' A' ' 52' ' ' VAL . 94.0 t -77.53 -31.67 17.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.036 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 52.45 48.2 55.29 Favored Glycine 0 C--N 1.33 0.237 0 C-N-CA 120.99 -0.624 . . . . 0.0 112.912 179.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 42.7 p -93.24 -96.85 0.14 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.718 0.259 . . . . 0.0 110.944 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -144.93 22.31 1.58 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.997 0.427 . . . . 0.0 110.662 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.78 HD13 ' HB3' ' A' ' 49' ' ' LEU . 93.1 mt -91.64 147.93 22.64 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 121.366 0.603 . . . . 0.0 112.027 -179.55 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.442 ' C ' ' H ' ' A' ' 59' ' ' SER . 50.6 ttm -111.89 137.07 50.37 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.001 -1.0 . . . . 0.0 109.477 179.023 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -53.29 -10.5 0.22 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.734 -179.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.442 ' H ' ' C ' ' A' ' 57' ' ' MET . 80.9 p -76.47 -31.41 57.76 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.345 -179.344 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.414 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 50.3 mt-10 -74.83 -23.69 58.49 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.693 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.538 HG23 HD22 ' A' ' 45' ' ' LEU . 37.9 mm -64.16 -20.27 26.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.968 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.62 ' HB3' ' NZ ' ' A' ' 62' ' ' LYS . 0.1 OUTLIER -73.2 -65.12 0.85 Allowed 'General case' 0 CA--C 1.513 -0.474 0 CA-C-N 116.152 -0.477 . . . . 0.0 109.765 179.479 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -57.31 -17.19 11.01 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 178.076 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.414 ' HB2' ' O ' ' A' ' 60' ' ' GLU . 36.4 tp -81.0 -42.82 20.56 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.019 -0.991 . . . . 0.0 110.794 179.633 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.559 ' HB2' HD23 ' A' ' 45' ' ' LEU . 11.7 tmm? -88.28 -60.65 1.91 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.157 -179.552 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -44.42 -27.83 0.49 Allowed 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.102 -0.499 . . . . 0.0 112.086 -179.245 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -89.17 -44.47 10.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.681 0.277 . . . . 0.0 111.554 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.87 -28.17 69.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.409 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.634 ' HB2' ' HB ' ' A' ' 76' ' ' ILE . 8.1 t70 -126.39 96.75 4.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.21 0.528 . . . . 0.0 110.864 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.492 ' O ' ' HG3' ' A' ' 72' ' ' LYS . 64.4 mt -84.09 -10.32 11.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.606 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.558 ' HB2' HG23 ' A' ' 85' ' ' THR . 39.0 t70 -58.81 -9.11 1.59 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.005 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.492 ' HG3' ' O ' ' A' ' 70' ' ' ILE . 41.4 mttp 66.66 0.67 1.92 Allowed 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.944 179.723 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.411 ' H ' ' C ' ' A' ' 71' ' ' ASP . 79.8 p -80.03 -8.19 59.24 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.222 -179.617 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 78.24 -8.46 39.14 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.644 -0.789 . . . . 0.0 111.877 -179.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 69.3 m -116.52 127.53 54.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.643 0.259 . . . . 0.0 110.407 179.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.634 ' HB ' ' HB2' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -97.72 135.62 31.53 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 CA-C-O 121.305 0.574 . . . . 0.0 111.639 -179.889 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.565 ' HB3' ' HG3' ' A' ' 80' ' ' GLU . 9.7 t70 -109.77 159.73 16.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 114.848 -1.069 . . . . 0.0 109.825 179.215 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.476 ' O ' HG22 ' A' ' 82' ' ' ILE . 34.2 m-85 -45.89 -50.62 14.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.802 0.334 . . . . 0.0 111.806 -179.357 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -72.62 -14.57 77.73 Favored Glycine 0 C--N 1.331 0.258 0 CA-C-N 115.944 -0.571 . . . . 0.0 114.098 -178.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.565 ' HG3' ' HB3' ' A' ' 77' ' ' ASP . 93.1 mt-10 -81.81 -53.12 6.44 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.034 0.445 . . . . 0.0 110.726 -179.678 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.465 ' HB2' HD11 ' A' ' 76' ' ' ILE . 32.5 t80 -59.41 -30.31 68.37 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.8 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.476 HG22 ' O ' ' A' ' 78' ' ' TYR . 12.5 tt -89.44 -58.24 3.64 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -178.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.45 ' N ' HG21 ' A' ' 82' ' ' ILE . . . -86.22 -67.11 0.83 Allowed 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 111.809 0.3 . . . . 0.0 111.809 -179.17 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -175.45 -72.6 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.301 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.581 HG21 HG13 ' A' ' 86' ' ' VAL . 93.0 m -140.13 -83.21 0.24 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.982 -179.669 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.581 HG13 HG21 ' A' ' 85' ' ' THR . 34.1 m -131.89 -179.65 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.256 -179.763 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.213 -0.899 . . . . 0.0 111.048 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 7.4 p80 . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.84 0.353 . . . . 0.0 111.237 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.8 p -82.19 10.58 6.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.81 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.2 p -77.03 126.93 31.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.025 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.95 -12.22 52.74 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.511 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 18.4 m80 -111.39 -37.67 5.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.709 0.29 . . . . 0.0 110.913 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 46.0 mt -105.02 66.48 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.078 0.465 . . . . 0.0 110.768 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -148.03 -155.96 0.68 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.759 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -83.19 51.98 2.09 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.013 0.435 . . . . 0.0 110.675 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.494 ' HB2' ' HD2' ' A' ' 11' ' ' LYS . 2.0 p30 -102.61 175.61 5.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.068 -179.75 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -98.96 -13.98 19.71 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 113.369 0.877 . . . . 0.0 113.369 -178.426 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.657 ' H ' ' HD2' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -79.81 -33.68 40.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.04 0.448 . . . . 0.0 111.116 -179.204 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.536 ' HA ' ' HB3' ' A' ' 15' ' ' GLU . 19.0 t-160 -73.41 -34.56 65.55 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.009 179.728 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 15.7 tpt -62.15 -29.49 70.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.696 179.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -96.46 -13.24 23.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.403 179.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.536 ' HB3' ' HA ' ' A' ' 12' ' ' HIS . 14.9 tt0 -84.79 -24.04 28.89 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.714 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.498 HH12 HD11 ' A' ' 17' ' ' LEU . 6.9 ptm180 -82.35 -59.06 2.67 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.924 179.727 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.498 HD11 HH12 ' A' ' 16' ' ' ARG . 82.8 mt -107.34 146.19 31.89 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.727 0.299 . . . . 0.0 110.746 179.165 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 48.0 t -103.09 86.96 2.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.061 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.8 pm0 -85.37 -7.58 58.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.736 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -48.27 -28.82 3.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.044 -179.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -134.58 -77.01 0.46 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.74 0.305 . . . . 0.0 111.643 -179.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 37.6 pt -56.51 -12.87 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.86 -179.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -50.28 -65.19 3.08 Favored Glycine 0 C--N 1.331 0.264 0 C-N-CA 120.936 -0.65 . . . . 0.0 112.971 -179.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -93.83 -5.58 62.7 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.637 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.607 ' HA ' ' HB3' ' A' ' 29' ' ' PHE . 3.3 tm? -44.31 -26.14 0.3 Allowed 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 122.44 0.296 . . . . 0.0 111.437 -179.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.428 ' O ' ' HG2' ' A' ' 30' ' ' LYS . 28.0 tptp -85.45 -67.98 0.76 Allowed 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 -179.041 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.473 ' O ' ' HB2' ' A' ' 31' ' ' MET . 48.6 mt-10 -89.92 -68.39 0.78 Allowed 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 114.141 1.163 . . . . 0.0 114.141 -177.608 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -60.15 -68.33 0.3 Allowed 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 113.029 0.751 . . . . 0.0 113.029 -176.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.607 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 12.6 t80 -45.25 -45.43 11.92 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -177.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.501 ' HG3' ' N ' ' A' ' 31' ' ' MET . 0.1 OUTLIER -66.75 -43.22 84.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.941 0.4 . . . . 0.0 110.681 -179.397 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.592 ' HA ' ' HE1' ' A' ' 31' ' ' MET . 0.0 OUTLIER -63.3 -16.2 59.6 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.798 -179.635 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 48.1 mm -92.75 -45.85 14.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.568 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.546 ' HA ' HG13 ' A' ' 40' ' ' ILE . 57.5 t0 -66.09 117.09 7.92 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.554 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 63.5 m -65.7 -10.45 36.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.401 0.619 . . . . 0.0 109.352 179.181 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 37' ' ' SER . 59.0 m-20 -111.92 -10.14 13.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.394 179.752 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 11.4 p-10 40.91 26.98 0.03 OUTLIER 'General case' 0 C--O 1.231 0.129 0 CA-C-O 121.069 0.461 . . . . 0.0 110.39 -179.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.418 ' N ' ' O ' ' A' ' 35' ' ' ASP . 77.2 p -86.27 -16.68 36.83 Favored 'General case' 0 CA--C 1.513 -0.466 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 179.467 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 109.21 13.36 17.75 Favored Glycine 0 N--CA 1.45 -0.39 0 CA-C-N 114.587 -1.188 . . . . 0.0 112.463 179.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.521 ' HB ' HG22 ' A' ' 75' ' ' THR . 43.6 p -147.62 131.47 17.07 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.675 0.274 . . . . 0.0 110.336 179.632 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.546 HG13 ' HA ' ' A' ' 33' ' ' ASP . 2.0 mp -108.02 146.75 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.874 0.368 . . . . 0.0 111.13 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.486 ' O ' ' N ' ' A' ' 45' ' ' LEU . 11.7 m -132.99 159.9 38.66 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.767 178.788 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -34.99 -60.64 0.45 Allowed 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 123.465 0.706 . . . . 0.0 112.505 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -52.29 -39.52 60.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.938 0.399 . . . . 0.0 111.08 -179.351 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -88.21 -14.19 39.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.096 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.521 HD21 HG21 ' A' ' 61' ' ' ILE . 48.6 tp -71.61 -58.98 3.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.299 -179.225 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.521 ' HB3' HG23 ' A' ' 61' ' ' ILE . 21.7 ptmt -56.53 -28.05 59.06 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.307 -179.371 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.681 ' HA ' ' HB3' ' A' ' 50' ' ' LYS . 36.0 t70 -52.3 -16.91 0.95 Allowed 'General case' 0 C--N 1.332 -0.185 0 O-C-N 123.212 0.32 . . . . 0.0 111.175 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -69.75 -52.55 19.63 Favored Glycine 0 N--CA 1.45 -0.412 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.114 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.409 ' O ' HG13 ' A' ' 52' ' ' VAL . 90.1 mt -90.25 -12.34 38.22 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 178.639 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.681 ' HB3' ' HA ' ' A' ' 47' ' ' ASP . 23.4 tptm -82.9 -25.48 32.42 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.487 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.414 HH11 ' HG3' ' A' ' 51' ' ' ARG . 39.0 ttt85 -73.1 -23.71 60.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.839 179.356 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.452 HG22 ' OG ' ' A' ' 54' ' ' SER . 12.3 p -98.85 -29.22 3.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.945 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.445 ' N ' HG13 ' A' ' 52' ' ' VAL . . . 53.84 48.81 60.79 Favored Glycine 0 C--N 1.332 0.358 0 C-N-CA 121.009 -0.615 . . . . 0.0 113.154 179.153 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.452 ' OG ' HG22 ' A' ' 52' ' ' VAL . 71.2 m -97.58 -104.98 0.18 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.757 0.278 . . . . 0.0 111.032 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -120.71 74.74 1.08 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.927 0.394 . . . . 0.0 110.735 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.584 HD22 ' N ' ' A' ' 56' ' ' LEU . 0.9 OUTLIER -108.73 166.26 10.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.294 179.804 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.419 ' C ' ' H ' ' A' ' 59' ' ' SER . 84.8 mmm -126.28 110.35 13.3 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.043 179.053 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -55.09 -15.25 2.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.557 0.694 . . . . 0.0 109.451 179.14 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.419 ' H ' ' C ' ' A' ' 57' ' ' MET . 78.5 p -87.86 -39.22 15.0 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 114.66 -1.155 . . . . 0.0 110.992 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 43.4 tp10 -66.19 -32.66 74.23 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.183 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.521 HG21 HD21 ' A' ' 45' ' ' LEU . 43.3 mm -55.52 -23.74 14.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.689 179.673 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.437 ' C ' ' N ' ' A' ' 64' ' ' LEU . 12.5 mmmm -73.24 -63.17 1.24 Allowed 'General case' 0 CA--C 1.513 -0.478 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 178.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.603 ' HA ' ' HB3' ' A' ' 67' ' ' ALA . 37.4 t70 -55.93 -16.9 5.35 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 177.369 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.437 ' N ' ' C ' ' A' ' 62' ' ' LYS . 33.5 tp -87.46 -32.94 19.22 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 114.668 -1.151 . . . . 0.0 110.643 179.549 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 9.0 tmm? -88.7 -69.58 0.7 Allowed 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 -178.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -70.67 -54.8 10.5 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -178.198 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.603 ' HB3' ' HA ' ' A' ' 63' ' ' ASP . . . -50.7 -45.6 58.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.604 0.24 . . . . 0.0 111.583 -179.28 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.18 -62.22 1.67 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.871 0.367 . . . . 0.0 110.719 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.508 ' HA ' ' HB3' ' A' ' 80' ' ' GLU . 7.5 t70 -66.96 104.84 1.47 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.616 179.423 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.404 HG21 ' HB3' ' A' ' 83' ' ' ALA . 9.8 tp -83.52 -16.75 11.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.891 -179.499 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -63.19 -5.83 3.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.352 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 41.26 26.71 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.423 -179.693 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.401 ' C ' ' H ' ' A' ' 75' ' ' THR . 79.1 p -87.73 2.09 52.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.876 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 77.17 -11.61 15.66 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.687 -0.768 . . . . 0.0 111.799 -179.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.521 HG22 ' HB ' ' A' ' 39' ' ' THR . 69.8 m -117.66 134.33 55.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.685 0.279 . . . . 0.0 110.375 179.692 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.449 HG21 ' HB ' ' A' ' 40' ' ' ILE . 15.0 tt -99.03 131.05 47.0 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 CA-C-O 121.11 0.481 . . . . 0.0 111.211 -179.769 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -117.98 157.93 25.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.028 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -52.57 -26.31 12.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.782 0.325 . . . . 0.0 111.012 -179.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -77.77 -30.97 51.03 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.936 -0.65 . . . . 0.0 112.753 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.508 ' HB3' ' HA ' ' A' ' 69' ' ' ASP . 67.1 mm-40 -56.83 -47.77 79.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.65 0.262 . . . . 0.0 110.671 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.433 ' CZ ' HD11 ' A' ' 76' ' ' ILE . 31.1 m-85 -43.4 -41.41 4.18 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.723 179.447 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 47.6 mm -77.77 -38.59 25.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.197 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.404 ' HB3' HG21 ' A' ' 70' ' ' ILE . . . -58.17 -24.42 58.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.242 -179.777 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -104.0 101.09 10.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.083 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 68.6 p -116.85 159.97 21.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.825 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 35.8 m -87.11 150.66 3.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.199 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.31 -0.852 . . . . 0.0 111.043 179.888 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.719 0.295 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.9 t -72.23 141.89 48.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.815 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.5 t -125.24 48.33 2.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.72 -43.68 0.35 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.515 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 15.2 m80 -112.76 67.98 0.67 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.811 0.338 . . . . 0.0 110.912 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.469 HG21 HD12 ' A' ' 6' ' ' ILE . 3.1 tt -97.4 106.77 19.01 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.511 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.032 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -78.25 69.39 4.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.486 -179.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -132.23 -80.38 0.5 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.867 179.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.715 ' HB3' ' HE3' ' A' ' 13' ' ' MET . 1.9 m-20 -140.65 6.23 2.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.856 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.405 ' O ' ' HB2' ' A' ' 14' ' ' ALA . 34.1 t0 -94.17 -63.33 1.2 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.1 0.476 . . . . 0.0 111.775 -179.002 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.513 ' HD3' ' N ' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -86.23 -33.64 20.68 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.805 -178.619 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.513 ' N ' ' HD3' ' A' ' 11' ' ' LYS . 3.4 m-70 -75.83 -29.17 58.54 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.531 -179.336 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.715 ' HE3' ' HB3' ' A' ' 9' ' ' ASP . 51.7 ttm -87.51 -34.92 18.46 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.583 -179.514 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.405 ' HB2' ' O ' ' A' ' 10' ' ' ASP . . . -87.17 -3.07 59.04 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 -179.06 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.864 ' HG3' ' HG2' ' A' ' 16' ' ' ARG . 23.8 pt-20 -85.68 -40.56 16.03 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.856 0.36 . . . . 0.0 111.075 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.864 ' HG2' ' HG3' ' A' ' 15' ' ' GLU . 15.0 ptm180 -144.82 -115.8 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.518 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.48 HD22 ' N ' ' A' ' 18' ' ' SER . 7.6 tt -60.99 146.37 47.27 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.98 0.419 . . . . 0.0 111.266 -179.288 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.48 ' N ' HD22 ' A' ' 17' ' ' LEU . 75.3 p -135.94 107.41 6.9 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.264 179.56 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -84.89 -9.23 58.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 112.147 -178.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.648 ' HG2' HD23 ' A' ' 25' ' ' LEU . 41.7 tt0 -77.99 -62.81 1.55 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.722 0.296 . . . . 0.0 111.056 -179.597 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.511 ' HA ' ' HB2' ' A' ' 25' ' ' LEU . 8.9 mp0 -59.52 -27.93 66.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.665 -179.675 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.504 ' O ' HG21 ' A' ' 22' ' ' ILE . 55.6 mt -95.56 -15.82 7.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.819 -179.181 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -94.83 -65.57 1.0 Allowed Glycine 0 CA--C 1.519 0.285 0 C-N-CA 120.147 -1.025 . . . . 0.0 114.124 -178.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -95.49 -41.12 4.0 Favored Glycine 0 CA--C 1.518 0.228 0 C-N-CA 120.618 -0.801 . . . . 0.0 113.995 -178.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.648 HD23 ' HG2' ' A' ' 20' ' ' GLU . 4.5 mm? -47.28 -13.98 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -178.643 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -90.2 -69.65 0.71 Allowed 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.803 -0.359 . . . . 0.0 111.927 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.74 ' HG3' ' H ' ' A' ' 28' ' ' LEU . 7.4 pt-20 -91.64 -67.52 0.85 Allowed 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 113.356 0.873 . . . . 0.0 113.356 -179.144 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.74 ' H ' ' HG3' ' A' ' 27' ' ' GLU . 58.1 tp -46.09 -45.78 16.54 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 113.361 0.874 . . . . 0.0 113.361 -177.57 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.518 ' CZ ' ' HB2' ' A' ' 78' ' ' TYR . 2.4 m-85 -76.52 -65.6 0.91 Allowed 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -178.264 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.541 ' HA ' ' OD1' ' A' ' 36' ' ' ASN . 14.1 mmmm -43.47 -33.13 1.02 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.463 -179.193 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.418 ' SD ' HD12 ' A' ' 32' ' ' ILE . 1.6 tmt? -90.56 -35.06 15.26 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -179.385 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.55 ' HB ' ' O ' ' A' ' 28' ' ' LEU . 24.0 mm -94.92 -65.6 1.11 Allowed 'Isoleucine or valine' 0 CA--C 1.511 -0.542 0 CA-C-O 121.263 0.554 . . . . 0.0 110.788 -179.781 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.454 ' C ' ' H ' ' A' ' 35' ' ' ASP . 31.2 t70 -53.2 94.76 0.01 OUTLIER 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.048 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.432 ' O ' HG21 ' A' ' 34' ' ' THR . 65.3 m -58.76 -10.37 2.32 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.557 0.694 . . . . 0.0 109.246 179.622 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.528 ' OD1' ' HB3' ' A' ' 37' ' ' SER . 10.4 t0 -95.86 -24.9 16.23 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.882 179.733 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.541 ' OD1' ' HA ' ' A' ' 30' ' ' LYS . 51.5 m-20 49.85 20.95 0.61 Allowed 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.602 -179.645 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.528 ' HB3' ' OD1' ' A' ' 35' ' ' ASP . 79.1 p -88.53 -19.53 26.26 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 121.154 0.502 . . . . 0.0 110.314 -179.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.639 ' HA2' HD13 ' A' ' 25' ' ' LEU . . . 111.53 5.16 26.33 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.46 -0.876 . . . . 0.0 113.058 179.66 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 76.0 p -142.82 130.64 21.57 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 179.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.589 HG23 ' N ' ' A' ' 41' ' ' THR . 2.0 mp -104.97 139.79 24.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.946 0.403 . . . . 0.0 111.649 -179.516 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.614 ' HG1' ' HG2' ' A' ' 44' ' ' GLU . 67.2 p -129.08 144.02 51.06 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.958 178.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.704 ' HB2' ' HG3' ' A' ' 65' ' ' MET . 17.4 t80 -34.74 -47.88 0.36 Allowed 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -179.516 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -50.61 -48.72 57.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.9 0.381 . . . . 0.0 110.877 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.614 ' HG2' ' HG1' ' A' ' 41' ' ' THR . 9.7 pt-20 -89.43 -16.08 31.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.566 -179.739 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.489 HD11 HG21 ' A' ' 40' ' ' ILE . 44.2 tp -62.56 -45.27 93.71 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.764 0.316 . . . . 0.0 110.925 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.739 ' HA ' HG22 ' A' ' 61' ' ' ILE . 52.7 mtmt -47.27 -53.77 12.59 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.967 -179.672 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.611 ' HA ' ' HB3' ' A' ' 50' ' ' LYS . 28.9 m-20 -42.17 -23.57 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.331 0 O-C-N 123.352 0.408 . . . . 0.0 112.067 -179.306 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.2 -55.99 18.29 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.615 -0.802 . . . . 0.0 111.615 179.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -90.42 -12.4 37.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.116 0.484 . . . . 0.0 110.13 179.181 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.611 ' HB3' ' HA ' ' A' ' 47' ' ' ASP . 4.3 tmmm? -68.6 -46.3 69.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.65 -179.773 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.6 ' HG2' ' O ' ' A' ' 47' ' ' ASP . 36.3 mmt180 -41.54 -42.05 2.3 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.969 -179.602 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.468 HG23 ' N ' ' A' ' 53' ' ' GLY . 35.9 m -89.86 -31.62 5.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 111.618 0.229 . . . . 0.0 111.618 -179.731 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.468 ' N ' HG23 ' A' ' 52' ' ' VAL . . . 38.76 48.41 2.44 Favored Glycine 0 C--N 1.335 0.514 0 C-N-CA 121.201 -0.523 . . . . 0.0 113.015 179.667 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 48.0 t -65.9 -91.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.747 0.308 . . . . 0.0 111.153 -179.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.469 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 39.0 tp10 -136.96 17.84 3.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.158 0.504 . . . . 0.0 110.208 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.524 ' N ' HD12 ' A' ' 56' ' ' LEU . 5.7 mp -81.53 124.84 29.83 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.521 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 16.0 tpt -79.88 151.34 30.23 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.263 -0.88 . . . . 0.0 109.597 179.098 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.436 ' OE1' ' N ' ' A' ' 58' ' ' GLU . 0.4 OUTLIER -56.8 -10.43 1.05 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.587 -179.641 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 49.1 m -78.16 -22.77 48.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.858 0.361 . . . . 0.0 111.075 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.469 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 16.8 tp10 -78.06 -16.71 57.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.916 179.729 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.739 HG22 ' HA ' ' A' ' 46' ' ' LYS . 26.3 mm -90.59 -46.12 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.761 -179.428 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.626 ' HD3' ' N ' ' A' ' 63' ' ' ASP . 0.0 OUTLIER -77.23 -44.71 29.0 Favored 'General case' 0 C--N 1.333 -0.116 0 N-CA-C 111.711 0.263 . . . . 0.0 111.711 -178.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.626 ' N ' ' HD3' ' A' ' 62' ' ' LYS . 33.9 t70 -62.84 -28.66 70.17 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-O 121.045 0.45 . . . . 0.0 110.283 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.53 ' N ' HD21 ' A' ' 64' ' ' LEU . 4.5 mm? -87.19 -25.62 23.96 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.779 179.568 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.704 ' HG3' ' HB2' ' A' ' 42' ' ' PHE . 14.7 tmm? -67.66 -46.4 72.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.533 179.498 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -79.37 -21.24 46.03 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.184 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -82.01 -27.41 33.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.324 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -77.05 -56.25 4.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.171 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.4 ' HB2' ' HB ' ' A' ' 76' ' ' ILE . 25.1 t70 -86.31 111.54 20.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.049 0.452 . . . . 0.0 110.795 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.5 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 9.4 tp -83.64 -19.25 9.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.275 -179.554 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -62.53 -5.55 2.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.193 -179.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' A' ' 70' ' ' ILE . 33.8 mmtp 46.87 31.23 1.41 Allowed 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.568 179.302 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 77.8 p -100.74 3.12 41.97 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.176 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 78.99 -15.98 9.47 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.306 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 80.7 p -113.62 128.18 56.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.651 0.262 . . . . 0.0 110.54 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.478 ' CG2' ' HB ' ' A' ' 40' ' ' ILE . 9.7 tt -99.98 140.04 20.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.316 0 CA-C-O 120.884 0.374 . . . . 0.0 111.346 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -115.0 152.91 31.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.681 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.577 ' HB3' ' HG3' ' A' ' 20' ' ' GLU . 31.6 t80 -54.05 -35.97 62.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.39 -179.683 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -70.31 -25.04 76.23 Favored Glycine 0 CA--C 1.519 0.296 0 C-N-CA 120.954 -0.641 . . . . 0.0 113.54 -179.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -88.45 -46.47 9.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 117.005 0.403 . . . . 0.0 111.147 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.418 ' HB2' HD12 ' A' ' 76' ' ' ILE . 28.5 t80 -46.69 -38.88 10.48 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.442 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 72.2 mt -65.44 -41.87 92.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.238 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.05 -26.87 50.99 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.217 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -82.7 -52.88 6.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.148 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 79.4 p -105.4 110.92 23.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.854 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 7.9 p -143.03 -32.06 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.195 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 16.1 m80 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.152 -0.927 . . . . 0.0 110.928 -179.916 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.578 ' HA ' ' HB3' ' A' ' 29' ' ' PHE . 58.3 tp . . . . . 0 N--CA 1.463 0.193 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.46 ' O ' ' HD3' ' A' ' 30' ' ' LYS . 54.8 mtmt -90.75 -65.94 0.97 Allowed 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -178.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -88.8 -68.38 0.77 Allowed 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 -177.222 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.43 ' O ' HG13 ' A' ' 32' ' ' ILE . 93.5 mt -66.02 -68.13 0.39 Allowed 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 113.809 1.041 . . . . 0.0 113.809 -176.855 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.578 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 3.4 t80 -37.93 -50.16 1.28 Allowed 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -177.624 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.517 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 29.1 mtpp -62.76 -45.68 91.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.927 0.394 . . . . 0.0 110.928 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 52.6 ttm -64.48 -15.21 60.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.361 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.43 HG13 ' O ' ' A' ' 28' ' ' LEU . 66.1 mt -92.74 -47.79 13.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.06 0.457 . . . . 0.0 110.725 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.636 ' HA ' HG12 ' A' ' 40' ' ' ILE . 57.6 t0 -64.78 112.17 3.12 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.584 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 64.6 m -61.82 -10.53 9.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.41 0.624 . . . . 0.0 109.382 179.18 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.501 ' OD1' ' HB3' ' A' ' 37' ' ' SER . 10.1 t0 -96.65 -24.95 15.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.705 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 55.89 18.8 3.2 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-O 120.863 0.363 . . . . 0.0 110.238 -179.519 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.501 ' HB3' ' OD1' ' A' ' 35' ' ' ASP . 79.9 p -88.73 -20.35 24.91 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-O 121.153 0.501 . . . . 0.0 110.106 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 111.39 12.98 13.88 Favored Glycine 0 N--CA 1.451 -0.317 0 CA-C-N 115.437 -0.802 . . . . 0.0 112.593 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.579 ' HB ' HG21 ' A' ' 75' ' ' THR . 63.9 p -150.91 130.72 13.23 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 179.415 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.636 HG12 ' HA ' ' A' ' 33' ' ' ASP . 89.8 mt -105.62 139.99 25.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.775 0.322 . . . . 0.0 111.11 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.416 ' O ' ' N ' ' A' ' 44' ' ' GLU . 82.3 p -129.28 143.11 50.72 Favored 'General case' 0 C--O 1.221 -0.406 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.069 179.211 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.737 ' HB2' ' HG2' ' A' ' 65' ' ' MET . 21.8 t80 -35.55 -53.51 0.68 Allowed 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 123.05 0.54 . . . . 0.0 112.239 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -47.09 -40.22 14.79 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.149 0.499 . . . . 0.0 110.414 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.497 ' OE2' ' HB2' ' A' ' 35' ' ' ASP . 41.0 mt-10 -87.13 -30.88 20.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.766 179.54 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.554 HD22 ' SD ' ' A' ' 65' ' ' MET . 56.1 tp -51.94 -57.12 10.37 Favored 'General case' 0 N--CA 1.457 -0.105 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.123 -179.428 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.499 ' CA ' HG21 ' A' ' 61' ' ' ILE . 8.4 ptpp? -51.55 -42.77 62.06 Favored 'General case' 0 C--O 1.225 -0.219 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.421 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -49.62 -16.75 0.25 Allowed 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.423 ' O ' HG23 ' A' ' 52' ' ' VAL . . . -74.16 -57.9 4.56 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.086 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.502 HD22 ' N ' ' A' ' 49' ' ' LEU . 3.1 mm? -87.62 -12.84 44.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.897 0.38 . . . . 0.0 110.499 179.55 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.417 ' HD3' ' OE2' ' A' ' 58' ' ' GLU . 22.9 tptm -70.36 -53.79 15.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.525 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 39.1 ttm180 -59.95 -17.73 40.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.564 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 48' ' ' GLY . 62.4 t -70.04 -31.74 48.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.813 179.694 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 44.45 48.36 8.62 Favored Glycine 0 C--N 1.332 0.348 0 CA-C-N 116.021 -0.536 . . . . 0.0 113.194 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 37.9 t -91.28 -95.63 0.12 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.696 0.284 . . . . 0.0 110.836 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.95 23.67 1.08 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.954 0.406 . . . . 0.0 110.356 179.638 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 71.0 mt -90.9 160.05 15.9 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.772 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 20.0 ptm -117.18 125.93 51.98 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.168 179.167 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.495 ' HA ' HG12 ' A' ' 61' ' ' ILE . 4.9 mm-40 -54.56 -9.6 0.33 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.62 -179.64 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.473 ' O ' ' HG3' ' A' ' 62' ' ' LYS . 53.5 m -69.8 -26.82 64.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.829 -179.66 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.461 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 51.1 mt-10 -83.86 -21.32 32.04 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.278 179.711 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.499 HG21 ' CA ' ' A' ' 46' ' ' LYS . 39.8 mm -66.98 -30.43 49.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.008 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.699 ' HB2' ' NZ ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -85.29 -36.33 20.92 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.696 179.906 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.549 ' N ' ' HD3' ' A' ' 62' ' ' LYS . 58.8 m-20 -73.91 -23.24 59.52 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.181 0.515 . . . . 0.0 109.722 178.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.56 ' O ' HD23 ' A' ' 64' ' ' LEU . 4.9 tt -87.12 -39.14 15.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.615 179.475 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.737 ' HG2' ' HB2' ' A' ' 42' ' ' PHE . 14.6 tpt -63.2 -45.11 93.26 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.946 179.523 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -65.79 -42.6 90.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.13 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.78 -30.75 67.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.278 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.73 -62.63 1.32 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.111 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -88.96 98.48 11.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.122 0.486 . . . . 0.0 110.413 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.516 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 14.3 tt -83.94 -14.79 11.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.846 -179.631 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.502 ' OD2' ' HB3' ' A' ' 73' ' ' SER . 36.6 t70 -64.17 -5.81 5.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.6 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.516 ' HG2' ' O ' ' A' ' 70' ' ' ILE . 31.0 mmmt 44.25 29.05 0.33 Allowed 'General case' 0 C--O 1.232 0.151 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.558 179.433 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.502 ' HB3' ' OD2' ' A' ' 71' ' ' ASP . 84.5 p -85.11 -3.67 58.88 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.717 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 85.02 -11.69 59.66 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.718 -0.753 . . . . 0.0 111.675 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.579 HG21 ' HB ' ' A' ' 39' ' ' THR . 86.3 m -129.62 127.82 41.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.788 0.328 . . . . 0.0 110.367 179.712 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.534 HG23 ' HB ' ' A' ' 40' ' ' ILE . 9.1 tt -90.3 140.25 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.734 -179.542 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.844 ' HB2' ' HG2' ' A' ' 80' ' ' GLU . 54.1 m-20 -121.87 163.27 19.51 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.002 179.111 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 19.0 t80 -61.26 -30.03 70.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.846 0.355 . . . . 0.0 110.784 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -84.25 -14.09 72.41 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 121.029 -0.605 . . . . 0.0 112.772 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.844 ' HG2' ' HB2' ' A' ' 77' ' ' ASP . 3.9 mm-40 -86.18 -31.07 21.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.91 0.386 . . . . 0.0 110.867 -179.411 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -79.56 -37.52 36.24 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.2 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.485 ' C ' HD12 ' A' ' 82' ' ' ILE . 2.7 pp . . . . . 0 C--N 1.331 -0.229 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.516 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.625 ' HG ' ' H ' ' A' ' 29' ' ' PHE . 26.8 tp . . . . . 0 N--CA 1.464 0.249 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.453 ' NZ ' ' HB3' ' A' ' 26' ' ' LYS . 0.2 OUTLIER -38.93 -29.83 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 -178.756 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -60.46 -55.83 28.78 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.728 0.299 . . . . 0.0 111.078 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.501 ' N ' HD12 ' A' ' 28' ' ' LEU . 6.3 mp -89.58 -57.75 2.77 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -179.438 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.625 ' H ' ' HG ' ' A' ' 25' ' ' LEU . 11.5 t80 -39.57 -41.18 0.98 Allowed 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -178.567 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.401 ' CG ' ' N ' ' A' ' 31' ' ' MET . 14.9 pttp -69.9 -43.15 72.32 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.148 0.499 . . . . 0.0 110.886 -179.207 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.401 ' N ' ' CG ' ' A' ' 30' ' ' LYS . 56.1 ttp -68.27 -21.13 64.82 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.644 -179.05 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.825 HG23 HD11 ' A' ' 40' ' ' ILE . 11.3 tp -93.26 -25.95 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.134 0.493 . . . . 0.0 110.256 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -71.81 118.33 14.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.339 179.651 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.678 ' HB ' ' HB2' ' A' ' 44' ' ' GLU . 91.2 m -57.78 -15.18 7.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.001 0.429 . . . . 0.0 110.34 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.407 ' HB2' ' OE1' ' A' ' 44' ' ' GLU . 55.0 t0 -104.49 -22.63 13.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.049 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 46.1 t30 55.7 15.94 1.78 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.066 0.46 . . . . 0.0 109.942 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 79.3 p -83.5 -18.61 37.89 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.059 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 111.25 10.38 20.26 Favored Glycine 0 N--CA 1.453 -0.227 0 CA-C-N 115.43 -0.805 . . . . 0.0 112.588 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 67.6 p -146.65 131.96 18.52 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.825 HD11 HG23 ' A' ' 32' ' ' ILE . 29.5 mt -104.92 131.67 53.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.846 0.355 . . . . 0.0 111.584 -179.564 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.748 HG22 ' HB ' ' A' ' 75' ' ' THR . 63.0 p -111.74 161.91 15.79 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.035 179.243 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.826 ' HB2' ' HG3' ' A' ' 65' ' ' MET . 15.9 t80 -64.92 -35.56 81.54 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.302 179.452 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -58.74 -45.5 89.52 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.874 179.491 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.678 ' HB2' ' HB ' ' A' ' 34' ' ' THR . 23.6 pt-20 -89.69 -17.74 27.77 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.673 179.528 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.648 HD23 ' HB2' ' A' ' 65' ' ' MET . 49.2 tp -61.44 -53.55 55.0 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.393 -179.222 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.452 ' HG3' ' N ' ' A' ' 47' ' ' ASP . 13.5 ptmm? -48.22 -52.69 19.88 Favored 'General case' 0 C--O 1.225 -0.21 0 CA-C-N 115.724 -0.671 . . . . 0.0 112.048 -179.303 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.452 ' N ' ' HG3' ' A' ' 46' ' ' LYS . 33.1 t70 -49.82 -16.04 0.23 Allowed 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -179.511 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -74.24 -54.78 6.03 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.001 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.578 ' HB3' HD22 ' A' ' 56' ' ' LEU . 2.9 mm? -89.73 -14.46 34.62 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.964 0.411 . . . . 0.0 110.125 179.395 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.432 ' HD3' ' NZ ' ' A' ' 46' ' ' LYS . 63.9 tttp -86.32 -23.29 26.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.137 -179.767 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.436 ' HB2' ' O ' ' A' ' 47' ' ' ASP . 37.0 ttm180 -44.83 -32.52 1.6 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.387 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 35.1 m -101.23 -31.45 3.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.346 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 51.69 48.39 50.24 Favored Glycine 0 C--N 1.332 0.313 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.586 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 49.1 m -68.97 -92.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.709 0.29 . . . . 0.0 111.354 -179.551 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.412 ' O ' ' HG2' ' A' ' 55' ' ' GLU . 41.3 tt0 -122.96 2.09 9.33 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.955 0.407 . . . . 0.0 110.961 -179.508 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.654 ' O ' HD12 ' A' ' 56' ' ' LEU . 3.3 pp -86.92 142.2 28.18 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-O 121.617 0.722 . . . . 0.0 111.871 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 51.4 tpp -106.53 152.24 23.94 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 114.763 -1.108 . . . . 0.0 109.795 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -53.83 -12.85 0.6 Allowed 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.199 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 79.0 p -69.45 -32.81 71.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.009 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.428 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 17.3 tp10 -67.77 -33.09 74.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.068 179.646 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 28.2 mm -62.11 -20.72 24.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.747 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 11.7 mmmm -75.2 -62.61 1.5 Allowed 'General case' 0 CA--C 1.514 -0.428 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 179.152 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.448 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 9.0 t70 -59.65 -17.32 32.95 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 177.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.428 ' HB2' ' O ' ' A' ' 60' ' ' GLU . 38.5 tp -82.8 -41.4 19.17 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.515 179.418 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.826 ' HG3' ' HB2' ' A' ' 42' ' ' PHE . 15.5 tmm? -88.49 -67.41 0.83 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.517 -179.388 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -42.29 -38.68 1.88 Allowed 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.842 -179.278 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' A' ' 63' ' ' ASP . . . -78.33 -41.04 34.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.468 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.772 ' HB1' HD12 ' A' ' 76' ' ' ILE . . . -56.27 -62.09 1.95 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.909 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.563 ' HB2' ' OD1' ' A' ' 71' ' ' ASP . 8.1 p-10 -97.03 111.49 23.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.589 179.444 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.549 ' O ' ' HG3' ' A' ' 72' ' ' LYS . 8.9 tp -84.05 -21.03 8.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.012 -179.472 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.563 ' OD1' ' HB2' ' A' ' 69' ' ' ASP . 20.8 p-10 -61.42 -15.5 37.58 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.39 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.549 ' HG3' ' O ' ' A' ' 70' ' ' ILE . 38.5 mtpt 56.19 12.85 1.05 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.619 178.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 78.3 p -61.24 -17.78 55.07 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.812 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 106.23 -21.83 32.42 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.735 -0.745 . . . . 0.0 111.957 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.748 ' HB ' HG22 ' A' ' 41' ' ' THR . 4.9 t -133.13 127.77 34.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.751 0.31 . . . . 0.0 110.26 179.603 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.772 HD12 ' HB1' ' A' ' 68' ' ' ALA . 12.6 tt -78.21 133.72 29.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.967 0.413 . . . . 0.0 111.588 -179.384 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 57.9 t0 -110.07 147.35 33.76 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.618 179.485 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.491 ' CE1' ' HB2' ' A' ' 25' ' ' LEU . 22.4 t80 -50.67 -32.97 20.76 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.641 0.258 . . . . 0.0 111.356 -179.362 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.444 ' O ' HG22 ' A' ' 82' ' ' ILE . . . -52.8 -47.0 59.64 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.75 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -88.61 -32.17 18.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.847 0.356 . . . . 0.0 111.342 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -56.91 -21.71 31.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.604 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.444 HG22 ' O ' ' A' ' 79' ' ' GLY . 9.3 tp . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.495 -179.638 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.647 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 8.8 tt . . . . . 0 N--CA 1.461 0.121 0 CA-C-O 120.598 0.237 . . . . 0.0 111.238 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.559 ' N ' ' HD2' ' A' ' 26' ' ' LYS . 0.2 OUTLIER -90.93 -44.77 9.16 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -178.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -88.46 -68.17 0.78 Allowed 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 -177.498 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 89.5 mt -72.75 -64.22 1.01 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 -177.339 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.534 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 4.0 t80 -40.32 -48.69 2.7 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.662 0.615 . . . . 0.0 112.662 -178.244 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.647 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 30.2 mtpp -65.89 -38.53 89.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.778 0.323 . . . . 0.0 111.049 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 51.5 ttm -73.96 -15.08 61.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.072 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 74.3 mt -92.01 -41.36 12.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.945 0.402 . . . . 0.0 110.7 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.54 ' HA ' HG12 ' A' ' 40' ' ' ILE . 35.5 t70 -65.58 119.83 11.82 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.015 179.53 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 63.7 m -63.66 -12.68 35.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.246 0.546 . . . . 0.0 109.922 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.416 ' C ' ' N ' ' A' ' 37' ' ' SER . 57.2 m-20 -104.71 -17.27 14.7 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.568 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 52.54 16.21 0.6 Allowed 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 -179.238 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.416 ' N ' ' C ' ' A' ' 35' ' ' ASP . 66.6 p -75.99 -20.96 57.42 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.666 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 109.88 9.79 23.91 Favored Glycine 0 N--CA 1.453 -0.217 0 CA-C-N 115.201 -0.909 . . . . 0.0 112.686 179.537 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.431 ' HB ' ' OG1' ' A' ' 75' ' ' THR . 49.6 p -153.43 131.88 12.11 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.043 -0.355 . . . . 0.0 110.043 179.699 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.54 HG12 ' HA ' ' A' ' 33' ' ' ASP . 96.6 mt -103.39 130.71 53.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.822 0.344 . . . . 0.0 111.106 -179.617 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.621 HG22 ' HB ' ' A' ' 75' ' ' THR . 80.7 p -111.69 146.64 37.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.045 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.707 ' HB2' ' HG3' ' A' ' 65' ' ' MET . 24.2 t80 -37.42 -42.75 0.52 Allowed 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 123.176 0.59 . . . . 0.0 112.026 179.532 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -48.22 -47.91 35.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.773 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.492 ' HG3' HG23 ' A' ' 40' ' ' ILE . 10.0 pt-20 -89.31 -28.34 19.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.962 179.78 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.672 HD21 HD11 ' A' ' 64' ' ' LEU . 41.3 tp -42.84 -54.87 3.94 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.897 0.38 . . . . 0.0 111.129 -179.101 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.861 ' HB3' HG21 ' A' ' 61' ' ' ILE . 13.9 ptmm? -49.71 -57.77 6.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.708 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.776 ' HA ' ' HB3' ' A' ' 50' ' ' LYS . 34.7 t70 -55.66 -16.55 4.31 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 122.483 0.313 . . . . 0.0 111.778 -179.65 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -68.98 -52.14 25.36 Favored Glycine 0 N--CA 1.447 -0.596 0 N-CA-C 110.683 -0.967 . . . . 0.0 110.683 179.35 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.608 ' O ' HG22 ' A' ' 52' ' ' VAL . 19.5 tp -90.73 -12.85 35.37 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-O 121.041 0.448 . . . . 0.0 109.838 178.689 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.776 ' HB3' ' HA ' ' A' ' 47' ' ' ASP . 1.1 tmtp? -78.17 -27.51 48.04 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.017 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.441 ' HG3' HH11 ' A' ' 51' ' ' ARG . 32.4 tpt85 -44.67 -30.48 0.94 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.701 179.666 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.608 HG22 ' O ' ' A' ' 49' ' ' LEU . 32.3 m -76.53 -31.8 20.6 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 CA-C-O 120.687 0.28 . . . . 0.0 111.495 -179.737 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 61.86 48.78 81.61 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.844 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 48.5 t -88.43 -97.92 0.09 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.698 0.285 . . . . 0.0 110.939 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -141.0 41.83 1.81 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.96 0.41 . . . . 0.0 110.468 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.453 HD21 ' HG ' ' A' ' 49' ' ' LEU . 6.8 mp -69.54 157.7 36.66 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-O 121.365 0.602 . . . . 0.0 111.636 -179.582 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.536 ' HG3' ' H ' ' A' ' 60' ' ' GLU . 19.5 ptp -126.39 124.52 40.37 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.069 -0.969 . . . . 0.0 109.843 178.78 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.692 ' HA ' HD12 ' A' ' 61' ' ' ILE . 8.6 mp0 -53.73 -9.64 0.23 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.219 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.432 ' H ' ' C ' ' A' ' 57' ' ' MET . 58.4 m -84.11 -40.01 18.79 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.81 -179.287 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.536 ' H ' ' HG3' ' A' ' 57' ' ' MET . 5.3 tp10 -78.57 -19.53 52.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.738 0.304 . . . . 0.0 110.351 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.861 HG21 ' HB3' ' A' ' 46' ' ' LYS . 33.4 mt -69.02 -40.36 80.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.511 ' HD3' ' N ' ' A' ' 63' ' ' ASP . 0.0 OUTLIER -81.4 -32.0 32.99 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.991 0.424 . . . . 0.0 110.336 179.614 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.511 ' N ' ' HD3' ' A' ' 62' ' ' LYS . 8.5 t70 -73.93 -29.77 62.2 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.151 179.619 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.672 HD11 HD21 ' A' ' 45' ' ' LEU . 1.5 pp -80.92 -36.19 31.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.689 179.616 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.707 ' HG3' ' HB2' ' A' ' 42' ' ' PHE . 0.9 OUTLIER -61.41 -49.16 77.98 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.598 179.58 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -71.44 -31.86 67.69 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.055 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.07 -21.26 58.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.681 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.586 ' HB1' ' HA ' ' A' ' 81' ' ' PHE . . . -112.41 -59.89 1.94 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.358 -179.731 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.601 ' HB2' ' HB ' ' A' ' 76' ' ' ILE . 6.2 t70 -54.38 98.64 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.157 0.503 . . . . 0.0 111.321 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 14.4 tt -84.79 -25.17 7.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.978 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -69.16 -7.66 38.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.368 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 34.49 33.37 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.524 -0.762 . . . . 0.0 112.146 179.779 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 84.7 p -90.51 -6.64 54.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.974 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 106.84 -20.75 33.31 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.639 -0.791 . . . . 0.0 111.578 -179.36 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.621 ' HB ' HG22 ' A' ' 41' ' ' THR . 6.4 t -115.37 175.23 5.61 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 179.285 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.601 ' HB ' ' HB2' ' A' ' 69' ' ' ASP . 11.9 tt -156.17 143.5 11.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 120.992 0.425 . . . . 0.0 111.353 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -125.21 170.22 11.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.581 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 3.5 m-30 -51.43 -35.27 38.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.28 179.626 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.54 -32.99 74.79 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.59 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.496 ' HB2' HG13 ' A' ' 76' ' ' ILE . 46.7 mt-10 -88.32 -59.23 2.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.73 0.3 . . . . 0.0 110.857 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.586 ' HA ' ' HB1' ' A' ' 68' ' ' ALA . 30.0 t80 -43.4 -43.61 5.29 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.73 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 50.4 mm . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.392 -179.571 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.771 HD12 ' N ' ' A' ' 26' ' ' LYS . 3.5 pp . . . . . 0 N--CA 1.466 0.355 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.771 ' N ' HD12 ' A' ' 25' ' ' LEU . 55.9 mtpt -49.42 -16.41 0.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 -179.311 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -83.61 -68.32 0.72 Allowed 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -178.747 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.494 HD22 ' N ' ' A' ' 28' ' ' LEU . 3.0 mm? -90.44 -48.91 6.82 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 -178.618 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.583 ' CB ' ' HB2' ' A' ' 25' ' ' LEU . 6.5 t80 -43.68 -53.1 6.03 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -177.793 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.701 ' HG2' ' HA2' ' A' ' 38' ' ' GLY . 48.4 mtmt -68.39 -21.05 64.72 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 121.056 -0.258 . . . . 0.0 111.673 -179.106 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 17.6 ttt -81.33 -26.7 35.39 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 120.744 0.307 . . . . 0.0 111.251 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.637 HG23 HD11 ' A' ' 40' ' ' ILE . 9.4 tp -93.1 -28.51 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.239 0.543 . . . . 0.0 110.379 179.675 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 61.2 t0 -59.17 119.6 7.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.568 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 87.4 m -59.67 -12.81 7.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.214 0.53 . . . . 0.0 110.109 179.611 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.495 ' HB2' ' OE2' ' A' ' 44' ' ' GLU . 54.2 t0 -105.38 -22.57 13.01 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.012 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 56.04 13.2 1.09 Allowed 'General case' 0 C--N 1.334 -0.107 0 CA-C-O 121.104 0.478 . . . . 0.0 109.978 -179.406 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 81.0 p -78.08 -19.46 54.16 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.835 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.701 ' HA2' ' HG2' ' A' ' 30' ' ' LYS . . . 111.11 3.78 27.75 Favored Glycine 0 N--CA 1.454 -0.158 0 CA-C-N 115.365 -0.834 . . . . 0.0 112.533 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 75.1 p -144.71 132.81 21.54 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.694 ' O ' HG22 ' A' ' 76' ' ' ILE . 76.8 mt -104.73 128.36 58.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.389 -179.733 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.76 ' HB ' HG22 ' A' ' 75' ' ' THR . 1.6 t -104.82 165.58 10.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.861 179.317 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.496 ' HB2' ' HG2' ' A' ' 65' ' ' MET . 15.2 t80 -38.36 -58.22 1.03 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.49 -0.777 . . . . 0.0 112.422 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -52.85 -37.65 60.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.038 0.447 . . . . 0.0 110.571 -179.56 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.495 ' OE2' ' HB2' ' A' ' 35' ' ' ASP . 91.4 mt-10 -89.15 -13.7 37.81 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.882 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.511 ' N ' ' O ' ' A' ' 41' ' ' THR . 63.3 tp -69.59 -53.27 19.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.739 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.814 ' HB3' HG21 ' A' ' 61' ' ' ILE . 0.3 OUTLIER -57.37 -20.7 31.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.47 -179.689 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.665 ' HA ' ' NZ ' ' A' ' 50' ' ' LYS . 10.0 t70 -65.44 -16.94 64.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.231 0.539 . . . . 0.0 110.372 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.506 ' O ' HG13 ' A' ' 52' ' ' VAL . . . -91.81 -42.81 4.65 Favored Glycine 0 N--CA 1.448 -0.541 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.163 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.537 HD12 HG12 ' A' ' 61' ' ' ILE . 92.9 mt -73.72 -20.36 60.55 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 178.716 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.665 ' NZ ' ' HA ' ' A' ' 47' ' ' ASP . 6.1 ttpm? -86.54 -41.29 14.46 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.242 179.351 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.526 ' C ' ' HD3' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -60.33 -37.89 82.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.016 -179.845 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.506 HG13 ' O ' ' A' ' 48' ' ' GLY . 33.2 m -65.73 -25.15 35.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.551 -179.503 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 94.33 49.23 2.44 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.352 -0.927 . . . . 0.0 113.135 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.713 ' HB2' ' HG ' ' A' ' 56' ' ' LEU . 94.8 p -117.36 118.37 32.05 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 179.209 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.464 ' HA ' ' OE1' ' A' ' 55' ' ' GLU . 4.4 mm-40 -84.63 33.12 0.51 Allowed 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.952 -179.655 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.713 ' HG ' ' HB2' ' A' ' 54' ' ' SER . 38.5 mt -60.45 179.21 0.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.73 -1.123 . . . . 0.0 110.995 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.555 ' HG2' ' H ' ' A' ' 60' ' ' GLU . 1.2 pmm? -82.87 127.36 33.43 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.049 178.875 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -56.9 -10.18 1.01 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.316 0.579 . . . . 0.0 110.587 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.419 ' O ' ' HG3' ' A' ' 62' ' ' LYS . 49.5 m -74.07 -41.25 62.01 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.449 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.555 ' H ' ' HG2' ' A' ' 57' ' ' MET . 42.9 tp10 -62.38 -15.78 50.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.942 179.151 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.814 HG21 ' HB3' ' A' ' 46' ' ' LYS . 19.1 mt -89.56 -33.22 5.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.704 -179.388 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.692 ' HD2' ' N ' ' A' ' 63' ' ' ASP . 0.0 OUTLIER -85.83 -33.48 21.32 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 -178.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.692 ' N ' ' HD2' ' A' ' 62' ' ' LYS . 57.1 p30 -82.71 -17.79 43.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.992 0.425 . . . . 0.0 110.461 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.522 ' HB2' ' O ' ' A' ' 60' ' ' GLU . 25.4 tp -86.97 -32.89 19.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.326 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.496 ' HG2' ' HB2' ' A' ' 42' ' ' PHE . 12.9 tpt -73.4 -34.09 65.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.217 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -74.69 -32.76 62.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.148 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -84.66 -14.59 48.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.422 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -98.8 -20.12 17.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.405 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -117.94 89.65 3.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.141 0.496 . . . . 0.0 110.674 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.584 HD12 ' N ' ' A' ' 70' ' ' ILE . 2.6 mp -83.76 -21.39 8.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.648 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -58.45 -18.25 27.12 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.819 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.553 ' HG2' ' O ' ' A' ' 70' ' ' ILE . 75.6 mmtt 62.92 12.55 5.9 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 179.6 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 51.0 m -74.46 -3.43 30.66 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.142 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 85.47 -26.18 5.91 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.738 -0.744 . . . . 0.0 111.896 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.76 HG22 ' HB ' ' A' ' 41' ' ' THR . 80.5 p -117.76 141.48 48.35 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 179.379 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.694 HG22 ' O ' ' A' ' 40' ' ' ILE . 10.5 tt -97.59 141.13 16.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.042 0.449 . . . . 0.0 111.586 -179.528 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -134.94 154.86 51.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.634 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.701 ' HB2' HD23 ' A' ' 25' ' ' LEU . 3.4 m-85 -42.27 -40.4 2.42 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.14 -0.482 . . . . 0.0 112.239 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -50.82 -46.87 48.43 Favored Glycine 0 CA--C 1.518 0.274 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.981 -179.568 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.626 ' OE2' ' HA ' ' A' ' 76' ' ' ILE . 9.4 pt-20 -88.55 -54.01 4.37 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.639 0.257 . . . . 0.0 111.279 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.494 ' HB2' HD11 ' A' ' 76' ' ' ILE . 27.5 t80 -42.34 -37.35 1.52 Allowed 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 116.133 -0.485 . . . . 0.0 112.084 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.66 HD13 ' O ' ' A' ' 82' ' ' ILE . 0.1 OUTLIER . . . . . 0 CA--C 1.531 0.247 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.924 -179.289 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.789 HD21 ' HB2' ' A' ' 78' ' ' TYR . 46.5 mt . . . . . 0 C--O 1.231 0.113 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.472 ' O ' ' HD3' ' A' ' 30' ' ' LYS . 14.5 mmmm -57.78 -19.15 26.09 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.263 -179.643 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.489 ' HB3' HD12 ' A' ' 28' ' ' LEU . 87.5 tt0 -89.35 -67.91 0.81 Allowed 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 112.597 0.592 . . . . 0.0 112.597 -179.227 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.54 ' N ' HD12 ' A' ' 28' ' ' LEU . 4.2 mp -89.92 -67.55 0.84 Allowed 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -178.164 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.719 ' HB2' HD22 ' A' ' 25' ' ' LEU . 10.3 t80 -34.94 -43.08 0.18 Allowed 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 -177.853 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.472 ' HD3' ' O ' ' A' ' 26' ' ' LYS . 13.0 pttm -64.74 -42.17 95.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.963 0.411 . . . . 0.0 111.116 -178.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 50.2 ttm -64.22 -27.03 68.78 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.442 -179.411 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.75 HG23 HD11 ' A' ' 40' ' ' ILE . 10.6 tp -92.56 -21.33 6.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.016 0.436 . . . . 0.0 110.701 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.461 ' OD2' ' HB3' ' A' ' 35' ' ' ASP . 31.0 t70 -85.67 125.08 32.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.46 179.549 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 72.6 m -59.94 -13.79 12.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.976 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.461 ' HB3' ' OD2' ' A' ' 33' ' ' ASP . 28.5 t70 -103.56 -16.41 15.54 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.259 -179.704 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.2 m120 50.87 18.91 0.56 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.257 179.455 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 81.0 p -83.69 -17.85 39.98 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-O 121.35 0.595 . . . . 0.0 109.493 179.431 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 107.2 4.81 35.34 Favored Glycine 0 N--CA 1.451 -0.336 0 CA-C-N 114.971 -1.013 . . . . 0.0 112.045 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 81.6 p -134.89 132.01 38.01 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.553 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.75 HD11 HG23 ' A' ' 32' ' ' ILE . 48.5 mt -104.58 138.47 29.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.832 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.93 HG22 HG22 ' A' ' 75' ' ' THR . 60.4 p -120.24 151.43 39.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.379 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.814 ' HB2' ' HG2' ' A' ' 65' ' ' MET . 19.1 t80 -44.25 -43.6 7.38 Favored 'General case' 0 N--CA 1.454 -0.271 0 O-C-N 123.335 0.397 . . . . 0.0 110.891 179.496 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -54.21 -42.13 69.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.949 179.478 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.478 ' O ' ' HB2' ' A' ' 47' ' ' ASP . 36.6 mt-10 -89.42 -16.19 31.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.094 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.615 HD22 ' HB2' ' A' ' 65' ' ' MET . 21.1 tp -58.6 -64.14 1.03 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.057 0.456 . . . . 0.0 110.591 -179.28 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.53 ' HB3' HG21 ' A' ' 61' ' ' ILE . 61.6 pttt -49.31 -32.9 11.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.746 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.582 ' HA ' ' HZ1' ' A' ' 50' ' ' LYS . 1.1 m-20 -48.11 -16.71 0.1 Allowed 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -179.654 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -64.89 -61.81 5.52 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.584 -0.817 . . . . 0.0 111.365 179.313 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.5 HD12 ' N ' ' A' ' 49' ' ' LEU . 6.2 mp -90.25 -14.03 34.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.862 0.363 . . . . 0.0 110.208 179.03 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.645 ' HD2' ' O ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -74.25 -32.52 63.0 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.54 -179.855 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.404 HH11 ' HG2' ' A' ' 51' ' ' ARG . 55.1 ttp85 -47.8 -36.76 12.28 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.563 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 35.0 m -89.64 -28.51 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.394 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 60.79 48.81 84.37 Favored Glycine 0 C--N 1.332 0.336 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.76 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 46.8 t -86.4 -95.47 0.08 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.628 0.251 . . . . 0.0 110.957 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -147.56 69.58 1.15 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.982 0.42 . . . . 0.0 110.374 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.92 ' H ' HD22 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -91.97 179.53 5.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.509 -179.641 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.483 ' O ' HG13 ' A' ' 61' ' ' ILE . 3.1 mpp? -114.02 98.73 7.16 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.76 178.793 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -60.93 -17.54 51.78 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 179.425 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.452 ' O ' ' HG3' ' A' ' 62' ' ' LYS . 78.8 p -87.79 -17.66 31.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 114.948 -1.024 . . . . 0.0 111.111 179.582 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.419 ' HG3' ' HG ' ' A' ' 64' ' ' LEU . 17.0 tp10 -90.4 -39.85 12.42 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.008 0.432 . . . . 0.0 109.948 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.53 HG21 ' HB3' ' A' ' 46' ' ' LYS . 31.6 mt -59.39 -26.09 33.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.561 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.609 ' HD3' ' N ' ' A' ' 63' ' ' ASP . 0.0 OUTLIER -73.53 -43.31 60.27 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.663 0.268 . . . . 0.0 110.726 -179.91 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.609 ' N ' ' HD3' ' A' ' 62' ' ' LYS . 2.9 p30 -80.11 -23.75 41.0 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 179.426 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.419 ' HG ' ' HG3' ' A' ' 60' ' ' GLU . 24.8 mt -72.64 -26.23 61.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.911 178.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.814 ' HG2' ' HB2' ' A' ' 42' ' ' PHE . 12.9 tpt -83.93 -39.65 19.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.468 179.388 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -74.65 -22.79 58.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.016 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.49 -56.86 12.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.208 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.6 -50.94 21.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -81.91 100.5 9.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.0 0.428 . . . . 0.0 110.776 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.531 ' O ' ' HG3' ' A' ' 72' ' ' LYS . 14.3 tt -84.21 -22.78 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.511 179.749 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -56.14 -24.57 41.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.608 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.531 ' HG3' ' O ' ' A' ' 70' ' ' ILE . 40.6 mttm 63.56 5.26 2.08 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-O 121.242 0.544 . . . . 0.0 110.157 -179.619 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 80.5 p -70.45 0.76 6.03 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.384 -0.826 . . . . 0.0 111.188 -179.638 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.47 -10.1 38.59 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.135 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.93 HG22 HG22 ' A' ' 41' ' ' THR . 71.7 p -119.89 127.46 52.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.812 0.339 . . . . 0.0 110.622 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.566 ' HA ' ' OE2' ' A' ' 80' ' ' GLU . 10.7 tt -96.38 134.9 32.29 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.093 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -117.9 162.95 17.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.669 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.789 ' HB2' HD21 ' A' ' 25' ' ' LEU . 30.2 t80 -62.15 -31.25 71.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.913 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.94 -44.39 97.48 Favored Glycine 0 CA--C 1.519 0.334 0 CA-C-N 115.825 -0.625 . . . . 0.0 113.706 -178.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.566 ' OE2' ' HA ' ' A' ' 76' ' ' ILE . 22.0 pt-20 -86.95 -43.3 12.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.882 0.341 . . . . 0.0 111.426 -179.263 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.413 ' CD1' HD11 ' A' ' 76' ' ' ILE . 30.7 t80 -44.88 -45.51 10.33 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.364 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.43 HG22 ' O ' ' A' ' 78' ' ' TYR . 10.2 tp . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.393 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.779 ' HG ' ' H ' ' A' ' 29' ' ' PHE . 14.0 tp . . . . . 0 N--CA 1.463 0.201 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -40.61 -22.68 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 25' ' ' LEU . 17.6 tp10 -83.72 -47.01 11.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.873 0.368 . . . . 0.0 111.443 -179.682 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.64 HD23 HD11 ' A' ' 25' ' ' LEU . 64.0 tp -88.48 -52.28 5.26 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.945 -0.57 . . . . 0.0 112.067 -178.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.779 ' H ' ' HG ' ' A' ' 25' ' ' LEU . 6.0 t80 -41.94 -43.22 3.03 Favored 'General case' 0 N--CA 1.463 0.188 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -178.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.4 ' O ' ' HA ' ' A' ' 36' ' ' ASN . 13.7 pttp -70.58 -40.12 73.46 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.167 0.508 . . . . 0.0 110.691 -179.599 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 56.9 ttp -74.42 -18.13 60.7 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.776 -179.016 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.734 HG23 HD11 ' A' ' 40' ' ' ILE . 10.5 tp -92.24 -25.48 5.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.124 0.488 . . . . 0.0 110.3 179.712 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.468 ' OD2' ' HB3' ' A' ' 35' ' ' ASP . 30.7 t70 -82.91 125.16 31.06 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.018 179.216 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.682 HG22 ' HB3' ' A' ' 44' ' ' GLU . 5.0 t -56.43 -31.61 64.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.394 0.616 . . . . 0.0 110.51 -179.585 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.602 ' HB2' ' OE2' ' A' ' 44' ' ' GLU . 20.5 t70 -80.87 -20.06 43.1 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.766 -179.563 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.4 ' HA ' ' O ' ' A' ' 30' ' ' LYS . 5.9 m120 50.78 19.55 0.63 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.856 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.401 ' HB3' ' OD2' ' A' ' 35' ' ' ASP . 84.5 p -82.64 -16.88 46.63 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-O 121.423 0.63 . . . . 0.0 109.5 179.679 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.7 17.6 14.48 Favored Glycine 0 N--CA 1.451 -0.342 0 CA-C-N 114.972 -1.013 . . . . 0.0 112.153 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 72.1 p -150.29 132.43 15.35 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.734 HD11 HG23 ' A' ' 32' ' ' ILE . 69.5 mt -104.61 143.66 15.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.756 -0.378 . . . . 0.0 111.304 -179.66 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.465 ' O ' ' N ' ' A' ' 45' ' ' LEU . 75.6 p -134.15 150.44 51.11 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.401 179.488 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.543 ' HB2' ' HG2' ' A' ' 65' ' ' MET . 15.4 t80 -34.8 -61.51 0.4 Allowed 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 123.483 0.713 . . . . 0.0 112.613 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -51.53 -37.75 50.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.981 0.42 . . . . 0.0 110.738 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.682 ' HB3' HG22 ' A' ' 34' ' ' THR . 38.9 mt-10 -87.3 -17.21 32.99 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.082 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.596 HD22 ' SD ' ' A' ' 65' ' ' MET . 35.3 tp -67.23 -61.72 1.78 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.205 0.526 . . . . 0.0 110.728 -179.725 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.711 ' HB3' HG21 ' A' ' 61' ' ' ILE . 22.3 pttp -55.29 -33.04 62.91 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.12 -179.647 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.519 ' O ' ' HB2' ' A' ' 51' ' ' ARG . 7.6 t70 -45.68 -16.16 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.164 -0.471 . . . . 0.0 112.044 -179.748 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 46' ' ' LYS . . . -68.72 -64.05 3.23 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.155 -1.021 . . . . 0.0 111.86 179.767 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.694 ' O ' HG12 ' A' ' 52' ' ' VAL . 3.5 mm? -91.5 -13.51 32.04 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.739 0.304 . . . . 0.0 110.794 179.287 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.758 ' HE3' HD13 ' A' ' 56' ' ' LEU . 11.9 mptt -86.71 -15.19 40.26 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.68 0.622 . . . . 0.0 112.68 -178.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.519 ' HB2' ' O ' ' A' ' 47' ' ' ASP . 30.1 tpt180 -70.73 -11.84 61.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.095 0.474 . . . . 0.0 110.247 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.694 HG12 ' O ' ' A' ' 49' ' ' LEU . 7.1 p -85.12 -28.39 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.997 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 62.65 49.03 76.88 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.871 -0.681 . . . . 0.0 113.051 179.47 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 70.7 m -80.86 -107.57 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.922 0.361 . . . . 0.0 110.711 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.413 ' O ' ' HG2' ' A' ' 55' ' ' GLU . 36.4 tt0 -143.07 30.61 1.42 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.443 0.639 . . . . 0.0 109.667 179.554 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.758 HD13 ' HE3' ' A' ' 50' ' ' LYS . 0.6 OUTLIER -81.59 168.05 18.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.718 -179.775 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.505 ' HG3' ' HG2' ' A' ' 60' ' ' GLU . 19.9 ptt? -123.1 119.61 30.8 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.294 -0.867 . . . . 0.0 110.596 179.688 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.435 ' N ' ' OE1' ' A' ' 58' ' ' GLU . 0.3 OUTLIER -58.44 -9.33 1.54 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.675 179.698 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 89.1 p -63.05 -18.9 63.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.221 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.505 ' HG2' ' HG3' ' A' ' 57' ' ' MET . 5.1 mm-40 -86.05 -42.45 13.94 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.476 179.175 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.711 HG21 ' HB3' ' A' ' 46' ' ' LYS . 41.5 mm -52.92 -18.82 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.236 179.356 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 12.4 mmmm -73.07 -64.95 0.87 Allowed 'General case' 0 CA--C 1.514 -0.413 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 179.344 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -58.55 -17.22 19.86 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 177.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.551 ' HB2' ' HA ' ' A' ' 61' ' ' ILE . 57.1 mt -85.64 -37.56 19.36 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 115.041 -0.981 . . . . 0.0 111.25 179.614 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.596 ' SD ' HD22 ' A' ' 45' ' ' LEU . 15.8 tpt -88.37 -58.16 2.66 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.741 0.305 . . . . 0.0 111.353 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -46.96 -43.59 19.33 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.877 -179.309 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.81 -21.19 48.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.524 -179.609 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.43 ' HB1' HD12 ' A' ' 76' ' ' ILE . . . -71.52 -34.26 69.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.628 -179.627 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.613 ' HA ' ' HB3' ' A' ' 80' ' ' GLU . 7.1 t70 -114.84 128.08 56.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.006 0.431 . . . . 0.0 111.176 -179.692 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.721 HG22 ' HG3' ' A' ' 80' ' ' GLU . 0.0 OUTLIER -83.39 -27.44 7.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.828 -179.29 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.586 ' C ' ' HD3' ' A' ' 72' ' ' LYS . 63.3 m-20 -71.26 0.31 8.24 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -179.489 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.586 ' HD3' ' C ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER 34.14 36.97 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.047 0.451 . . . . 0.0 111.237 -179.768 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 53.1 p -91.9 -2.08 56.99 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.529 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 85.13 -10.33 63.72 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.652 -0.785 . . . . 0.0 111.816 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.453 ' OG1' HG22 ' A' ' 41' ' ' THR . 94.6 m -123.57 127.27 48.06 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 179.674 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.43 HD12 ' HB1' ' A' ' 68' ' ' ALA . 10.6 tt -97.87 137.99 23.9 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 CA-C-O 121.203 0.525 . . . . 0.0 111.708 -179.543 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -120.36 177.7 4.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.043 179.226 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.511 ' CE1' ' HB2' ' A' ' 25' ' ' LEU . 28.1 t80 -56.75 -32.85 66.0 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.013 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.4 -41.4 99.76 Favored Glycine 0 CA--C 1.519 0.321 0 C-N-CA 121.019 -0.61 . . . . 0.0 113.451 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.721 ' HG3' HG22 ' A' ' 70' ' ' ILE . 5.5 mp0 -84.79 -35.78 22.14 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.913 0.356 . . . . 0.0 110.987 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.401 ' HA ' HD11 ' A' ' 76' ' ' ILE . 43.1 t80 -52.05 -44.81 64.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.31 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.423 HG22 ' O ' ' A' ' 78' ' ' TYR . 8.0 tp . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.393 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.689 ' HB2' ' HA2' ' A' ' 38' ' ' GLY . 2.0 pt? . . . . . 0 N--CA 1.461 0.113 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.442 ' O ' ' HD3' ' A' ' 30' ' ' LYS . 40.1 ttmt -73.89 -67.5 0.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -179.075 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -89.35 -67.57 0.83 Allowed 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 -178.644 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.547 HD22 ' H ' ' A' ' 28' ' ' LEU . 3.5 mm? -46.36 -60.74 2.15 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 113.127 0.788 . . . . 0.0 113.127 -177.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.608 ' HB2' ' HA ' ' A' ' 25' ' ' LEU . 5.5 m-85 -61.13 -62.28 1.96 Allowed 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 -178.281 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.537 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 29.3 mtpp -45.59 -26.17 0.56 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.874 0.368 . . . . 0.0 111.227 -179.374 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 51.0 ttm -89.67 -35.85 15.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.244 179.481 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 74.0 mt -93.97 -65.7 1.07 Allowed 'Isoleucine or valine' 0 CA--C 1.521 -0.14 0 CA-C-O 120.972 0.415 . . . . 0.0 110.93 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.412 ' N ' ' O ' ' A' ' 29' ' ' PHE . 54.5 t0 -44.84 110.45 0.23 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.989 179.763 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 52.4 m -62.06 -9.88 8.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.251 0.548 . . . . 0.0 109.743 179.299 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.55 ' HB2' ' OE1' ' A' ' 44' ' ' GLU . 53.5 t0 -98.89 -23.33 15.39 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.279 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.1 m120 52.84 19.38 1.29 Allowed 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 -179.232 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 79.8 p -81.31 -14.17 57.63 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 121.466 0.65 . . . . 0.0 109.378 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.689 ' HA2' ' HB2' ' A' ' 25' ' ' LEU . . . 104.86 10.12 33.3 Favored Glycine 0 N--CA 1.45 -0.424 0 CA-C-N 114.814 -1.084 . . . . 0.0 112.092 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 35.8 m -141.53 131.08 23.9 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.623 -0.288 . . . . 0.0 110.253 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 96.7 mt -105.27 121.46 57.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 120.909 -0.317 . . . . 0.0 111.15 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.573 HG22 ' HB ' ' A' ' 75' ' ' THR . 63.2 p -111.95 136.54 51.15 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.188 179.408 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -34.72 -50.1 0.45 Allowed 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 123.25 0.62 . . . . 0.0 111.906 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -48.07 -44.29 31.33 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.135 0.493 . . . . 0.0 110.259 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.55 ' OE1' ' HB2' ' A' ' 35' ' ' ASP . 29.5 mt-10 -82.44 -35.12 27.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.479 179.336 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.594 ' CD2' ' HB2' ' A' ' 65' ' ' MET . 41.4 tp -48.82 -54.86 13.45 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.035 -179.364 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.797 ' HG2' HG21 ' A' ' 61' ' ' ILE . 8.1 mtpm? -50.57 -47.75 57.82 Favored 'General case' 0 C--O 1.224 -0.245 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.237 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.5 ' HA ' ' HB3' ' A' ' 50' ' ' LYS . 8.7 t70 -50.1 -17.11 0.37 Allowed 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.513 -179.707 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -69.67 -54.98 10.48 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.944 -0.646 . . . . 0.0 111.568 179.314 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.47 ' C ' HD13 ' A' ' 56' ' ' LEU . 87.1 mt -89.69 -13.21 37.43 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 178.848 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.5 ' HB3' ' HA ' ' A' ' 47' ' ' ASP . 88.4 tttt -86.21 -21.76 27.29 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.805 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 30.2 tpt180 -45.1 -33.16 2.04 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.986 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.0 m -105.5 -28.92 2.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.144 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 56.51 48.21 78.14 Favored Glycine 0 C--N 1.331 0.284 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.637 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 46.9 t -72.92 -83.93 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.785 0.326 . . . . 0.0 110.933 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -145.87 22.92 1.41 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.618 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.669 ' H ' HD23 ' A' ' 56' ' ' LEU . 1.8 pt? -55.92 164.19 1.26 Allowed 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 121.396 0.617 . . . . 0.0 111.681 -179.621 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.42 ' C ' ' H ' ' A' ' 59' ' ' SER . 21.4 ptp -126.11 122.65 36.35 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.861 178.752 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -53.33 -9.16 0.15 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.428 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.42 ' H ' ' C ' ' A' ' 57' ' ' MET . 48.2 t -76.24 -41.22 49.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.386 -179.279 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.622 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 69.6 mm-40 -73.5 -16.3 61.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.867 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.797 HG21 ' HG2' ' A' ' 46' ' ' LYS . 16.5 mt -86.37 -47.09 16.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.021 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.659 ' HD3' ' N ' ' A' ' 63' ' ' ASP . 0.0 OUTLIER -73.42 -30.6 63.33 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.87 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.659 ' N ' ' HD3' ' A' ' 62' ' ' LYS . 60.0 t0 -79.37 -19.14 50.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.342 0.591 . . . . 0.0 109.527 179.243 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.622 ' HB2' ' O ' ' A' ' 60' ' ' GLU . 36.6 tp -86.22 -30.11 22.64 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.208 179.653 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.594 ' HB2' ' CD2' ' A' ' 45' ' ' LEU . 10.2 tmm? -89.01 -64.99 1.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.22 -179.623 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.541 ' HA ' ' OD1' ' A' ' 69' ' ' ASP . 63.6 t0 -54.7 -62.01 1.93 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.167 -178.834 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.589 ' HB3' ' O ' ' A' ' 63' ' ' ASP . . . -59.43 -7.31 1.32 Allowed 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -178.848 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -106.01 -20.89 13.29 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.815 0.302 . . . . 0.0 111.815 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.67 ' HB3' ' HB ' ' A' ' 76' ' ' ILE . 1.4 p-10 -110.33 131.07 55.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.986 0.422 . . . . 0.0 110.154 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.53 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 9.1 tp -84.58 -29.01 6.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.966 -178.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -56.48 -24.97 49.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.955 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.608 ' HB3' ' NZ ' ' A' ' 72' ' ' LYS . 2.7 mmmp? 57.62 15.16 2.7 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-O 121.324 0.583 . . . . 0.0 109.652 -179.266 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 78.6 p -78.34 -5.61 52.69 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.095 -0.957 . . . . 0.0 111.569 -179.225 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 98.45 -14.29 62.24 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.097 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.573 ' HB ' HG22 ' A' ' 41' ' ' THR . 9.8 t -117.46 177.7 4.65 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 179.473 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.67 ' HB ' ' HB3' ' A' ' 69' ' ' ASP . 12.1 tt -157.79 145.08 9.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 CA-C-O 121.217 0.532 . . . . 0.0 112.299 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.577 ' OD1' ' HB2' ' A' ' 80' ' ' GLU . 6.6 p-10 -120.33 169.27 10.44 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.314 178.707 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -64.88 -40.63 95.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.903 0.383 . . . . 0.0 111.358 -178.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -74.43 -13.77 81.43 Favored Glycine 0 N--CA 1.453 -0.23 0 CA-C-N 115.915 -0.584 . . . . 0.0 113.054 -179.245 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.577 ' HB2' ' OD1' ' A' ' 77' ' ' ASP . 88.4 tt0 -79.45 -55.02 5.36 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.97 0.414 . . . . 0.0 110.793 -179.513 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -50.93 -36.08 36.66 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.231 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 8.1 tp . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.361 -179.731 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.489 ' O ' ' HG2' ' A' ' 30' ' ' LYS . 31.3 tp . . . . . 0 N--CA 1.467 0.418 0 N-CA-C 113.059 0.763 . . . . 0.0 113.059 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.646 ' NZ ' ' HB2' ' A' ' 26' ' ' LYS . 4.8 ttmp? -90.73 -68.17 0.8 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 -178.216 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -89.44 -68.26 0.79 Allowed 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 -177.474 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.454 HD22 ' N ' ' A' ' 28' ' ' LEU . 3.5 mm? -60.14 -66.38 0.53 Allowed 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 113.301 0.852 . . . . 0.0 113.301 -177.249 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.468 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 3.6 t80 -43.55 -46.05 6.89 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -177.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.489 ' HG2' ' O ' ' A' ' 25' ' ' LEU . 14.3 mmmm -70.52 -29.66 66.22 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -179.29 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 54.6 ttp -89.76 -14.42 34.61 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -178.601 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.817 HG23 HD11 ' A' ' 40' ' ' ILE . 14.5 tt -92.53 -28.28 4.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.734 0.302 . . . . 0.0 111.61 -178.714 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -89.1 124.99 34.83 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.447 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 89.3 m -65.03 -15.04 61.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.149 0.499 . . . . 0.0 110.124 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -100.57 -19.73 16.01 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.691 -0.686 . . . . 0.0 112.197 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.455 ' ND2' ' O ' ' A' ' 30' ' ' LYS . 4.3 m120 49.56 22.28 0.73 Allowed 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 -179.727 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 81.0 p -84.65 -15.88 43.86 Favored 'General case' 0 CA--C 1.511 -0.528 0 CA-C-O 121.52 0.676 . . . . 0.0 109.318 -179.648 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.24 25.19 7.17 Favored Glycine 0 N--CA 1.449 -0.456 0 CA-C-N 114.788 -1.096 . . . . 0.0 111.76 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 54.7 m -161.62 132.96 5.36 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.558 -0.321 . . . . 0.0 110.41 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.817 HD11 HG23 ' A' ' 32' ' ' ILE . 50.4 mt -104.96 150.67 7.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.936 0.398 . . . . 0.0 111.217 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.562 ' O ' ' N ' ' A' ' 45' ' ' LEU . 21.3 m -133.77 165.69 24.39 Favored 'General case' 0 C--O 1.22 -0.453 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 179.236 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -59.6 -54.24 48.82 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 122.519 0.328 . . . . 0.0 111.151 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -55.51 -29.99 59.86 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.317 0.58 . . . . 0.0 109.673 179.618 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -89.24 -22.9 22.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.579 179.015 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.562 ' N ' ' O ' ' A' ' 41' ' ' THR . 59.2 tp -66.93 -64.25 0.89 Allowed 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.039 -0.982 . . . . 0.0 111.005 -179.331 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.669 ' HA ' HD13 ' A' ' 61' ' ' ILE . 14.2 ptmm? -55.76 -38.38 69.76 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.475 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -66.11 -16.64 64.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.088 0.471 . . . . 0.0 110.461 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -89.03 -41.37 5.91 Favored Glycine 0 N--CA 1.45 -0.4 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.258 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.726 HD11 HD12 ' A' ' 56' ' ' LEU . 7.8 tt -77.16 -20.37 55.59 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 178.5 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -84.74 -36.46 21.77 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.264 179.112 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 55.1 ttp180 -51.04 -30.64 16.11 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.962 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 34.4 m -88.97 -30.79 5.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.899 179.56 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 67.73 49.07 52.05 Favored Glycine 0 C--N 1.332 0.329 0 C-N-CA 120.708 -0.758 . . . . 0.0 113.032 179.462 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 60.3 m -60.67 -101.15 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.757 0.279 . . . . 0.0 110.913 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -175.38 42.36 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.771 0.319 . . . . 0.0 110.847 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.726 HD12 HD11 ' A' ' 49' ' ' LEU . 16.5 mt -111.89 178.75 4.21 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 121.281 0.562 . . . . 0.0 111.281 -179.677 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.466 ' C ' ' H ' ' A' ' 59' ' ' SER . 50.3 tpp -107.16 125.21 50.79 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.281 178.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.513 ' HA ' HD12 ' A' ' 61' ' ' ILE . 11.9 pm0 -50.47 -10.68 0.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.18 0.514 . . . . 0.0 111.564 -179.617 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.588 ' O ' ' HG3' ' A' ' 62' ' ' LYS . 53.9 m -67.4 -44.9 77.72 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.371 -179.575 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.503 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 43.5 tt0 -68.23 -20.07 64.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.855 0.36 . . . . 0.0 110.209 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.669 HD13 ' HA ' ' A' ' 46' ' ' LYS . 46.9 mt -69.11 -37.74 77.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.491 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.588 ' HG3' ' O ' ' A' ' 59' ' ' SER . 0.0 OUTLIER -73.41 -35.94 65.91 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.667 0.27 . . . . 0.0 110.576 -179.704 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -78.89 -24.26 44.29 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 121.135 0.493 . . . . 0.0 109.734 179.012 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.503 ' HB2' ' O ' ' A' ' 60' ' ' GLU . 34.7 tp -75.0 -29.6 60.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.85 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 13.2 tmm? -82.64 -45.36 14.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.95 -179.63 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -63.4 -52.51 61.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.352 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.38 -7.47 31.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.846 -179.444 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.554 ' HB1' ' HD1' ' A' ' 81' ' ' PHE . . . -94.81 -48.77 5.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.78 0.324 . . . . 0.0 111.469 -179.727 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -94.49 118.71 32.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.077 0.465 . . . . 0.0 110.893 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.451 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 14.4 tt -83.58 -19.86 9.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.533 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.579 ' HB2' ' OE2' ' A' ' 80' ' ' GLU . 58.2 t0 -64.24 -13.0 46.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.309 179.612 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.451 ' HG2' ' O ' ' A' ' 70' ' ' ILE . 45.4 mmtm 46.73 28.02 0.75 Allowed 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.925 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 81.0 p -94.17 -1.37 54.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.055 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 90.01 -16.28 57.41 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.442 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.469 HG22 ' OG1' ' A' ' 41' ' ' THR . 69.3 p -110.75 127.63 55.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.857 0.36 . . . . 0.0 110.812 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.42 HD11 ' HB2' ' A' ' 81' ' ' PHE . 6.7 tp -98.47 140.57 17.95 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.481 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -128.49 152.85 47.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.471 179.505 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 3.9 m-30 -60.33 -14.02 16.12 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.756 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -88.23 -40.87 6.37 Favored Glycine 0 N--CA 1.453 -0.185 0 C-N-CA 120.571 -0.823 . . . . 0.0 112.956 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.579 ' OE2' ' HB2' ' A' ' 71' ' ' ASP . 51.1 mt-10 -88.15 -20.92 24.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.864 0.364 . . . . 0.0 111.032 -179.514 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.554 ' HD1' ' HB1' ' A' ' 68' ' ' ALA . 22.9 t80 -60.64 -56.01 26.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.759 179.634 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 8.8 tp . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.96 -179.922 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.824 HD13 ' HA2' ' A' ' 38' ' ' GLY . 29.1 tp . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.768 0.318 . . . . 0.0 111.576 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -73.28 -67.7 0.56 Allowed 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -178.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -89.13 -67.71 0.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -178.483 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 96.0 mt -44.81 -63.72 0.85 Allowed 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 113.29 0.848 . . . . 0.0 113.29 -177.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.573 ' HB2' ' HA ' ' A' ' 25' ' ' LEU . 10.8 m-85 -59.29 -65.21 0.71 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -178.169 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.583 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 27.6 mtpp -41.95 -30.81 0.29 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.897 -178.735 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 54.7 ttm -89.83 -31.7 17.25 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 47.3 mm -93.87 -65.32 1.12 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.398 0 CA-C-O 121.066 0.46 . . . . 0.0 110.224 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.572 ' HA ' ' OE2' ' A' ' 44' ' ' GLU . 67.8 t0 -48.81 102.45 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.7 179.112 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 90.5 m -59.94 -15.68 23.8 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-O 121.63 0.729 . . . . 0.0 109.385 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.497 ' HB3' ' OG ' ' A' ' 37' ' ' SER . 66.2 m-20 -100.74 -17.78 16.79 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 114.675 -1.148 . . . . 0.0 111.96 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.438 ' ND2' ' HA ' ' A' ' 30' ' ' LYS . 4.1 m120 51.03 17.7 0.47 Allowed 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 -178.734 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.497 ' OG ' ' HB3' ' A' ' 35' ' ' ASP . 15.9 m -69.84 -15.73 63.15 Favored 'General case' 0 CA--C 1.511 -0.54 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.824 ' HA2' HD13 ' A' ' 25' ' ' LEU . . . 101.29 3.88 53.63 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 114.484 -1.235 . . . . 0.0 111.792 -179.433 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 69.4 p -139.19 136.47 35.08 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.643 ' HA ' ' OE2' ' A' ' 44' ' ' GLU . 59.4 mt -104.1 136.48 37.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.848 -179.633 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.579 HG23 ' O ' ' A' ' 74' ' ' GLY . 15.5 m -131.7 162.45 30.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.355 -179.449 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.562 ' HE1' ' HB ' ' A' ' 61' ' ' ILE . 55.1 t80 -49.24 -32.22 10.23 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 124.035 0.934 . . . . 0.0 112.217 179.68 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -66.5 -58.44 5.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.085 0.469 . . . . 0.0 110.642 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.643 ' OE2' ' HA ' ' A' ' 40' ' ' ILE . 12.6 pt-20 -75.55 -17.31 60.11 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.248 179.681 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.517 HD23 HG22 ' A' ' 61' ' ' ILE . 37.6 tp -55.46 -67.1 0.31 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.117 -179.117 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.833 ' HB3' HD13 ' A' ' 61' ' ' ILE . 26.1 pttm -54.96 -38.57 67.94 Favored 'General case' 0 C--O 1.222 -0.366 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.83 -179.24 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.48 ' O ' ' HB2' ' A' ' 51' ' ' ARG . 30.3 m-20 -46.14 -15.02 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 -179.559 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 46' ' ' LYS . . . -86.65 -60.3 1.72 Allowed Glycine 0 N--CA 1.453 -0.194 0 C-N-CA 120.733 -0.746 . . . . 0.0 113.437 -178.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 87.1 mt -85.27 -21.37 29.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.142 0.496 . . . . 0.0 110.759 -179.553 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.843 ' HE3' ' HB3' ' A' ' 56' ' ' LEU . 11.6 mptt -86.78 -15.18 40.1 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.104 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.515 ' C ' ' HD3' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -43.24 -35.9 1.6 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.832 179.685 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 35.5 m -101.35 -22.41 4.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.375 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 59.07 48.26 86.78 Favored Glycine 0 C--N 1.331 0.297 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.222 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 45.5 t -75.56 -84.03 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.782 0.289 . . . . 0.0 111.782 -179.292 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -115.1 -16.1 11.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.606 -178.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.843 ' HB3' ' HE3' ' A' ' 50' ' ' LYS . 3.0 mm? -49.42 148.64 2.61 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-O 121.472 0.653 . . . . 0.0 112.106 -179.591 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.458 ' C ' ' H ' ' A' ' 59' ' ' SER . 48.6 ttm -126.05 132.7 51.9 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 114.899 -1.046 . . . . 0.0 109.427 178.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.513 ' HA ' ' CD1' ' A' ' 61' ' ' ILE . 38.6 tt0 -51.18 -9.71 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.538 -179.714 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.458 ' H ' ' C ' ' A' ' 57' ' ' MET . 86.4 p -85.13 -41.47 15.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.98 -179.159 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.466 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 44.1 tt0 -64.4 -25.16 67.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.559 0.219 . . . . 0.0 111.058 -179.436 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.833 HD13 ' HB3' ' A' ' 46' ' ' LYS . 3.9 mt -63.15 -24.6 36.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.349 -179.484 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.443 ' HE3' ' O ' ' A' ' 58' ' ' GLU . 29.1 mmtp -70.84 -64.23 0.94 Allowed 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 121.104 0.478 . . . . 0.0 109.748 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.489 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 8.7 t70 -59.42 -17.13 28.08 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 178.274 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.487 ' O ' ' HB2' ' A' ' 68' ' ' ALA . 40.6 tp -80.61 -45.68 16.9 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.514 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.462 ' HG3' ' HB2' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -88.07 -55.77 3.61 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.655 -178.932 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -50.44 -40.71 51.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.452 -179.216 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.489 ' HB3' ' O ' ' A' ' 63' ' ' ASP . . . -83.09 -17.35 43.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.728 0.299 . . . . 0.0 111.298 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.689 ' HB1' HD12 ' A' ' 76' ' ' ILE . . . -62.65 -56.64 15.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.173 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.576 ' HB2' ' OE1' ' A' ' 80' ' ' GLU . 7.4 p-10 -110.3 127.64 55.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.123 0.487 . . . . 0.0 110.491 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.596 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 15.9 tt -83.91 -14.39 11.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.541 -179.568 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.45 ' HB2' ' OE2' ' A' ' 80' ' ' GLU . 56.9 t0 -59.01 -20.66 55.12 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.45 179.749 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.596 ' HG2' ' O ' ' A' ' 70' ' ' ILE . 34.0 mmtp 58.36 15.24 3.33 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-N 115.987 -0.552 . . . . 0.0 109.943 -179.487 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 87.3 p -77.34 0.74 21.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.371 -0.832 . . . . 0.0 111.382 -179.275 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.579 ' O ' HG23 ' A' ' 41' ' ' THR . . . 78.23 -3.36 62.48 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.259 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.473 HG22 ' OG1' ' A' ' 41' ' ' THR . 70.3 p -140.44 132.53 27.94 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 179.625 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.689 HD12 ' HB1' ' A' ' 68' ' ' ALA . 15.0 tt -94.58 140.62 16.36 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 CA-C-O 121.091 0.472 . . . . 0.0 111.73 -179.33 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -110.76 167.96 9.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.248 179.387 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.494 ' HB2' ' CZ ' ' A' ' 29' ' ' PHE . 33.2 t80 -73.24 -32.35 64.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.169 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -74.16 -26.4 68.6 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.776 -0.726 . . . . 0.0 113.113 -179.267 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.576 ' OE1' ' HB2' ' A' ' 69' ' ' ASP . 34.2 tt0 -88.49 -43.11 11.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.913 0.387 . . . . 0.0 110.764 -179.775 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.514 ' HB2' HD11 ' A' ' 76' ' ' ILE . 28.9 t80 -57.38 -42.64 82.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.145 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 13.8 tt . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.393 -179.668 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.5 HD13 ' C ' ' A' ' 25' ' ' LEU . 3.2 tm? . . . . . 0 CA--C 1.532 0.266 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -92.53 -69.54 0.74 Allowed 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 114.774 1.398 . . . . 0.0 114.774 -177.646 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -89.51 -67.88 0.81 Allowed 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 -176.412 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.535 HD22 ' H ' ' A' ' 28' ' ' LEU . 3.8 mm? -38.37 -35.87 0.2 Allowed 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 -177.465 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.406 ' HD1' ' HA ' ' A' ' 29' ' ' PHE . 0.5 OUTLIER -55.27 -58.09 9.14 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.914 0.388 . . . . 0.0 111.264 -179.699 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -70.84 -21.14 62.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.627 -179.456 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 25.1 mmt -88.02 -17.51 31.03 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -178.705 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.515 HG12 ' O ' ' A' ' 28' ' ' LEU . 29.9 mm -93.67 -54.42 7.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.365 0.603 . . . . 0.0 109.796 179.273 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.4 ' OD2' ' N ' ' A' ' 36' ' ' ASN . 12.4 t70 -56.58 105.78 0.24 Allowed 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.988 179.084 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.1 t -56.89 -25.6 57.34 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-O 121.748 0.785 . . . . 0.0 109.61 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -76.72 -24.91 53.07 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.262 -1.335 . . . . 0.0 110.299 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.4 ' N ' ' OD2' ' A' ' 33' ' ' ASP . 5.3 m120 53.37 16.66 0.91 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.002 -179.365 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 70.6 p -77.31 -19.26 56.64 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 107.83 14.57 16.99 Favored Glycine 0 N--CA 1.451 -0.324 0 CA-C-N 114.972 -1.013 . . . . 0.0 112.373 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.522 ' HB ' ' CG2' ' A' ' 75' ' ' THR . 24.2 p -157.44 142.61 17.0 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.481 HD12 ' HE1' ' A' ' 78' ' ' TYR . 84.2 mt -104.58 143.71 15.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.662 0.268 . . . . 0.0 110.966 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.541 ' O ' ' HG2' ' A' ' 44' ' ' GLU . 82.8 p -134.26 145.14 48.83 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.286 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.568 ' HB2' ' HG2' ' A' ' 65' ' ' MET . 35.1 t80 -34.83 -43.25 0.18 Allowed 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 123.333 0.653 . . . . 0.0 112.391 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -48.28 -49.64 32.86 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.935 0.398 . . . . 0.0 110.748 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.541 ' HG2' ' O ' ' A' ' 41' ' ' THR . 12.7 pt-20 -86.61 -33.24 20.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.546 179.596 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.597 HD22 ' HB3' ' A' ' 65' ' ' MET . 48.5 tp -43.64 -62.57 1.05 Allowed 'General case' 0 C--O 1.231 0.131 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.471 -179.594 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.513 ' HB3' HG21 ' A' ' 61' ' ' ILE . 14.1 ptmm? -49.62 -54.49 18.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.901 -179.522 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.641 ' HA ' ' HB3' ' A' ' 50' ' ' LYS . 58.7 m-20 -64.01 -16.07 60.82 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.773 0.32 . . . . 0.0 111.46 -179.589 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -74.88 -43.58 27.29 Favored Glycine 0 CA--C 1.505 -0.533 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.618 ' HG ' HD23 ' A' ' 56' ' ' LEU . 28.8 tp -89.43 -19.38 25.22 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 178.606 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.641 ' HB3' ' HA ' ' A' ' 47' ' ' ASP . 57.4 tptt -79.18 -26.38 42.68 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.994 179.502 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.477 ' HA ' ' HE ' ' A' ' 51' ' ' ARG . 5.6 tpm_? -46.62 -30.04 2.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.088 179.624 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.552 HG22 ' O ' ' A' ' 49' ' ' LEU . 23.8 m -89.9 -31.45 5.27 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.273 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 59.01 49.46 78.26 Favored Glycine 0 C--N 1.332 0.339 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.929 179.35 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 44.6 t -79.78 -99.13 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.825 0.312 . . . . 0.0 110.851 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -141.16 54.1 1.56 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.987 0.422 . . . . 0.0 110.071 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.618 HD23 ' HG ' ' A' ' 49' ' ' LEU . 1.1 pp -103.57 164.45 11.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.462 0.649 . . . . 0.0 112.568 -179.007 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.446 ' HG3' ' HG2' ' A' ' 60' ' ' GLU . 21.1 ptm -126.53 120.9 30.8 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.934 -1.03 . . . . 0.0 109.644 178.712 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -55.23 -9.71 0.46 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.77 -179.241 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.5 t -75.67 -28.78 58.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.338 -179.322 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.446 ' HG2' ' HG3' ' A' ' 57' ' ' MET . 58.5 mm-40 -89.16 -17.81 28.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.96 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.513 HG21 ' HB3' ' A' ' 46' ' ' LYS . 41.2 mm -69.45 -39.93 79.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.75 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.586 ' HD2' ' N ' ' A' ' 63' ' ' ASP . 0.0 OUTLIER -75.81 -27.7 58.02 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.997 0.427 . . . . 0.0 110.524 179.823 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.586 ' N ' ' HD2' ' A' ' 62' ' ' LYS . 8.9 t70 -86.26 -18.86 30.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.108 179.523 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.435 ' HB2' ' O ' ' A' ' 60' ' ' GLU . 41.8 tp -78.52 -44.41 24.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.416 179.758 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.597 ' HB3' HD22 ' A' ' 45' ' ' LEU . 3.7 ppp? -73.4 -19.78 60.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.979 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -84.07 -40.4 18.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.805 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -79.77 -46.94 16.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.265 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.74 -53.68 55.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.222 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.494 ' HB2' ' HB ' ' A' ' 76' ' ' ILE . 4.4 t70 -83.53 114.57 21.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.078 0.466 . . . . 0.0 110.697 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 14.2 tt -85.25 -20.63 8.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.024 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.525 ' O ' ' HG3' ' A' ' 72' ' ' LYS . 29.9 t70 -63.76 -10.45 19.8 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.226 -179.655 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.525 ' HG3' ' O ' ' A' ' 71' ' ' ASP . 7.2 pttm 39.92 27.05 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.603 179.675 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 89.2 p -90.72 -0.97 57.87 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.221 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 88.1 -19.15 36.23 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.565 -0.826 . . . . 0.0 111.571 -179.441 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.522 ' CG2' ' HB ' ' A' ' 39' ' ' THR . 96.7 m -111.33 127.17 55.56 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 179.2 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.494 ' HB ' ' HB2' ' A' ' 69' ' ' ASP . 14.1 tt -114.85 152.51 16.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 -178.167 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.417 ' N ' HG12 ' A' ' 76' ' ' ILE . 1.5 m-20 -131.07 154.63 48.05 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 114.659 -1.155 . . . . 0.0 109.329 178.566 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.481 ' HE1' HD12 ' A' ' 40' ' ' ILE . 2.2 m-85 -70.63 -20.44 62.73 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.998 -179.744 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -83.53 -23.58 53.28 Favored Glycine 0 CA--C 1.521 0.442 0 C-N-CA 120.794 -0.717 . . . . 0.0 113.826 -179.357 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -88.15 -36.37 16.89 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 117.221 0.511 . . . . 0.0 111.635 -179.289 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -48.05 -24.2 1.02 Allowed 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.544 HD12 ' N ' ' A' ' 82' ' ' ILE . 1.9 mp . . . . . 0 C--N 1.331 -0.223 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -178.818 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.454 ' O ' ' HB2' ' A' ' 30' ' ' LYS . 66.7 mttm -92.29 -68.78 0.78 Allowed 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 115.46 1.652 . . . . 0.0 115.46 -177.133 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -90.32 -69.62 0.72 Allowed 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 116.163 1.912 . . . . 0.0 116.163 -175.176 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.1 mp -38.51 -64.1 0.45 Allowed 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 -175.72 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.526 ' HA ' HG22 ' A' ' 32' ' ' ILE . 2.1 t80 -71.53 -57.59 4.28 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -177.463 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.521 ' HD3' ' HA2' ' A' ' 38' ' ' GLY . 73.9 mmtt -47.85 -25.53 1.33 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -178.879 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 50.5 ttm -90.15 -22.56 21.67 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 112.534 0.568 . . . . 0.0 112.534 -178.726 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.794 HG23 HD11 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -91.72 -39.85 11.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.549 0.214 . . . . 0.0 110.886 -179.242 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.415 ' HA ' HG12 ' A' ' 40' ' ' ILE . 30.4 t70 -53.49 126.09 20.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.916 0.389 . . . . 0.0 110.443 179.585 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 89.3 m -61.93 -15.83 46.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.111 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.412 ' HB2' ' OD2' ' A' ' 33' ' ' ASP . 71.7 m-20 -104.42 -13.76 15.97 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.662 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 32.0 m120 53.2 16.77 0.86 Allowed 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 -179.258 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 59.7 p -80.01 -19.07 48.62 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.752 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.521 ' HA2' ' HD3' ' A' ' 30' ' ' LYS . . . 107.01 0.59 35.93 Favored Glycine 0 N--CA 1.452 -0.266 0 CA-C-N 115.21 -0.904 . . . . 0.0 112.726 179.651 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.562 ' HB ' ' HB ' ' A' ' 75' ' ' THR . 75.5 p -139.05 131.59 28.74 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 179.566 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.794 HD11 HG23 ' A' ' 32' ' ' ILE . 72.8 mt -104.31 140.74 21.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.992 -179.608 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.5 ' O ' ' N ' ' A' ' 45' ' ' LEU . 2.1 t -116.24 165.01 13.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.01 0.433 . . . . 0.0 111.401 179.732 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.4 ' HB2' ' HG3' ' A' ' 65' ' ' MET . 28.1 t80 -37.65 -61.54 0.61 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.83 -1.077 . . . . 0.0 112.6 179.767 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.567 ' HA ' ' HE2' ' A' ' 46' ' ' LYS . 8.5 t70 -51.4 -38.69 54.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.853 0.358 . . . . 0.0 111.147 -179.308 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 77.5 mt-10 -89.29 -14.03 36.7 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.863 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 41' ' ' THR . 42.5 tp -72.49 -49.75 30.84 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.584 -179.776 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.567 ' HE2' ' HA ' ' A' ' 43' ' ' ASP . 59.4 pttt -60.29 -22.17 62.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.619 -0.718 . . . . 0.0 111.182 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.743 ' HA ' ' HB3' ' A' ' 50' ' ' LYS . 33.3 t70 -56.49 -17.44 8.3 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.033 0.444 . . . . 0.0 110.398 179.644 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -70.43 -48.64 35.95 Favored Glycine 0 N--CA 1.45 -0.429 0 N-CA-C 111.101 -0.8 . . . . 0.0 111.101 179.15 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.565 ' O ' HD23 ' A' ' 56' ' ' LEU . 2.9 mm? -89.96 -13.95 35.1 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 178.621 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.743 ' HB3' ' HA ' ' A' ' 47' ' ' ASP . 87.4 tttt -75.54 -38.71 59.1 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.546 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 56.7 ttp180 -44.91 -38.15 4.45 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.303 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 35.5 m -89.67 -30.35 5.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.154 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 45.42 48.29 11.54 Favored Glycine 0 C--N 1.333 0.37 0 CA-C-N 116.147 -0.479 . . . . 0.0 113.287 179.48 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 46.0 t -79.64 -81.93 0.11 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.86 0.362 . . . . 0.0 110.739 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.416 ' O ' ' HG2' ' A' ' 55' ' ' GLU . 86.3 tt0 -150.32 39.85 0.76 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.397 0.618 . . . . 0.0 109.788 179.562 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.565 HD23 ' O ' ' A' ' 49' ' ' LEU . 1.9 pp -60.55 178.4 0.22 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.976 -179.518 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.459 ' HG2' ' H ' ' A' ' 59' ' ' SER . 49.0 ttm -126.34 107.18 10.06 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.01 -0.996 . . . . 0.0 109.569 178.793 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -58.17 -12.81 3.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.132 0.492 . . . . 0.0 110.231 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.459 ' H ' ' HG2' ' A' ' 57' ' ' MET . 47.4 t -87.68 -27.97 22.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.728 179.406 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.437 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 44.8 tt0 -70.2 -33.11 71.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.692 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.506 HG21 ' HB3' ' A' ' 46' ' ' LYS . 35.2 mm -59.75 -18.77 15.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.734 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 26.6 mmmt -73.99 -65.01 0.89 Allowed 'General case' 0 CA--C 1.513 -0.463 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 179.345 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -57.6 -17.17 12.93 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 178.001 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.67 ' O ' ' HB2' ' A' ' 68' ' ' ALA . 5.0 tt -86.28 -35.34 19.99 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.453 179.767 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.4 ' HG3' ' HB2' ' A' ' 42' ' ' PHE . 11.4 tmm? -87.79 -57.9 2.77 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.204 -179.536 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -48.95 -36.77 18.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.315 -179.487 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -92.86 -12.53 30.8 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.549 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.957 ' HB1' HD12 ' A' ' 76' ' ' ILE . . . -59.89 -57.85 11.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.753 -179.723 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.66 ' HB3' ' HA ' ' A' ' 76' ' ' ILE . 12.5 p-10 -105.56 129.27 53.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.285 0.564 . . . . 0.0 111.233 -179.455 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.685 HD13 ' O ' ' A' ' 70' ' ' ILE . 0.2 OUTLIER -83.61 -12.73 11.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.062 179.624 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -69.0 -11.24 60.6 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.925 -1.034 . . . . 0.0 110.478 179.419 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.626 ' HD3' ' O ' ' A' ' 70' ' ' ILE . 0.5 OUTLIER 43.08 30.24 0.25 Allowed 'General case' 0 CA--C 1.522 -0.126 0 CA-C-O 121.117 0.484 . . . . 0.0 111.396 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 93.0 p -93.49 -0.39 56.4 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.925 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 87.26 -7.88 78.99 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.503 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.562 ' HB ' ' HB ' ' A' ' 39' ' ' THR . 73.5 p -124.0 131.24 53.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.843 0.354 . . . . 0.0 110.887 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.957 HD12 ' HB1' ' A' ' 68' ' ' ALA . 9.3 tt -90.37 148.62 4.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.481 -179.759 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -131.07 149.37 52.64 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.516 -0.766 . . . . 0.0 109.551 179.172 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -51.47 -41.0 60.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.752 0.31 . . . . 0.0 111.56 -179.24 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -72.57 -26.13 72.45 Favored Glycine 0 CA--C 1.517 0.178 0 C-N-CA 120.964 -0.636 . . . . 0.0 113.116 -179.404 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.427 ' OE1' ' HB2' ' A' ' 69' ' ' ASP . 94.5 mt-10 -88.12 -23.03 23.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.911 0.386 . . . . 0.0 111.075 -179.757 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -66.19 -33.61 76.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.9 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 13.7 tt . . . . . 0 C--N 1.331 -0.212 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.057 -179.998 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.549 HD13 ' C ' ' A' ' 25' ' ' LEU . 2.4 tm? . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.751 0.31 . . . . 0.0 111.625 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.95 ' HA ' ' HE3' ' A' ' 30' ' ' LYS . 6.5 ttpm? -76.41 -30.73 57.57 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -178.201 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -89.01 -68.94 0.74 Allowed 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 -177.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.833 ' H ' HD23 ' A' ' 28' ' ' LEU . 0.8 OUTLIER -90.73 -56.47 3.17 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 114.511 1.3 . . . . 0.0 114.511 -177.427 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.545 ' HB2' ' HA ' ' A' ' 25' ' ' LEU . 0.9 OUTLIER -37.36 -65.25 0.32 Allowed 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 -176.833 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.95 ' HE3' ' HA ' ' A' ' 26' ' ' LYS . 10.4 mtmp? -53.42 -44.36 68.73 Favored 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 111.738 0.273 . . . . 0.0 111.738 -179.262 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 44.5 tpp -56.29 -21.57 24.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.807 0.337 . . . . 0.0 111.111 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 48.9 mm -93.5 -59.01 3.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.244 0.545 . . . . 0.0 110.43 179.532 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.518 ' OD2' ' HB3' ' A' ' 35' ' ' ASP . 30.8 t70 -57.6 111.35 1.09 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.201 -0.908 . . . . 0.0 110.794 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 60.8 m -61.99 -9.85 8.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.09 0.471 . . . . 0.0 110.134 179.568 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.518 ' HB3' ' OD2' ' A' ' 33' ' ' ASP . 53.6 t0 -94.31 -23.06 17.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.644 -179.619 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 54.67 15.23 1.02 Allowed 'General case' 0 C--O 1.231 0.092 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.112 -179.229 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 81.0 p -80.9 -21.28 40.72 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-O 121.201 0.524 . . . . 0.0 110.007 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.463 ' HA2' HD21 ' A' ' 25' ' ' LEU . . . 109.33 10.73 23.28 Favored Glycine 0 N--CA 1.452 -0.284 0 CA-C-N 115.341 -0.845 . . . . 0.0 112.138 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 52.5 p -151.35 134.54 15.98 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.569 ' HB ' HG23 ' A' ' 76' ' ' ILE . 80.7 mt -103.75 149.3 7.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.743 0.306 . . . . 0.0 111.001 -179.741 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.786 HG22 HG22 ' A' ' 75' ' ' THR . 82.0 p -136.4 141.57 43.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.241 179.496 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.503 ' CZ ' ' HB3' ' A' ' 62' ' ' LYS . 26.0 t80 -38.5 -35.01 0.16 Allowed 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -58.53 -50.2 74.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.007 0.432 . . . . 0.0 110.428 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.484 ' OE1' ' HB2' ' A' ' 35' ' ' ASP . 13.0 pt-20 -86.81 -17.14 34.15 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.628 179.404 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.588 HD22 ' HB3' ' A' ' 65' ' ' MET . 20.9 tp -59.69 -61.37 2.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.844 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.726 ' HB3' HG21 ' A' ' 61' ' ' ILE . 22.1 pttp -57.33 -39.87 76.79 Favored 'General case' 0 C--O 1.224 -0.248 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.402 -179.706 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 54.5 t0 -51.14 -16.35 0.47 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.843 0.354 . . . . 0.0 111.356 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -75.38 -54.76 5.41 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.721 -0.752 . . . . 0.0 111.925 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.532 HD22 ' N ' ' A' ' 49' ' ' LEU . 2.8 mm? -87.25 -13.0 45.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.878 0.37 . . . . 0.0 110.093 179.4 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -77.86 -43.15 31.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.882 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.2 tpp85 -49.76 -35.32 21.93 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.184 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 34.2 m -87.7 -29.99 5.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.228 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 49.08 48.71 31.36 Favored Glycine 0 C--N 1.332 0.354 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.91 179.501 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 42.1 t -86.33 -95.78 0.08 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.699 0.285 . . . . 0.0 110.835 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -135.88 66.61 1.5 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.073 0.463 . . . . 0.0 110.249 179.756 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.672 HD13 ' H ' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -106.13 177.69 4.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.566 -179.515 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.531 ' O ' HG13 ' A' ' 61' ' ' ILE . 73.0 mtp -125.3 108.02 11.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.223 179.496 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.549 ' HA ' HD12 ' A' ' 61' ' ' ILE . 88.8 tt0 -56.34 -14.72 3.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.154 0.502 . . . . 0.0 109.975 179.453 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 45.2 t -87.63 -41.13 13.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.86 179.575 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.519 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 44.5 tt0 -67.45 -34.12 76.55 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.557 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.726 HG21 ' HB3' ' A' ' 46' ' ' LYS . 59.0 mt -52.88 -51.66 35.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.503 ' HB3' ' CZ ' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -79.67 -33.58 41.08 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.897 -179.89 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.411 ' N ' ' HD3' ' A' ' 62' ' ' LYS . 85.8 m-20 -68.23 -17.86 64.42 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.057 0.456 . . . . 0.0 110.336 179.041 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.519 ' HB2' ' O ' ' A' ' 60' ' ' GLU . 1.1 tm? -85.51 -53.46 5.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.441 -179.607 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.588 ' HB3' HD22 ' A' ' 45' ' ' LEU . 4.2 ppp? -66.97 -26.02 66.61 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.247 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -62.78 -36.05 81.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.105 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -92.64 -28.7 16.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.417 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -74.75 -4.9 40.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.131 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -126.68 103.72 7.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.554 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 80.9 mt -83.6 -24.98 7.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.596 -179.486 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.563 ' C ' ' HD3' ' A' ' 72' ' ' LYS . 59.6 m-20 -71.47 6.62 1.73 Allowed 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 111.729 0.27 . . . . 0.0 111.729 -179.634 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.563 ' HD3' ' C ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER 32.36 43.29 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 122.755 0.422 . . . . 0.0 111.716 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 80.4 p -104.59 -3.33 23.96 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.841 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 82.65 0.72 90.27 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.594 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.786 HG22 HG22 ' A' ' 41' ' ' THR . 70.1 p -125.11 126.17 44.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.705 0.288 . . . . 0.0 110.637 179.715 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.569 HG23 ' HB ' ' A' ' 40' ' ' ILE . 6.3 tt -93.22 122.67 44.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.998 0.428 . . . . 0.0 111.603 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.426 ' HA ' ' HZ ' ' A' ' 29' ' ' PHE . 10.3 p-10 -121.01 163.1 18.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.659 179.401 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.548 ' HE2' HD23 ' A' ' 25' ' ' LEU . 0.1 OUTLIER -57.01 -13.7 2.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.485 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -79.91 -30.67 42.22 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.372 179.742 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.523 ' OE1' ' HA ' ' A' ' 76' ' ' ILE . 46.7 mt-10 -86.42 -54.97 4.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.719 0.295 . . . . 0.0 110.628 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -38.13 -39.8 0.44 Allowed 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.73 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 78' ' ' TYR . 75.1 mt . . . . . 0 C--N 1.331 -0.234 0 CA-C-O 120.816 0.341 . . . . 0.0 110.864 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.709 ' O ' HD23 ' A' ' 25' ' ' LEU . 10.5 tt . . . . . 0 CA--C 1.528 0.134 0 N-CA-C 111.731 0.271 . . . . 0.0 111.731 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.566 ' NZ ' ' HB3' ' A' ' 26' ' ' LYS . 8.5 mtpm? -89.03 -68.12 0.79 Allowed 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -179.157 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -89.64 -68.26 0.79 Allowed 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 114.409 1.263 . . . . 0.0 114.409 -177.339 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.476 ' O ' HG13 ' A' ' 32' ' ' ILE . 95.3 mt -69.4 -68.21 0.42 Allowed 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 114.48 1.289 . . . . 0.0 114.48 -176.239 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.653 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 13.7 t80 -36.89 -46.18 0.61 Allowed 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 -176.877 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.515 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 59.1 mtpt -62.66 -50.81 69.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.973 0.416 . . . . 0.0 111.02 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 54.3 ttp -64.69 -14.45 58.49 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.181 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.476 HG13 ' O ' ' A' ' 28' ' ' LEU . 67.3 mt -92.9 -59.01 3.25 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.314 0 CA-C-O 121.232 0.539 . . . . 0.0 110.459 -179.602 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.612 ' HA ' HG13 ' A' ' 40' ' ' ILE . 8.2 t0 -62.05 98.56 0.11 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.96 179.645 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 82.3 m -58.68 -10.24 2.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.437 0.637 . . . . 0.0 109.305 179.273 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.662 ' OD1' ' HB3' ' A' ' 37' ' ' SER . 10.5 t0 -108.78 -19.43 13.42 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.064 -0.971 . . . . 0.0 111.408 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 74.6 m-80 52.17 15.17 0.41 Allowed 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 120.806 -0.358 . . . . 0.0 111.095 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.662 ' HB3' ' OD1' ' A' ' 35' ' ' ASP . 98.2 p -74.42 -17.92 60.73 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-O 121.493 0.663 . . . . 0.0 109.412 179.651 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.515 ' HA2' ' HE2' ' A' ' 29' ' ' PHE . . . 111.63 4.69 26.44 Favored Glycine 0 N--CA 1.452 -0.282 0 CA-C-N 114.904 -1.043 . . . . 0.0 113.009 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 61.1 p -147.65 131.6 17.17 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.381 -0.229 . . . . 0.0 110.381 179.382 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.612 HG13 ' HA ' ' A' ' 33' ' ' ASP . 2.5 mp -104.38 133.35 48.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.828 0.347 . . . . 0.0 111.631 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.546 HG22 ' OG1' ' A' ' 75' ' ' THR . 52.8 p -127.96 140.59 51.9 Favored 'General case' 0 C--O 1.218 -0.564 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 178.564 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -34.52 -49.13 0.39 Allowed 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 123.099 0.56 . . . . 0.0 112.177 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -56.39 -43.46 79.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.012 0.434 . . . . 0.0 110.518 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.454 ' HG3' ' OG1' ' A' ' 41' ' ' THR . 25.7 mt-10 -85.26 -20.08 30.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.05 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.584 HD13 HG21 ' A' ' 40' ' ' ILE . 55.3 tp -67.41 -65.23 0.71 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.665 -178.859 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.686 ' HB3' HG21 ' A' ' 61' ' ' ILE . 14.7 ptmm? -56.55 -33.32 66.01 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.349 -179.327 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.68 ' HA ' ' HG2' ' A' ' 50' ' ' LYS . 50.2 t0 -58.45 -15.5 11.15 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.041 0.448 . . . . 0.0 110.903 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.527 ' O ' HG23 ' A' ' 52' ' ' VAL . . . -91.29 -39.38 5.69 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.973 -0.632 . . . . 0.0 112.101 -179.621 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.524 HD13 HD13 ' A' ' 56' ' ' LEU . 91.5 mt -90.46 -13.45 34.78 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.879 0.371 . . . . 0.0 110.529 179.64 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.68 ' HG2' ' HA ' ' A' ' 47' ' ' ASP . 19.9 ptmt -86.51 -43.33 12.83 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.072 179.686 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.515 ' NE ' ' HA ' ' A' ' 51' ' ' ARG . 6.2 tpm_? -61.09 -15.69 35.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.191 179.407 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 48' ' ' GLY . 94.0 t -77.53 -31.67 17.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.036 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 52.45 48.2 55.29 Favored Glycine 0 C--N 1.33 0.237 0 C-N-CA 120.99 -0.624 . . . . 0.0 112.912 179.48 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 42.7 p -93.24 -96.85 0.14 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.718 0.259 . . . . 0.0 110.944 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -144.93 22.31 1.58 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.997 0.427 . . . . 0.0 110.662 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.524 HD13 HD13 ' A' ' 49' ' ' LEU . 93.1 mt -91.64 147.93 22.64 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 121.366 0.603 . . . . 0.0 112.027 -179.55 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.411 ' C ' ' H ' ' A' ' 59' ' ' SER . 50.6 ttm -111.89 137.07 50.37 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.001 -1.0 . . . . 0.0 109.477 179.023 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -53.29 -10.5 0.22 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.734 -179.568 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.411 ' H ' ' C ' ' A' ' 57' ' ' MET . 80.9 p -76.47 -31.41 57.76 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.345 -179.344 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.422 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 50.3 mt-10 -74.83 -23.69 58.49 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.693 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.686 HG21 ' HB3' ' A' ' 46' ' ' LYS . 37.9 mm -64.16 -20.27 26.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.968 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.612 ' NZ ' ' HB3' ' A' ' 62' ' ' LYS . 0.1 OUTLIER -73.2 -65.12 0.85 Allowed 'General case' 0 CA--C 1.513 -0.474 0 CA-C-N 116.152 -0.477 . . . . 0.0 109.765 179.479 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -57.31 -17.19 11.01 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 178.076 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.422 ' HB2' ' O ' ' A' ' 60' ' ' GLU . 36.4 tp -81.0 -42.82 20.56 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.019 -0.991 . . . . 0.0 110.794 179.633 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.483 ' HB2' ' CD2' ' A' ' 45' ' ' LEU . 11.7 tmm? -88.28 -60.65 1.91 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.157 -179.552 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -44.42 -27.83 0.49 Allowed 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.102 -0.499 . . . . 0.0 112.086 -179.245 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -89.17 -44.47 10.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.681 0.277 . . . . 0.0 111.554 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.87 -28.17 69.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.409 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.66 ' HB2' ' HB ' ' A' ' 76' ' ' ILE . 8.1 t70 -126.39 96.75 4.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.21 0.528 . . . . 0.0 110.864 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.509 ' O ' ' HG3' ' A' ' 72' ' ' LYS . 64.4 mt -84.09 -10.32 11.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.606 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -58.81 -9.11 1.59 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.005 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.509 ' HG3' ' O ' ' A' ' 70' ' ' ILE . 41.4 mttp 66.66 0.67 1.92 Allowed 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.944 179.723 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 79.8 p -80.03 -8.19 59.24 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.222 -179.617 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 78.24 -8.46 39.14 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.644 -0.789 . . . . 0.0 111.877 -179.567 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.546 ' OG1' HG22 ' A' ' 41' ' ' THR . 69.3 m -116.52 127.53 54.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.643 0.259 . . . . 0.0 110.407 179.741 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.66 ' HB ' ' HB2' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -97.72 135.62 31.53 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 CA-C-O 121.305 0.574 . . . . 0.0 111.639 -179.889 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.567 ' HB3' ' HG3' ' A' ' 80' ' ' GLU . 9.7 t70 -109.77 159.73 16.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 114.848 -1.069 . . . . 0.0 109.825 179.215 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.606 ' O ' HG22 ' A' ' 82' ' ' ILE . 34.2 m-85 -45.89 -50.62 14.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.802 0.334 . . . . 0.0 111.806 -179.357 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -72.62 -14.57 77.73 Favored Glycine 0 C--N 1.331 0.258 0 CA-C-N 115.944 -0.571 . . . . 0.0 114.098 -178.341 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.567 ' HG3' ' HB3' ' A' ' 77' ' ' ASP . 93.1 mt-10 -81.81 -53.12 6.44 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.034 0.445 . . . . 0.0 110.726 -179.678 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.528 ' HB2' HD11 ' A' ' 76' ' ' ILE . 32.5 t80 -59.41 -30.31 68.37 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.8 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.606 HG22 ' O ' ' A' ' 78' ' ' TYR . 12.5 tt . . . . . 0 CA--C 1.531 0.245 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -178.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.637 HD13 ' O ' ' A' ' 25' ' ' LEU . 3.3 tm? . . . . . 0 N--CA 1.464 0.257 0 CA-C-O 120.691 0.281 . . . . 0.0 111.437 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.442 ' O ' ' HG2' ' A' ' 30' ' ' LYS . 28.0 tptp -85.45 -67.98 0.76 Allowed 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 -179.041 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.486 ' O ' ' HB2' ' A' ' 31' ' ' MET . 48.6 mt-10 -89.92 -68.39 0.78 Allowed 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 114.141 1.163 . . . . 0.0 114.141 -177.608 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.405 ' O ' HG12 ' A' ' 32' ' ' ILE . 1.5 tm? -60.15 -68.33 0.3 Allowed 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 113.029 0.751 . . . . 0.0 113.029 -176.859 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.619 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 12.6 t80 -45.25 -45.43 11.92 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -177.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.486 ' HG3' ' N ' ' A' ' 31' ' ' MET . 0.1 OUTLIER -66.75 -43.22 84.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.941 0.4 . . . . 0.0 110.681 -179.397 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.486 ' HB2' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -63.3 -16.2 59.6 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.798 -179.635 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.405 HG12 ' O ' ' A' ' 28' ' ' LEU . 48.1 mm -92.75 -45.85 14.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.568 179.774 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.609 ' HB2' HD11 ' A' ' 40' ' ' ILE . 57.5 t0 -66.09 117.09 7.92 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.554 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 63.5 m -65.7 -10.45 36.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.401 0.619 . . . . 0.0 109.352 179.181 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 37' ' ' SER . 59.0 m-20 -111.92 -10.14 13.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.394 179.752 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 11.4 p-10 40.91 26.98 0.03 OUTLIER 'General case' 0 C--O 1.231 0.129 0 CA-C-O 121.069 0.461 . . . . 0.0 110.39 -179.297 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.418 ' N ' ' O ' ' A' ' 35' ' ' ASP . 77.2 p -86.27 -16.68 36.83 Favored 'General case' 0 CA--C 1.513 -0.466 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 179.467 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 109.21 13.36 17.75 Favored Glycine 0 N--CA 1.45 -0.39 0 CA-C-N 114.587 -1.188 . . . . 0.0 112.463 179.589 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.717 ' HB ' HG21 ' A' ' 75' ' ' THR . 43.6 p -147.62 131.47 17.07 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.675 0.274 . . . . 0.0 110.336 179.632 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.609 HD11 ' HB2' ' A' ' 33' ' ' ASP . 2.0 mp -108.02 146.75 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.874 0.368 . . . . 0.0 111.13 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.486 ' O ' ' N ' ' A' ' 45' ' ' LEU . 11.7 m -132.99 159.9 38.66 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.767 178.788 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -34.99 -60.64 0.45 Allowed 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 123.465 0.706 . . . . 0.0 112.505 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -52.29 -39.52 60.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.938 0.399 . . . . 0.0 111.08 -179.351 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -88.21 -14.19 39.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.096 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.486 ' N ' ' O ' ' A' ' 41' ' ' THR . 48.6 tp -71.61 -58.98 3.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.299 -179.225 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.456 ' HB3' HG21 ' A' ' 61' ' ' ILE . 21.7 ptmt -56.53 -28.05 59.06 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.307 -179.371 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.703 ' HA ' ' HB3' ' A' ' 50' ' ' LYS . 36.0 t70 -52.3 -16.91 0.95 Allowed 'General case' 0 C--N 1.332 -0.185 0 O-C-N 123.212 0.32 . . . . 0.0 111.175 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -69.75 -52.55 19.63 Favored Glycine 0 N--CA 1.45 -0.412 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.114 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 90.1 mt -90.25 -12.34 38.22 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 178.639 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.703 ' HB3' ' HA ' ' A' ' 47' ' ' ASP . 23.4 tptm -82.9 -25.48 32.42 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.487 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.418 ' HG3' HH11 ' A' ' 51' ' ' ARG . 39.0 ttt85 -73.1 -23.71 60.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.839 179.356 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 12.3 p -98.85 -29.22 3.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.945 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 53.84 48.81 60.79 Favored Glycine 0 C--N 1.332 0.358 0 C-N-CA 121.009 -0.615 . . . . 0.0 113.154 179.153 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 71.2 m -97.58 -104.98 0.18 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.757 0.278 . . . . 0.0 111.032 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -120.71 74.74 1.08 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.927 0.394 . . . . 0.0 110.735 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.841 ' H ' HD23 ' A' ' 56' ' ' LEU . 0.9 OUTLIER -108.73 166.26 10.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.294 179.804 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.421 ' O ' HG12 ' A' ' 61' ' ' ILE . 84.8 mmm -126.28 110.35 13.3 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.043 179.053 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -55.09 -15.25 2.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.557 0.694 . . . . 0.0 109.451 179.14 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.412 ' N ' ' C ' ' A' ' 57' ' ' MET . 78.5 p -87.86 -39.22 15.0 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 114.66 -1.155 . . . . 0.0 110.992 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 43.4 tp10 -66.19 -32.66 74.23 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.183 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.456 HG21 ' HB3' ' A' ' 46' ' ' LYS . 43.3 mm -55.52 -23.74 14.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.689 179.673 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.437 ' C ' ' N ' ' A' ' 64' ' ' LEU . 12.5 mmmm -73.24 -63.17 1.24 Allowed 'General case' 0 CA--C 1.513 -0.478 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 178.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.764 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 37.4 t70 -55.93 -16.9 5.35 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 177.369 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.437 ' N ' ' C ' ' A' ' 62' ' ' LYS . 33.5 tp -87.46 -32.94 19.22 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 114.668 -1.151 . . . . 0.0 110.643 179.549 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 9.0 tmm? -88.7 -69.58 0.7 Allowed 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 -178.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -70.67 -54.8 10.5 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -178.198 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.764 ' HB3' ' O ' ' A' ' 63' ' ' ASP . . . -50.7 -45.6 58.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.604 0.24 . . . . 0.0 111.583 -179.28 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.18 -62.22 1.67 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.871 0.367 . . . . 0.0 110.719 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.519 ' HA ' ' HB3' ' A' ' 80' ' ' GLU . 7.5 t70 -66.96 104.84 1.47 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.616 179.423 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 9.8 tp -83.52 -16.75 11.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.891 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -63.19 -5.83 3.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.352 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 41.26 26.71 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.423 -179.693 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 79.1 p -87.73 2.09 52.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.876 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 77.17 -11.61 15.66 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.687 -0.768 . . . . 0.0 111.799 -179.583 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.717 HG21 ' HB ' ' A' ' 39' ' ' THR . 69.8 m -117.66 134.33 55.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.685 0.279 . . . . 0.0 110.375 179.692 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.456 HG23 ' HB ' ' A' ' 40' ' ' ILE . 15.0 tt -99.03 131.05 47.0 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 CA-C-O 121.11 0.481 . . . . 0.0 111.211 -179.769 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.442 ' H ' ' CG ' ' A' ' 80' ' ' GLU . 10.3 t70 -117.98 157.93 25.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.028 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -52.57 -26.31 12.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.782 0.325 . . . . 0.0 111.012 -179.438 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -77.77 -30.97 51.03 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.936 -0.65 . . . . 0.0 112.753 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.519 ' HB3' ' HA ' ' A' ' 69' ' ' ASP . 67.1 mm-40 -56.83 -47.77 79.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.65 0.262 . . . . 0.0 110.671 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -43.4 -41.41 4.18 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.723 179.447 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 47.6 mm . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.197 -179.768 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.448 ' HA ' ' HB2' ' A' ' 29' ' ' PHE . 4.5 mm? . . . . . 0 N--CA 1.465 0.321 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -90.2 -69.65 0.71 Allowed 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.803 -0.359 . . . . 0.0 111.927 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.716 ' HG3' ' H ' ' A' ' 28' ' ' LEU . 7.4 pt-20 -91.64 -67.52 0.85 Allowed 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 113.356 0.873 . . . . 0.0 113.356 -179.144 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.716 ' H ' ' HG3' ' A' ' 27' ' ' GLU . 58.1 tp -46.09 -45.78 16.54 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 113.361 0.874 . . . . 0.0 113.361 -177.57 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.531 ' CZ ' ' HB2' ' A' ' 78' ' ' TYR . 2.4 m-85 -76.52 -65.6 0.91 Allowed 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -178.264 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.557 ' HA ' ' OD1' ' A' ' 36' ' ' ASN . 14.1 mmmm -43.47 -33.13 1.02 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.463 -179.193 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -90.56 -35.06 15.26 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -179.385 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.565 ' HB ' ' O ' ' A' ' 28' ' ' LEU . 24.0 mm -94.92 -65.6 1.11 Allowed 'Isoleucine or valine' 0 CA--C 1.511 -0.542 0 CA-C-O 121.263 0.554 . . . . 0.0 110.788 -179.781 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.628 ' HB2' HD11 ' A' ' 40' ' ' ILE . 31.2 t70 -53.2 94.76 0.01 OUTLIER 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.048 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 65.3 m -58.76 -10.37 2.32 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.557 0.694 . . . . 0.0 109.246 179.622 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.519 ' OD1' ' HB3' ' A' ' 37' ' ' SER . 10.4 t0 -95.86 -24.9 16.23 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.882 179.733 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.557 ' OD1' ' HA ' ' A' ' 30' ' ' LYS . 51.5 m-20 49.85 20.95 0.61 Allowed 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.602 -179.645 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.519 ' HB3' ' OD1' ' A' ' 35' ' ' ASP . 79.1 p -88.53 -19.53 26.26 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 121.154 0.502 . . . . 0.0 110.314 -179.822 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.458 ' HA2' ' HD2' ' A' ' 29' ' ' PHE . . . 111.53 5.16 26.33 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.46 -0.876 . . . . 0.0 113.058 179.66 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 76.0 p -142.82 130.64 21.57 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 179.228 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.628 HD11 ' HB2' ' A' ' 33' ' ' ASP . 2.0 mp -104.97 139.79 24.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.946 0.403 . . . . 0.0 111.649 -179.516 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.549 ' O ' ' HG2' ' A' ' 44' ' ' GLU . 67.2 p -129.08 144.02 51.06 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.958 178.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.702 ' HB2' ' HG3' ' A' ' 65' ' ' MET . 17.4 t80 -34.74 -47.88 0.36 Allowed 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -179.516 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -50.61 -48.72 57.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.9 0.381 . . . . 0.0 110.877 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.549 ' HG2' ' O ' ' A' ' 41' ' ' THR . 9.7 pt-20 -89.43 -16.08 31.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.566 -179.739 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.443 HD13 HG21 ' A' ' 40' ' ' ILE . 44.2 tp -62.56 -45.27 93.71 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.764 0.316 . . . . 0.0 110.925 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.768 ' HG2' HG21 ' A' ' 61' ' ' ILE . 52.7 mtmt -47.27 -53.77 12.59 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.967 -179.672 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.649 ' HA ' ' HB3' ' A' ' 50' ' ' LYS . 28.9 m-20 -42.17 -23.57 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.331 0 O-C-N 123.352 0.408 . . . . 0.0 112.067 -179.306 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.2 -55.99 18.29 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.615 -0.802 . . . . 0.0 111.615 179.383 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.51 HD22 ' N ' ' A' ' 49' ' ' LEU . 3.1 mm? -90.42 -12.4 37.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.116 0.484 . . . . 0.0 110.13 179.181 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.649 ' HB3' ' HA ' ' A' ' 47' ' ' ASP . 4.3 tmmm? -68.6 -46.3 69.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.65 -179.773 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.62 ' HG2' ' O ' ' A' ' 47' ' ' ASP . 36.3 mmt180 -41.54 -42.05 2.3 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.969 -179.602 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 35.9 m -89.86 -31.62 5.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 111.618 0.229 . . . . 0.0 111.618 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 38.76 48.41 2.44 Favored Glycine 0 C--N 1.335 0.514 0 C-N-CA 121.201 -0.523 . . . . 0.0 113.015 179.667 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 48.0 t -65.9 -91.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.747 0.308 . . . . 0.0 111.153 -179.571 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.461 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 39.0 tp10 -136.96 17.84 3.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.158 0.504 . . . . 0.0 110.208 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.509 HD12 ' N ' ' A' ' 56' ' ' LEU . 5.7 mp -81.53 124.84 29.83 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.521 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 16.0 tpt -79.88 151.34 30.23 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.263 -0.88 . . . . 0.0 109.597 179.098 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.436 ' N ' ' OE1' ' A' ' 58' ' ' GLU . 0.4 OUTLIER -56.8 -10.43 1.05 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.587 -179.641 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 49.1 m -78.16 -22.77 48.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.858 0.361 . . . . 0.0 111.075 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.464 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 16.8 tp10 -78.06 -16.71 57.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.916 179.729 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.768 HG21 ' HG2' ' A' ' 46' ' ' LYS . 26.3 mm -90.59 -46.12 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.761 -179.428 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.63 ' HD3' ' N ' ' A' ' 63' ' ' ASP . 0.0 OUTLIER -77.23 -44.71 29.0 Favored 'General case' 0 C--N 1.333 -0.116 0 N-CA-C 111.711 0.263 . . . . 0.0 111.711 -178.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.63 ' N ' ' HD3' ' A' ' 62' ' ' LYS . 33.9 t70 -62.84 -28.66 70.17 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-O 121.045 0.45 . . . . 0.0 110.283 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.464 ' HB2' ' O ' ' A' ' 60' ' ' GLU . 4.5 mm? -87.19 -25.62 23.96 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.779 179.568 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.702 ' HG3' ' HB2' ' A' ' 42' ' ' PHE . 14.7 tmm? -67.66 -46.4 72.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.533 179.498 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -79.37 -21.24 46.03 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.184 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -82.01 -27.41 33.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.324 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.486 ' HB1' HD12 ' A' ' 76' ' ' ILE . . . -77.05 -56.25 4.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.171 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.43 ' HB2' ' HB ' ' A' ' 76' ' ' ILE . 25.1 t70 -86.31 111.54 20.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.049 0.452 . . . . 0.0 110.795 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.511 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 9.4 tp -83.64 -19.25 9.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.275 -179.554 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -62.53 -5.55 2.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.193 -179.533 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.511 ' HG2' ' O ' ' A' ' 70' ' ' ILE . 33.8 mmtp 46.87 31.23 1.41 Allowed 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.568 179.302 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 77.8 p -100.74 3.12 41.97 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.176 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 78.99 -15.98 9.47 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.306 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.454 HG22 HG22 ' A' ' 41' ' ' THR . 80.7 p -113.62 128.18 56.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.651 0.262 . . . . 0.0 110.54 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.544 HD11 ' HB2' ' A' ' 81' ' ' PHE . 9.7 tt -99.98 140.04 20.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.316 0 CA-C-O 120.884 0.374 . . . . 0.0 111.346 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -115.0 152.91 31.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.681 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.531 ' HB2' ' CZ ' ' A' ' 29' ' ' PHE . 31.6 t80 -54.05 -35.97 62.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.39 -179.683 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -70.31 -25.04 76.23 Favored Glycine 0 CA--C 1.519 0.296 0 C-N-CA 120.954 -0.641 . . . . 0.0 113.54 -179.108 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -88.45 -46.47 9.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 117.005 0.403 . . . . 0.0 111.147 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.544 ' HB2' HD11 ' A' ' 76' ' ' ILE . 28.5 t80 -46.69 -38.88 10.48 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.442 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 72.2 mt . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.238 -179.928 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 15.9 m80 . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.846 0.355 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.1 p -161.52 179.23 8.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.979 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.0 p -148.35 11.82 0.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.814 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.74 -8.57 60.62 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.579 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 12.6 m80 -125.16 -35.98 2.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.909 0.385 . . . . 0.0 110.782 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 62.2 mt -91.24 91.89 3.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.749 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -162.43 -74.34 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.795 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -100.42 148.61 24.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.693 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.552 ' O ' ' HG3' ' A' ' 13' ' ' MET . 30.7 m-20 -61.53 -18.29 58.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.99 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 63.4 t0 -59.16 -37.82 78.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.83 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -84.64 -18.7 34.58 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.602 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 31.1 m80 -80.08 -18.77 49.09 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.149 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.552 ' HG3' ' O ' ' A' ' 9' ' ' ASP . 67.1 mtt -74.53 -26.18 59.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.949 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -95.48 -2.82 47.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.376 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -126.2 26.47 6.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.082 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.515 ' NE ' ' HA ' ' A' ' 13' ' ' MET . 14.9 ptp180 -103.41 -10.83 18.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.147 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.811 ' H ' HD23 ' A' ' 17' ' ' LEU . 2.5 pt? -101.76 150.8 22.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.892 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 76.3 p -90.13 108.37 19.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -81.6 -51.97 7.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.044 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.491 ' HG3' ' OE1' ' A' ' 21' ' ' GLU . 4.7 pt-20 -89.97 -63.16 1.32 Allowed 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.755 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.491 ' OE1' ' HG3' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -176.03 -0.43 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.699 0.285 . . . . 0.0 110.851 179.397 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.65 HD13 ' O ' ' A' ' 22' ' ' ILE . 0.0 OUTLIER -47.67 -27.2 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.95 -179.362 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -53.14 -65.93 3.06 Favored Glycine 0 C--N 1.331 0.254 0 C-N-CA 120.587 -0.816 . . . . 0.0 113.109 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -95.87 -7.41 58.74 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.526 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.578 ' HA ' ' HB3' ' A' ' 29' ' ' PHE . 58.3 tp -45.62 -22.52 0.17 Allowed 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -179.355 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.46 ' O ' ' HD3' ' A' ' 30' ' ' LYS . 54.8 mtmt -90.75 -65.94 0.97 Allowed 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -178.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -88.8 -68.38 0.77 Allowed 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 -177.222 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.43 ' O ' HG13 ' A' ' 32' ' ' ILE . 93.5 mt -66.02 -68.13 0.39 Allowed 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 113.809 1.041 . . . . 0.0 113.809 -176.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.578 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 3.4 t80 -37.93 -50.16 1.28 Allowed 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -177.624 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.517 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 29.1 mtpp -62.76 -45.68 91.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.927 0.394 . . . . 0.0 110.928 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 52.6 ttm -64.48 -15.21 60.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.361 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.43 HG13 ' O ' ' A' ' 28' ' ' LEU . 66.1 mt -92.74 -47.79 13.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.06 0.457 . . . . 0.0 110.725 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.636 ' HA ' HG12 ' A' ' 40' ' ' ILE . 57.6 t0 -64.78 112.17 3.12 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.584 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 64.6 m -61.82 -10.53 9.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.41 0.624 . . . . 0.0 109.382 179.18 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.501 ' OD1' ' HB3' ' A' ' 37' ' ' SER . 10.1 t0 -96.65 -24.95 15.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.705 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 55.89 18.8 3.2 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-O 120.863 0.363 . . . . 0.0 110.238 -179.519 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.501 ' HB3' ' OD1' ' A' ' 35' ' ' ASP . 79.9 p -88.73 -20.35 24.91 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-O 121.153 0.501 . . . . 0.0 110.106 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 111.39 12.98 13.88 Favored Glycine 0 N--CA 1.451 -0.317 0 CA-C-N 115.437 -0.802 . . . . 0.0 112.593 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.579 ' HB ' HG21 ' A' ' 75' ' ' THR . 63.9 p -150.91 130.72 13.23 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 179.415 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.636 HG12 ' HA ' ' A' ' 33' ' ' ASP . 89.8 mt -105.62 139.99 25.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.775 0.322 . . . . 0.0 111.11 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.416 ' O ' ' N ' ' A' ' 44' ' ' GLU . 82.3 p -129.28 143.11 50.72 Favored 'General case' 0 C--O 1.221 -0.406 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.069 179.211 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.737 ' HB2' ' HG2' ' A' ' 65' ' ' MET . 21.8 t80 -35.55 -53.51 0.68 Allowed 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 123.05 0.54 . . . . 0.0 112.239 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -47.09 -40.22 14.79 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.149 0.499 . . . . 0.0 110.414 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.497 ' OE2' ' HB2' ' A' ' 35' ' ' ASP . 41.0 mt-10 -87.13 -30.88 20.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.766 179.54 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.554 HD22 ' SD ' ' A' ' 65' ' ' MET . 56.1 tp -51.94 -57.12 10.37 Favored 'General case' 0 N--CA 1.457 -0.105 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.123 -179.428 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.499 ' CA ' HG21 ' A' ' 61' ' ' ILE . 8.4 ptpp? -51.55 -42.77 62.06 Favored 'General case' 0 C--O 1.225 -0.219 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.421 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -49.62 -16.75 0.25 Allowed 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.423 ' O ' HG23 ' A' ' 52' ' ' VAL . . . -74.16 -57.9 4.56 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.086 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.502 HD22 ' N ' ' A' ' 49' ' ' LEU . 3.1 mm? -87.62 -12.84 44.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.897 0.38 . . . . 0.0 110.499 179.55 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.417 ' HD3' ' OE2' ' A' ' 58' ' ' GLU . 22.9 tptm -70.36 -53.79 15.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.525 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 39.1 ttm180 -59.95 -17.73 40.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.564 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 48' ' ' GLY . 62.4 t -70.04 -31.74 48.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.813 179.694 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 44.45 48.36 8.62 Favored Glycine 0 C--N 1.332 0.348 0 CA-C-N 116.021 -0.536 . . . . 0.0 113.194 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 37.9 t -91.28 -95.63 0.12 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.696 0.284 . . . . 0.0 110.836 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.95 23.67 1.08 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.954 0.406 . . . . 0.0 110.356 179.638 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 71.0 mt -90.9 160.05 15.9 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.772 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 20.0 ptm -117.18 125.93 51.98 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.168 179.167 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.495 ' HA ' HG12 ' A' ' 61' ' ' ILE . 4.9 mm-40 -54.56 -9.6 0.33 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.62 -179.64 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.473 ' O ' ' HG3' ' A' ' 62' ' ' LYS . 53.5 m -69.8 -26.82 64.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.829 -179.66 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.461 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 51.1 mt-10 -83.86 -21.32 32.04 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.278 179.711 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.499 HG21 ' CA ' ' A' ' 46' ' ' LYS . 39.8 mm -66.98 -30.43 49.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.008 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.699 ' HB2' ' NZ ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -85.29 -36.33 20.92 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.696 179.906 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.549 ' N ' ' HD3' ' A' ' 62' ' ' LYS . 58.8 m-20 -73.91 -23.24 59.52 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.181 0.515 . . . . 0.0 109.722 178.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.56 ' O ' HD23 ' A' ' 64' ' ' LEU . 4.9 tt -87.12 -39.14 15.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.615 179.475 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.737 ' HG2' ' HB2' ' A' ' 42' ' ' PHE . 14.6 tpt -63.2 -45.11 93.26 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.946 179.523 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -65.79 -42.6 90.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.13 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.78 -30.75 67.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.278 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.73 -62.63 1.32 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.111 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -88.96 98.48 11.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.122 0.486 . . . . 0.0 110.413 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.516 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 14.3 tt -83.94 -14.79 11.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.846 -179.631 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.502 ' OD2' ' HB3' ' A' ' 73' ' ' SER . 36.6 t70 -64.17 -5.81 5.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.6 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.516 ' HG2' ' O ' ' A' ' 70' ' ' ILE . 31.0 mmmt 44.25 29.05 0.33 Allowed 'General case' 0 C--O 1.232 0.151 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.558 179.433 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.502 ' HB3' ' OD2' ' A' ' 71' ' ' ASP . 84.5 p -85.11 -3.67 58.88 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.717 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 85.02 -11.69 59.66 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.718 -0.753 . . . . 0.0 111.675 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.579 HG21 ' HB ' ' A' ' 39' ' ' THR . 86.3 m -129.62 127.82 41.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.788 0.328 . . . . 0.0 110.367 179.712 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.534 HG23 ' HB ' ' A' ' 40' ' ' ILE . 9.1 tt -90.3 140.25 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.734 -179.542 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.844 ' HB2' ' HG2' ' A' ' 80' ' ' GLU . 54.1 m-20 -121.87 163.27 19.51 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.002 179.111 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.402 ' HB3' ' HB2' ' A' ' 21' ' ' GLU . 19.0 t80 -61.26 -30.03 70.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.846 0.355 . . . . 0.0 110.784 -179.74 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -84.25 -14.09 72.41 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 121.029 -0.605 . . . . 0.0 112.772 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.844 ' HG2' ' HB2' ' A' ' 77' ' ' ASP . 3.9 mm-40 -86.18 -31.07 21.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.91 0.386 . . . . 0.0 110.867 -179.411 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -79.56 -37.52 36.24 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.2 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.61 HD12 ' N ' ' A' ' 83' ' ' ALA . 2.7 pp -68.93 -18.21 22.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.516 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.61 ' N ' HD12 ' A' ' 82' ' ' ILE . . . -51.1 -20.08 1.34 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.66 -179.678 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.47 108.67 0.45 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.842 0.353 . . . . 0.0 111.216 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.852 HG22 HG23 ' A' ' 86' ' ' VAL . 90.6 m -124.85 151.39 45.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.587 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.852 HG23 HG22 ' A' ' 85' ' ' THR . 48.2 t 56.91 84.7 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 78.7 t60 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.285 -0.864 . . . . 0.0 110.937 -179.862 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 21.6 p-80 . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.783 0.325 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.5 m -90.36 164.67 14.24 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.946 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.2 m -86.68 -1.74 57.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.977 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.44 -3.11 32.72 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.582 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -109.94 -60.51 1.78 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.757 0.313 . . . . 0.0 111.019 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 49.6 mm -76.11 89.27 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.914 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -136.02 -71.14 0.46 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.835 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -93.63 -104.16 0.13 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -171.8 20.22 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.748 0.309 . . . . 0.0 110.83 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -95.98 -26.45 15.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.948 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -87.35 -19.0 28.79 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.864 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 77.0 t60 -83.28 -15.69 49.24 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.761 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 63.5 mtt -58.71 -28.33 65.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.101 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.17 -21.21 64.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.011 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -85.45 -21.8 28.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.011 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -72.12 -108.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.83 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.544 ' O ' HD12 ' A' ' 17' ' ' LEU . 3.3 pp -75.88 155.8 34.91 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-O 120.729 0.3 . . . . 0.0 110.815 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 77.9 p -78.75 85.95 4.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.156 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -80.59 -11.14 59.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.531 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -63.89 -18.23 63.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.815 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.645 ' HG3' ' H ' ' A' ' 23' ' ' GLY . 16.2 pt-20 -145.56 -173.0 4.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.862 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.496 ' O ' ' HB3' ' A' ' 26' ' ' LYS . 40.0 pt -56.93 -13.34 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.679 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.645 ' H ' ' HG3' ' A' ' 21' ' ' GLU . . . -38.56 -32.34 0.15 Allowed Glycine 0 CA--C 1.523 0.561 0 N-CA-C 114.459 0.544 . . . . 0.0 114.459 -179.191 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -95.63 -65.45 0.97 Allowed Glycine 0 CA--C 1.521 0.457 0 C-N-CA 120.322 -0.942 . . . . 0.0 114.129 -179.064 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.625 ' HG ' ' H ' ' A' ' 29' ' ' PHE . 26.8 tp -68.92 -6.99 30.77 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -178.357 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.542 ' HE2' ' O ' ' A' ' 23' ' ' GLY . 0.2 OUTLIER -38.93 -29.83 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 -178.756 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -60.46 -55.83 28.78 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.728 0.299 . . . . 0.0 111.078 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.501 ' N ' HD12 ' A' ' 28' ' ' LEU . 6.3 mp -89.58 -57.75 2.77 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -179.438 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.625 ' H ' ' HG ' ' A' ' 25' ' ' LEU . 11.5 t80 -39.57 -41.18 0.98 Allowed 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -178.567 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.401 ' CG ' ' N ' ' A' ' 31' ' ' MET . 14.9 pttp -69.9 -43.15 72.32 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.148 0.499 . . . . 0.0 110.886 -179.207 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.401 ' N ' ' CG ' ' A' ' 30' ' ' LYS . 56.1 ttp -68.27 -21.13 64.82 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.644 -179.05 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.825 HG23 HD11 ' A' ' 40' ' ' ILE . 11.3 tp -93.26 -25.95 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.134 0.493 . . . . 0.0 110.256 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -71.81 118.33 14.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.339 179.651 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.678 ' HB ' ' HB2' ' A' ' 44' ' ' GLU . 91.2 m -57.78 -15.18 7.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.001 0.429 . . . . 0.0 110.34 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.407 ' HB2' ' OE1' ' A' ' 44' ' ' GLU . 55.0 t0 -104.49 -22.63 13.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.049 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 46.1 t30 55.7 15.94 1.78 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.066 0.46 . . . . 0.0 109.942 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 79.3 p -83.5 -18.61 37.89 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.059 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 111.25 10.38 20.26 Favored Glycine 0 N--CA 1.453 -0.227 0 CA-C-N 115.43 -0.805 . . . . 0.0 112.588 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 67.6 p -146.65 131.96 18.52 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.825 HD11 HG23 ' A' ' 32' ' ' ILE . 29.5 mt -104.92 131.67 53.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.846 0.355 . . . . 0.0 111.584 -179.564 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.748 HG22 ' HB ' ' A' ' 75' ' ' THR . 63.0 p -111.74 161.91 15.79 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.035 179.243 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.826 ' HB2' ' HG3' ' A' ' 65' ' ' MET . 15.9 t80 -64.92 -35.56 81.54 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.302 179.452 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -58.74 -45.5 89.52 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.874 179.491 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.678 ' HB2' ' HB ' ' A' ' 34' ' ' THR . 23.6 pt-20 -89.69 -17.74 27.77 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.673 179.528 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.648 HD23 ' HB2' ' A' ' 65' ' ' MET . 49.2 tp -61.44 -53.55 55.0 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.393 -179.222 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.452 ' HG3' ' N ' ' A' ' 47' ' ' ASP . 13.5 ptmm? -48.22 -52.69 19.88 Favored 'General case' 0 C--O 1.225 -0.21 0 CA-C-N 115.724 -0.671 . . . . 0.0 112.048 -179.303 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.452 ' N ' ' HG3' ' A' ' 46' ' ' LYS . 33.1 t70 -49.82 -16.04 0.23 Allowed 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -179.511 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -74.24 -54.78 6.03 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.001 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.578 ' HB3' HD22 ' A' ' 56' ' ' LEU . 2.9 mm? -89.73 -14.46 34.62 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.964 0.411 . . . . 0.0 110.125 179.395 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.432 ' HD3' ' NZ ' ' A' ' 46' ' ' LYS . 63.9 tttp -86.32 -23.29 26.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.137 -179.767 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.436 ' HB2' ' O ' ' A' ' 47' ' ' ASP . 37.0 ttm180 -44.83 -32.52 1.6 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.387 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 35.1 m -101.23 -31.45 3.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.346 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 51.69 48.39 50.24 Favored Glycine 0 C--N 1.332 0.313 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.586 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 49.1 m -68.97 -92.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.709 0.29 . . . . 0.0 111.354 -179.551 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.412 ' O ' ' HG2' ' A' ' 55' ' ' GLU . 41.3 tt0 -122.96 2.09 9.33 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.955 0.407 . . . . 0.0 110.961 -179.508 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.654 ' O ' HD12 ' A' ' 56' ' ' LEU . 3.3 pp -86.92 142.2 28.18 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-O 121.617 0.722 . . . . 0.0 111.871 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 51.4 tpp -106.53 152.24 23.94 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 114.763 -1.108 . . . . 0.0 109.795 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -53.83 -12.85 0.6 Allowed 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.199 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 79.0 p -69.45 -32.81 71.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.009 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.428 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 17.3 tp10 -67.77 -33.09 74.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.068 179.646 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 28.2 mm -62.11 -20.72 24.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.747 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 11.7 mmmm -75.2 -62.61 1.5 Allowed 'General case' 0 CA--C 1.514 -0.428 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 179.152 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.448 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 9.0 t70 -59.65 -17.32 32.95 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 177.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.428 ' HB2' ' O ' ' A' ' 60' ' ' GLU . 38.5 tp -82.8 -41.4 19.17 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.515 179.418 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.826 ' HG3' ' HB2' ' A' ' 42' ' ' PHE . 15.5 tmm? -88.49 -67.41 0.83 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.517 -179.388 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -42.29 -38.68 1.88 Allowed 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.842 -179.278 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' A' ' 63' ' ' ASP . . . -78.33 -41.04 34.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.468 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.772 ' HB1' HD12 ' A' ' 76' ' ' ILE . . . -56.27 -62.09 1.95 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.909 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.563 ' HB2' ' OD1' ' A' ' 71' ' ' ASP . 8.1 p-10 -97.03 111.49 23.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.589 179.444 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.549 ' O ' ' HG3' ' A' ' 72' ' ' LYS . 8.9 tp -84.05 -21.03 8.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.012 -179.472 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.563 ' OD1' ' HB2' ' A' ' 69' ' ' ASP . 20.8 p-10 -61.42 -15.5 37.58 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.39 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.549 ' HG3' ' O ' ' A' ' 70' ' ' ILE . 38.5 mtpt 56.19 12.85 1.05 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.619 178.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 78.3 p -61.24 -17.78 55.07 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.812 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 106.23 -21.83 32.42 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.735 -0.745 . . . . 0.0 111.957 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.748 ' HB ' HG22 ' A' ' 41' ' ' THR . 4.9 t -133.13 127.77 34.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.751 0.31 . . . . 0.0 110.26 179.603 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.772 HD12 ' HB1' ' A' ' 68' ' ' ALA . 12.6 tt -78.21 133.72 29.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.967 0.413 . . . . 0.0 111.588 -179.384 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 57.9 t0 -110.07 147.35 33.76 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.618 179.485 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.491 ' CE1' ' HB2' ' A' ' 25' ' ' LEU . 22.4 t80 -50.67 -32.97 20.76 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.641 0.258 . . . . 0.0 111.356 -179.362 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.444 ' O ' HG22 ' A' ' 82' ' ' ILE . . . -52.8 -47.0 59.64 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.75 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -88.61 -32.17 18.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.847 0.356 . . . . 0.0 111.342 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -56.91 -21.71 31.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.604 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.444 HG22 ' O ' ' A' ' 79' ' ' GLY . 9.3 tp -56.9 -24.2 19.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.495 -179.638 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -52.2 -57.02 10.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.305 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -135.83 112.14 9.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.123 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 9.7 t -117.68 157.13 27.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.983 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 47.3 t -106.63 126.28 62.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.1 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 8.4 p80 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.255 -0.878 . . . . 0.0 110.869 179.929 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 . . . . . 0 N--CA 1.486 1.325 0 CA-C-O 120.836 0.351 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.7 m -99.48 100.41 11.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.1 p -83.79 -21.76 32.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.868 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.58 70.39 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.523 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 8.2 p80 -118.4 -171.02 2.0 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.751 0.31 . . . . 0.0 111.014 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 47.5 mm -55.61 97.76 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.264 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -169.49 -75.14 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.679 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -166.57 29.89 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.285 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -121.98 -68.5 0.89 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.136 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -75.01 -31.24 61.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.096 -179.68 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -85.65 -12.92 50.15 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.595 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -89.58 -29.46 18.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.727 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 15.7 tpt -72.14 -34.18 68.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.776 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.46 -27.64 57.46 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.661 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -96.15 -87.53 0.29 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.446 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.457 ' HG2' HH11 ' A' ' 16' ' ' ARG . 21.9 ptt-85 -162.38 138.95 7.79 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.891 179.766 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 64.4 tp -95.3 120.03 34.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.605 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.759 ' HB2' ' HA3' ' A' ' 23' ' ' GLY . 46.1 t -119.91 85.03 2.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.225 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.529 ' HG3' ' HG2' ' A' ' 20' ' ' GLU . 22.3 pt-20 -85.76 -51.65 6.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.477 179.321 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.529 ' HG2' ' HG3' ' A' ' 19' ' ' GLU . 66.6 mm-40 -90.79 -65.18 1.04 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.045 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.481 ' HB2' ' HB2' ' A' ' 78' ' ' TYR . 11.4 pt-20 -175.04 -15.94 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.322 -179.695 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.401 HG22 ' O ' ' A' ' 22' ' ' ILE . 47.2 mt -53.07 -15.34 0.71 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 CA-C-N 116.127 -0.488 . . . . 0.0 112.315 -179.337 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.759 ' HA3' ' HB2' ' A' ' 18' ' ' SER . . . -71.02 -65.43 2.47 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.408 -0.901 . . . . 0.0 113.418 -179.181 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -95.26 -5.26 60.68 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.73 -0.748 . . . . 0.0 113.276 -179.184 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.647 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 8.8 tt -50.77 -31.18 16.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.735 0.268 . . . . 0.0 111.238 -179.695 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.559 ' N ' ' HD2' ' A' ' 26' ' ' LYS . 0.2 OUTLIER -90.93 -44.77 9.16 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -178.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -88.46 -68.17 0.78 Allowed 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 -177.498 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 89.5 mt -72.75 -64.22 1.01 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 -177.339 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.534 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 4.0 t80 -40.32 -48.69 2.7 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.662 0.615 . . . . 0.0 112.662 -178.244 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.647 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 30.2 mtpp -65.89 -38.53 89.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.778 0.323 . . . . 0.0 111.049 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 51.5 ttm -73.96 -15.08 61.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.072 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 74.3 mt -92.01 -41.36 12.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.945 0.402 . . . . 0.0 110.7 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.54 ' HA ' HG12 ' A' ' 40' ' ' ILE . 35.5 t70 -65.58 119.83 11.82 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.015 179.53 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 63.7 m -63.66 -12.68 35.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.246 0.546 . . . . 0.0 109.922 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.416 ' C ' ' N ' ' A' ' 37' ' ' SER . 57.2 m-20 -104.71 -17.27 14.7 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.568 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 52.54 16.21 0.6 Allowed 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 -179.238 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.416 ' N ' ' C ' ' A' ' 35' ' ' ASP . 66.6 p -75.99 -20.96 57.42 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.666 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 109.88 9.79 23.91 Favored Glycine 0 N--CA 1.453 -0.217 0 CA-C-N 115.201 -0.909 . . . . 0.0 112.686 179.537 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.431 ' HB ' ' OG1' ' A' ' 75' ' ' THR . 49.6 p -153.43 131.88 12.11 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.043 -0.355 . . . . 0.0 110.043 179.699 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.54 HG12 ' HA ' ' A' ' 33' ' ' ASP . 96.6 mt -103.39 130.71 53.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.822 0.344 . . . . 0.0 111.106 -179.617 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.621 HG22 ' HB ' ' A' ' 75' ' ' THR . 80.7 p -111.69 146.64 37.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.045 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.707 ' HB2' ' HG3' ' A' ' 65' ' ' MET . 24.2 t80 -37.42 -42.75 0.52 Allowed 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 123.176 0.59 . . . . 0.0 112.026 179.532 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -48.22 -47.91 35.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.773 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.492 ' HG3' HG23 ' A' ' 40' ' ' ILE . 10.0 pt-20 -89.31 -28.34 19.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.962 179.78 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.672 HD21 HD11 ' A' ' 64' ' ' LEU . 41.3 tp -42.84 -54.87 3.94 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.897 0.38 . . . . 0.0 111.129 -179.101 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.861 ' HB3' HG21 ' A' ' 61' ' ' ILE . 13.9 ptmm? -49.71 -57.77 6.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.708 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.776 ' HA ' ' HB3' ' A' ' 50' ' ' LYS . 34.7 t70 -55.66 -16.55 4.31 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 122.483 0.313 . . . . 0.0 111.778 -179.65 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -68.98 -52.14 25.36 Favored Glycine 0 N--CA 1.447 -0.596 0 N-CA-C 110.683 -0.967 . . . . 0.0 110.683 179.35 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.608 ' O ' HG22 ' A' ' 52' ' ' VAL . 19.5 tp -90.73 -12.85 35.37 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-O 121.041 0.448 . . . . 0.0 109.838 178.689 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.776 ' HB3' ' HA ' ' A' ' 47' ' ' ASP . 1.1 tmtp? -78.17 -27.51 48.04 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.017 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.441 ' HG3' HH11 ' A' ' 51' ' ' ARG . 32.4 tpt85 -44.67 -30.48 0.94 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.701 179.666 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.608 HG22 ' O ' ' A' ' 49' ' ' LEU . 32.3 m -76.53 -31.8 20.6 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 CA-C-O 120.687 0.28 . . . . 0.0 111.495 -179.737 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 61.86 48.78 81.61 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.844 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 48.5 t -88.43 -97.92 0.09 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.698 0.285 . . . . 0.0 110.939 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -141.0 41.83 1.81 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.96 0.41 . . . . 0.0 110.468 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.453 HD21 ' HG ' ' A' ' 49' ' ' LEU . 6.8 mp -69.54 157.7 36.66 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-O 121.365 0.602 . . . . 0.0 111.636 -179.582 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.536 ' HG3' ' H ' ' A' ' 60' ' ' GLU . 19.5 ptp -126.39 124.52 40.37 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.069 -0.969 . . . . 0.0 109.843 178.78 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.692 ' HA ' HD12 ' A' ' 61' ' ' ILE . 8.6 mp0 -53.73 -9.64 0.23 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.219 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.432 ' H ' ' C ' ' A' ' 57' ' ' MET . 58.4 m -84.11 -40.01 18.79 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.81 -179.287 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.536 ' H ' ' HG3' ' A' ' 57' ' ' MET . 5.3 tp10 -78.57 -19.53 52.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.738 0.304 . . . . 0.0 110.351 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.861 HG21 ' HB3' ' A' ' 46' ' ' LYS . 33.4 mt -69.02 -40.36 80.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.511 ' HD3' ' N ' ' A' ' 63' ' ' ASP . 0.0 OUTLIER -81.4 -32.0 32.99 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.991 0.424 . . . . 0.0 110.336 179.614 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.511 ' N ' ' HD3' ' A' ' 62' ' ' LYS . 8.5 t70 -73.93 -29.77 62.2 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.151 179.619 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.672 HD11 HD21 ' A' ' 45' ' ' LEU . 1.5 pp -80.92 -36.19 31.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.689 179.616 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.707 ' HG3' ' HB2' ' A' ' 42' ' ' PHE . 0.9 OUTLIER -61.41 -49.16 77.98 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.598 179.58 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -71.44 -31.86 67.69 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.055 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.07 -21.26 58.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.681 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.586 ' HB1' ' HA ' ' A' ' 81' ' ' PHE . . . -112.41 -59.89 1.94 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.358 -179.731 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.601 ' HB2' ' HB ' ' A' ' 76' ' ' ILE . 6.2 t70 -54.38 98.64 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.157 0.503 . . . . 0.0 111.321 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 14.4 tt -84.79 -25.17 7.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.978 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -69.16 -7.66 38.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.368 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 34.49 33.37 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.524 -0.762 . . . . 0.0 112.146 179.779 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 84.7 p -90.51 -6.64 54.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.974 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 106.84 -20.75 33.31 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.639 -0.791 . . . . 0.0 111.578 -179.36 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.621 ' HB ' HG22 ' A' ' 41' ' ' THR . 6.4 t -115.37 175.23 5.61 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 179.285 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.601 ' HB ' ' HB2' ' A' ' 69' ' ' ASP . 11.9 tt -156.17 143.5 11.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 120.992 0.425 . . . . 0.0 111.353 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -125.21 170.22 11.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.581 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.481 ' HB2' ' HB2' ' A' ' 21' ' ' GLU . 3.5 m-30 -51.43 -35.27 38.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.28 179.626 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.413 ' O ' ' HB2' ' A' ' 83' ' ' ALA . . . -59.54 -32.99 74.79 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.59 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.496 ' HB2' HG13 ' A' ' 76' ' ' ILE . 46.7 mt-10 -88.32 -59.23 2.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.73 0.3 . . . . 0.0 110.857 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.586 ' HA ' ' HB1' ' A' ' 68' ' ' ALA . 30.0 t80 -43.4 -43.61 5.29 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.73 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 50.4 mm -79.17 -31.15 14.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.392 -179.571 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.413 ' HB2' ' O ' ' A' ' 79' ' ' GLY . . . -54.96 -51.06 67.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.413 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.84 -80.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.451 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 74.6 p -83.17 138.8 33.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.997 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 39.5 t 54.61 82.77 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.007 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.166 -0.921 . . . . 0.0 111.065 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 23.6 t-80 . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.761 0.315 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.2 p -156.31 163.04 40.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.971 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.9 t -113.64 17.81 17.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.669 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.27 12.11 9.73 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.526 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 73.9 t60 -161.75 -69.05 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.788 0.328 . . . . 0.0 110.724 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 65.7 mt -77.17 83.96 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.851 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -167.31 -72.78 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.792 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 55.9 p-10 -169.53 31.76 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.932 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -101.55 -78.68 0.52 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.956 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -87.3 -18.12 30.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.799 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -85.44 -26.83 26.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.739 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.442 ' O ' ' HG2' ' A' ' 16' ' ' ARG . 33.0 t-80 -78.58 -34.79 46.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.466 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 48.8 ttm -65.86 -29.15 69.55 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.697 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.64 -45.29 87.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.07 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -69.54 -23.12 63.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.442 ' HG2' ' O ' ' A' ' 12' ' ' HIS . 27.0 mmm180 -77.57 -27.77 51.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.713 179.551 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 67.1 tp -80.63 101.74 9.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.803 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 55.4 m -82.36 97.5 8.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.777 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -85.11 -17.65 36.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.038 -179.616 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -74.99 -14.31 60.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.463 -179.576 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -52.1 -46.53 65.31 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.778 0.323 . . . . 0.0 111.47 -179.672 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.597 HG12 ' HD2' ' A' ' 78' ' ' TYR . 14.5 tt -61.17 -12.77 6.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.105 -179.775 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.509 ' O ' ' HG ' ' A' ' 25' ' ' LEU . . . -50.92 -4.54 0.07 OUTLIER Glycine 0 CA--C 1.523 0.548 0 CA-C-N 115.686 -0.688 . . . . 0.0 114.285 -179.723 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.432 ' H ' ' C ' ' A' ' 22' ' ' ILE . . . -56.06 -3.89 0.63 Allowed Glycine 0 CA--C 1.523 0.543 0 C-N-CA 121.14 -0.552 . . . . 0.0 112.826 179.534 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.771 HD12 ' N ' ' A' ' 26' ' ' LYS . 3.5 pp -38.33 -25.7 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 -179.582 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.771 ' N ' HD12 ' A' ' 25' ' ' LEU . 55.9 mtpt -49.42 -16.41 0.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 -179.311 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -83.61 -68.32 0.72 Allowed 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -178.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.494 HD22 ' N ' ' A' ' 28' ' ' LEU . 3.0 mm? -90.44 -48.91 6.82 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 -178.618 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.583 ' CB ' ' HB2' ' A' ' 25' ' ' LEU . 6.5 t80 -43.68 -53.1 6.03 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -177.793 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.701 ' HG2' ' HA2' ' A' ' 38' ' ' GLY . 48.4 mtmt -68.39 -21.05 64.72 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 121.056 -0.258 . . . . 0.0 111.673 -179.106 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 17.6 ttt -81.33 -26.7 35.39 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 120.744 0.307 . . . . 0.0 111.251 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.637 HG23 HD11 ' A' ' 40' ' ' ILE . 9.4 tp -93.1 -28.51 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.239 0.543 . . . . 0.0 110.379 179.675 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 61.2 t0 -59.17 119.6 7.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.568 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 87.4 m -59.67 -12.81 7.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.214 0.53 . . . . 0.0 110.109 179.611 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.495 ' HB2' ' OE2' ' A' ' 44' ' ' GLU . 54.2 t0 -105.38 -22.57 13.01 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.012 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 56.04 13.2 1.09 Allowed 'General case' 0 C--N 1.334 -0.107 0 CA-C-O 121.104 0.478 . . . . 0.0 109.978 -179.406 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 81.0 p -78.08 -19.46 54.16 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.835 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.701 ' HA2' ' HG2' ' A' ' 30' ' ' LYS . . . 111.11 3.78 27.75 Favored Glycine 0 N--CA 1.454 -0.158 0 CA-C-N 115.365 -0.834 . . . . 0.0 112.533 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 75.1 p -144.71 132.81 21.54 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.694 ' O ' HG22 ' A' ' 76' ' ' ILE . 76.8 mt -104.73 128.36 58.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.389 -179.733 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.76 ' HB ' HG22 ' A' ' 75' ' ' THR . 1.6 t -104.82 165.58 10.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.861 179.317 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.496 ' HB2' ' HG2' ' A' ' 65' ' ' MET . 15.2 t80 -38.36 -58.22 1.03 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.49 -0.777 . . . . 0.0 112.422 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -52.85 -37.65 60.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.038 0.447 . . . . 0.0 110.571 -179.56 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.495 ' OE2' ' HB2' ' A' ' 35' ' ' ASP . 91.4 mt-10 -89.15 -13.7 37.81 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.882 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.511 ' N ' ' O ' ' A' ' 41' ' ' THR . 63.3 tp -69.59 -53.27 19.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.739 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.814 ' HB3' HG21 ' A' ' 61' ' ' ILE . 0.3 OUTLIER -57.37 -20.7 31.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.47 -179.689 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.665 ' HA ' ' NZ ' ' A' ' 50' ' ' LYS . 10.0 t70 -65.44 -16.94 64.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.231 0.539 . . . . 0.0 110.372 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.506 ' O ' HG13 ' A' ' 52' ' ' VAL . . . -91.81 -42.81 4.65 Favored Glycine 0 N--CA 1.448 -0.541 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.163 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.537 HD12 HG12 ' A' ' 61' ' ' ILE . 92.9 mt -73.72 -20.36 60.55 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 178.716 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.665 ' NZ ' ' HA ' ' A' ' 47' ' ' ASP . 6.1 ttpm? -86.54 -41.29 14.46 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.242 179.351 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.526 ' C ' ' HD3' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -60.33 -37.89 82.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.016 -179.845 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.506 HG13 ' O ' ' A' ' 48' ' ' GLY . 33.2 m -65.73 -25.15 35.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.551 -179.503 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 94.33 49.23 2.44 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.352 -0.927 . . . . 0.0 113.135 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.713 ' HB2' ' HG ' ' A' ' 56' ' ' LEU . 94.8 p -117.36 118.37 32.05 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 179.209 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.464 ' HA ' ' OE1' ' A' ' 55' ' ' GLU . 4.4 mm-40 -84.63 33.12 0.51 Allowed 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.952 -179.655 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.713 ' HG ' ' HB2' ' A' ' 54' ' ' SER . 38.5 mt -60.45 179.21 0.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.73 -1.123 . . . . 0.0 110.995 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.555 ' HG2' ' H ' ' A' ' 60' ' ' GLU . 1.2 pmm? -82.87 127.36 33.43 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.049 178.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -56.9 -10.18 1.01 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.316 0.579 . . . . 0.0 110.587 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.419 ' O ' ' HG3' ' A' ' 62' ' ' LYS . 49.5 m -74.07 -41.25 62.01 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.449 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.555 ' H ' ' HG2' ' A' ' 57' ' ' MET . 42.9 tp10 -62.38 -15.78 50.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.942 179.151 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.814 HG21 ' HB3' ' A' ' 46' ' ' LYS . 19.1 mt -89.56 -33.22 5.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.704 -179.388 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.692 ' HD2' ' N ' ' A' ' 63' ' ' ASP . 0.0 OUTLIER -85.83 -33.48 21.32 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 -178.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.692 ' N ' ' HD2' ' A' ' 62' ' ' LYS . 57.1 p30 -82.71 -17.79 43.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.992 0.425 . . . . 0.0 110.461 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.522 ' HB2' ' O ' ' A' ' 60' ' ' GLU . 25.4 tp -86.97 -32.89 19.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.326 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.496 ' HG2' ' HB2' ' A' ' 42' ' ' PHE . 12.9 tpt -73.4 -34.09 65.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.217 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -74.69 -32.76 62.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.148 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -84.66 -14.59 48.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.422 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -98.8 -20.12 17.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.405 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -117.94 89.65 3.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.141 0.496 . . . . 0.0 110.674 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.584 HD12 ' N ' ' A' ' 70' ' ' ILE . 2.6 mp -83.76 -21.39 8.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.648 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -58.45 -18.25 27.12 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.819 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.553 ' HG2' ' O ' ' A' ' 70' ' ' ILE . 75.6 mmtt 62.92 12.55 5.9 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 179.6 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 51.0 m -74.46 -3.43 30.66 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.142 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 85.47 -26.18 5.91 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.738 -0.744 . . . . 0.0 111.896 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.76 HG22 ' HB ' ' A' ' 41' ' ' THR . 80.5 p -117.76 141.48 48.35 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 179.379 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.694 HG22 ' O ' ' A' ' 40' ' ' ILE . 10.5 tt -97.59 141.13 16.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.042 0.449 . . . . 0.0 111.586 -179.528 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -134.94 154.86 51.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.634 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.701 ' HB2' HD23 ' A' ' 25' ' ' LEU . 3.4 m-85 -42.27 -40.4 2.42 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.14 -0.482 . . . . 0.0 112.239 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -50.82 -46.87 48.43 Favored Glycine 0 CA--C 1.518 0.274 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.981 -179.568 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.626 ' OE2' ' HA ' ' A' ' 76' ' ' ILE . 9.4 pt-20 -88.55 -54.01 4.37 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.639 0.257 . . . . 0.0 111.279 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.494 ' HB2' HD11 ' A' ' 76' ' ' ILE . 27.5 t80 -42.34 -37.35 1.52 Allowed 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 116.133 -0.485 . . . . 0.0 112.084 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.66 HD13 ' O ' ' A' ' 82' ' ' ILE . 0.1 OUTLIER -50.83 -42.41 23.1 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.924 -179.289 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.73 -37.57 51.6 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.198 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.45 111.69 11.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 87.8 m -81.92 109.93 16.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.035 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 92.5 t -77.02 137.2 22.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 82.3 m-70 . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.877 -179.88 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 17.2 t-160 . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.795 0.331 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.1 t -101.28 166.9 10.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.774 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.5 m -72.63 -36.88 68.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.43 141.99 13.23 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.575 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 41.2 m80 -129.72 -42.6 1.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.775 0.322 . . . . 0.0 110.92 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.5 tt -96.94 100.58 10.99 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.062 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -149.53 -101.78 0.07 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.637 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.661 ' HA ' ' HB2' ' A' ' 12' ' ' HIS . 2.0 m-20 -143.97 54.03 1.3 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.839 0.352 . . . . 0.0 110.649 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -131.56 -87.54 0.47 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.237 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -97.38 -25.79 15.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.924 0.392 . . . . 0.0 110.87 -179.644 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.554 ' HB3' ' NZ ' ' A' ' 11' ' ' LYS . 3.4 mmmp? -86.63 -9.84 55.15 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.599 179.722 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.661 ' HB2' ' HA ' ' A' ' 8' ' ' ASP . 72.2 t60 -73.72 -16.21 61.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.225 0.536 . . . . 0.0 109.722 179.485 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.678 ' HG3' ' HD2' ' A' ' 16' ' ' ARG . 27.6 ttt -75.83 -2.84 31.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.215 179.611 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.6 -27.12 19.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.313 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.585 ' HG3' ' O ' ' A' ' 12' ' ' HIS . 1.2 pp20? -83.74 -26.5 29.65 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.876 0.37 . . . . 0.0 110.862 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.678 ' HD2' ' HG3' ' A' ' 13' ' ' MET . 15.3 ptp180 -67.46 -154.57 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.583 179.66 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.606 ' H ' HD22 ' A' ' 17' ' ' LEU . 2.7 mm? -60.79 116.51 4.48 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.795 0.331 . . . . 0.0 110.644 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 77.9 p -110.23 84.8 1.99 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.625 179.627 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -82.0 -9.8 59.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.841 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -78.37 -14.25 59.48 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.638 -179.483 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -49.52 -15.63 0.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.44 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.69 HG22 ' HB3' ' A' ' 78' ' ' TYR . 39.1 pt -57.24 -13.17 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.15 179.298 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.58 -21.38 54.51 Favored Glycine 0 CA--C 1.519 0.341 0 C-N-CA 121.034 -0.603 . . . . 0.0 113.274 -179.162 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -94.11 -4.5 62.95 Favored Glycine 0 CA--C 1.517 0.189 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.809 -179.586 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.789 HD21 ' HB2' ' A' ' 78' ' ' TYR . 46.5 mt -59.63 -21.7 60.81 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -179.327 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.472 ' O ' ' HD3' ' A' ' 30' ' ' LYS . 14.5 mmmm -57.78 -19.15 26.09 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.263 -179.643 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.489 ' HB3' HD12 ' A' ' 28' ' ' LEU . 87.5 tt0 -89.35 -67.91 0.81 Allowed 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 112.597 0.592 . . . . 0.0 112.597 -179.227 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.54 ' N ' HD12 ' A' ' 28' ' ' LEU . 4.2 mp -89.92 -67.55 0.84 Allowed 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -178.164 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.719 ' HB2' HD22 ' A' ' 25' ' ' LEU . 10.3 t80 -34.94 -43.08 0.18 Allowed 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 -177.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.472 ' HD3' ' O ' ' A' ' 26' ' ' LYS . 13.0 pttm -64.74 -42.17 95.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.963 0.411 . . . . 0.0 111.116 -178.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 50.2 ttm -64.22 -27.03 68.78 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.442 -179.411 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.75 HG23 HD11 ' A' ' 40' ' ' ILE . 10.6 tp -92.56 -21.33 6.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.016 0.436 . . . . 0.0 110.701 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.461 ' OD2' ' HB3' ' A' ' 35' ' ' ASP . 31.0 t70 -85.67 125.08 32.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.46 179.549 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 72.6 m -59.94 -13.79 12.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.976 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.461 ' HB3' ' OD2' ' A' ' 33' ' ' ASP . 28.5 t70 -103.56 -16.41 15.54 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.259 -179.704 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.2 m120 50.87 18.91 0.56 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.257 179.455 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 81.0 p -83.69 -17.85 39.98 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-O 121.35 0.595 . . . . 0.0 109.493 179.431 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 107.2 4.81 35.34 Favored Glycine 0 N--CA 1.451 -0.336 0 CA-C-N 114.971 -1.013 . . . . 0.0 112.045 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 81.6 p -134.89 132.01 38.01 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.553 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.75 HD11 HG23 ' A' ' 32' ' ' ILE . 48.5 mt -104.58 138.47 29.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.832 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.93 HG22 HG22 ' A' ' 75' ' ' THR . 60.4 p -120.24 151.43 39.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.379 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.814 ' HB2' ' HG2' ' A' ' 65' ' ' MET . 19.1 t80 -44.25 -43.6 7.38 Favored 'General case' 0 N--CA 1.454 -0.271 0 O-C-N 123.335 0.397 . . . . 0.0 110.891 179.496 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -54.21 -42.13 69.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.949 179.478 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.478 ' O ' ' HB2' ' A' ' 47' ' ' ASP . 36.6 mt-10 -89.42 -16.19 31.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.094 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.615 HD22 ' HB2' ' A' ' 65' ' ' MET . 21.1 tp -58.6 -64.14 1.03 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.057 0.456 . . . . 0.0 110.591 -179.28 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.53 ' HB3' HG21 ' A' ' 61' ' ' ILE . 61.6 pttt -49.31 -32.9 11.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.746 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.582 ' HA ' ' HZ1' ' A' ' 50' ' ' LYS . 1.1 m-20 -48.11 -16.71 0.1 Allowed 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -179.654 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -64.89 -61.81 5.52 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.584 -0.817 . . . . 0.0 111.365 179.313 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.5 HD12 ' N ' ' A' ' 49' ' ' LEU . 6.2 mp -90.25 -14.03 34.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.862 0.363 . . . . 0.0 110.208 179.03 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.645 ' HD2' ' O ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -74.25 -32.52 63.0 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.54 -179.855 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.404 HH11 ' HG2' ' A' ' 51' ' ' ARG . 55.1 ttp85 -47.8 -36.76 12.28 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.563 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 35.0 m -89.64 -28.51 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.394 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 60.79 48.81 84.37 Favored Glycine 0 C--N 1.332 0.336 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.76 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 46.8 t -86.4 -95.47 0.08 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.628 0.251 . . . . 0.0 110.957 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -147.56 69.58 1.15 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.982 0.42 . . . . 0.0 110.374 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.92 ' H ' HD22 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -91.97 179.53 5.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.509 -179.641 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.483 ' O ' HG13 ' A' ' 61' ' ' ILE . 3.1 mpp? -114.02 98.73 7.16 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.76 178.793 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -60.93 -17.54 51.78 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 179.425 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.452 ' O ' ' HG3' ' A' ' 62' ' ' LYS . 78.8 p -87.79 -17.66 31.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 114.948 -1.024 . . . . 0.0 111.111 179.582 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.419 ' HG3' ' HG ' ' A' ' 64' ' ' LEU . 17.0 tp10 -90.4 -39.85 12.42 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.008 0.432 . . . . 0.0 109.948 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.53 HG21 ' HB3' ' A' ' 46' ' ' LYS . 31.6 mt -59.39 -26.09 33.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.561 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.609 ' HD3' ' N ' ' A' ' 63' ' ' ASP . 0.0 OUTLIER -73.53 -43.31 60.27 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.663 0.268 . . . . 0.0 110.726 -179.91 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.609 ' N ' ' HD3' ' A' ' 62' ' ' LYS . 2.9 p30 -80.11 -23.75 41.0 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 179.426 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.419 ' HG ' ' HG3' ' A' ' 60' ' ' GLU . 24.8 mt -72.64 -26.23 61.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.911 178.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.814 ' HG2' ' HB2' ' A' ' 42' ' ' PHE . 12.9 tpt -83.93 -39.65 19.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.468 179.388 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -74.65 -22.79 58.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.016 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.49 -56.86 12.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.208 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.6 -50.94 21.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -81.91 100.5 9.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.0 0.428 . . . . 0.0 110.776 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.531 ' O ' ' HG3' ' A' ' 72' ' ' LYS . 14.3 tt -84.21 -22.78 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.511 179.749 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -56.14 -24.57 41.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.608 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.531 ' HG3' ' O ' ' A' ' 70' ' ' ILE . 40.6 mttm 63.56 5.26 2.08 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-O 121.242 0.544 . . . . 0.0 110.157 -179.619 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 80.5 p -70.45 0.76 6.03 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.384 -0.826 . . . . 0.0 111.188 -179.638 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.47 -10.1 38.59 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.135 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.93 HG22 HG22 ' A' ' 41' ' ' THR . 71.7 p -119.89 127.46 52.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.812 0.339 . . . . 0.0 110.622 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.566 ' HA ' ' OE2' ' A' ' 80' ' ' GLU . 10.7 tt -96.38 134.9 32.29 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.093 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -117.9 162.95 17.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.669 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.789 ' HB2' HD21 ' A' ' 25' ' ' LEU . 30.2 t80 -62.15 -31.25 71.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.913 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.94 -44.39 97.48 Favored Glycine 0 CA--C 1.519 0.334 0 CA-C-N 115.825 -0.625 . . . . 0.0 113.706 -178.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.566 ' OE2' ' HA ' ' A' ' 76' ' ' ILE . 22.0 pt-20 -86.95 -43.3 12.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.882 0.341 . . . . 0.0 111.426 -179.263 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.413 ' CD1' HD11 ' A' ' 76' ' ' ILE . 30.7 t80 -44.88 -45.51 10.33 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.364 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.43 HG22 ' O ' ' A' ' 78' ' ' TYR . 10.2 tp -77.63 -30.02 16.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.393 -179.692 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.6 -20.63 61.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.356 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.06 121.58 15.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.08 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 68.8 p -70.03 156.41 39.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.87 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 35.1 m -87.69 -5.59 10.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.154 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.206 -0.902 . . . . 0.0 110.87 179.961 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 18.6 t-160 . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.821 0.343 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 76.5 p -79.36 67.78 5.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.9 m -135.05 24.87 3.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.85 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.45 -23.89 8.16 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.418 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.474 ' HB3' ' NZ ' ' A' ' 11' ' ' LYS . 93.3 m-70 -135.38 -18.29 1.73 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.753 0.311 . . . . 0.0 111.069 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 42.3 mm -103.13 75.08 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.977 0.418 . . . . 0.0 110.891 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -137.19 -87.41 0.29 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.832 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.699 ' HA ' ' HB2' ' A' ' 12' ' ' HIS . 10.8 p-10 -173.77 81.94 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.839 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -151.74 -80.73 0.1 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -88.03 -33.78 18.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.319 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.531 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 62.5 mttp -89.18 -9.83 49.41 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.875 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.699 ' HB2' ' HA ' ' A' ' 8' ' ' ASP . 78.3 t60 -75.66 -28.37 58.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.63 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 26.5 mmt -65.72 -21.4 66.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.659 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -96.2 -17.71 20.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.974 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.531 ' HG2' ' O ' ' A' ' 11' ' ' LYS . 4.9 mm-40 -89.02 -21.88 23.26 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.951 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -81.23 -175.59 5.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.804 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.544 ' N ' HD22 ' A' ' 17' ' ' LEU . 2.5 mm? -78.64 173.5 12.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.414 179.763 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.574 ' HB3' ' OE1' ' A' ' 21' ' ' GLU . 50.5 m -118.8 86.15 2.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.948 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -84.88 -7.78 59.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.092 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 -71.16 -60.86 2.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.171 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.623 ' HG3' ' H ' ' A' ' 78' ' ' TYR . 8.8 mp0 -61.68 -70.2 0.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.611 -179.495 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.569 HG12 ' O ' ' A' ' 18' ' ' SER . 29.8 pt -59.32 -12.87 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -178.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -81.15 -67.04 1.57 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 119.813 -1.184 . . . . 0.0 114.112 -178.562 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -97.37 -65.64 0.9 Allowed Glycine 0 CA--C 1.52 0.404 0 C-N-CA 120.527 -0.844 . . . . 0.0 114.788 -178.671 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.779 ' HG ' ' H ' ' A' ' 29' ' ' PHE . 14.0 tp -67.6 -7.97 30.64 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -177.538 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.511 ' HB2' ' HA ' ' A' ' 22' ' ' ILE . 62.2 tttm -40.61 -22.68 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -179.341 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 25' ' ' LEU . 17.6 tp10 -83.72 -47.01 11.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.873 0.368 . . . . 0.0 111.443 -179.682 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.64 HD23 HD11 ' A' ' 25' ' ' LEU . 64.0 tp -88.48 -52.28 5.26 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.945 -0.57 . . . . 0.0 112.067 -178.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.779 ' H ' ' HG ' ' A' ' 25' ' ' LEU . 6.0 t80 -41.94 -43.22 3.03 Favored 'General case' 0 N--CA 1.463 0.188 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -178.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.4 ' O ' ' HA ' ' A' ' 36' ' ' ASN . 13.7 pttp -70.58 -40.12 73.46 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.167 0.508 . . . . 0.0 110.691 -179.599 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 56.9 ttp -74.42 -18.13 60.7 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.776 -179.016 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.734 HG23 HD11 ' A' ' 40' ' ' ILE . 10.5 tp -92.24 -25.48 5.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.124 0.488 . . . . 0.0 110.3 179.712 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.468 ' OD2' ' HB3' ' A' ' 35' ' ' ASP . 30.7 t70 -82.91 125.16 31.06 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.018 179.216 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.682 HG22 ' HB3' ' A' ' 44' ' ' GLU . 5.0 t -56.43 -31.61 64.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.394 0.616 . . . . 0.0 110.51 -179.585 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.602 ' HB2' ' OE2' ' A' ' 44' ' ' GLU . 20.5 t70 -80.87 -20.06 43.1 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.766 -179.563 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.4 ' HA ' ' O ' ' A' ' 30' ' ' LYS . 5.9 m120 50.78 19.55 0.63 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.856 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.401 ' HB3' ' OD2' ' A' ' 35' ' ' ASP . 84.5 p -82.64 -16.88 46.63 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-O 121.423 0.63 . . . . 0.0 109.5 179.679 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.7 17.6 14.48 Favored Glycine 0 N--CA 1.451 -0.342 0 CA-C-N 114.972 -1.013 . . . . 0.0 112.153 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 72.1 p -150.29 132.43 15.35 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.734 HD11 HG23 ' A' ' 32' ' ' ILE . 69.5 mt -104.61 143.66 15.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.756 -0.378 . . . . 0.0 111.304 -179.66 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.465 ' O ' ' N ' ' A' ' 45' ' ' LEU . 75.6 p -134.15 150.44 51.11 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.401 179.488 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.543 ' HB2' ' HG2' ' A' ' 65' ' ' MET . 15.4 t80 -34.8 -61.51 0.4 Allowed 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 123.483 0.713 . . . . 0.0 112.613 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -51.53 -37.75 50.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.981 0.42 . . . . 0.0 110.738 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.682 ' HB3' HG22 ' A' ' 34' ' ' THR . 38.9 mt-10 -87.3 -17.21 32.99 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.082 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.596 HD22 ' SD ' ' A' ' 65' ' ' MET . 35.3 tp -67.23 -61.72 1.78 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.205 0.526 . . . . 0.0 110.728 -179.725 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.711 ' HB3' HG21 ' A' ' 61' ' ' ILE . 22.3 pttp -55.29 -33.04 62.91 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.12 -179.647 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.519 ' O ' ' HB2' ' A' ' 51' ' ' ARG . 7.6 t70 -45.68 -16.16 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.164 -0.471 . . . . 0.0 112.044 -179.748 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 46' ' ' LYS . . . -68.72 -64.05 3.23 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.155 -1.021 . . . . 0.0 111.86 179.767 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.694 ' O ' HG12 ' A' ' 52' ' ' VAL . 3.5 mm? -91.5 -13.51 32.04 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.739 0.304 . . . . 0.0 110.794 179.287 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.758 ' HE3' HD13 ' A' ' 56' ' ' LEU . 11.9 mptt -86.71 -15.19 40.26 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.68 0.622 . . . . 0.0 112.68 -178.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.519 ' HB2' ' O ' ' A' ' 47' ' ' ASP . 30.1 tpt180 -70.73 -11.84 61.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.095 0.474 . . . . 0.0 110.247 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.694 HG12 ' O ' ' A' ' 49' ' ' LEU . 7.1 p -85.12 -28.39 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.997 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 62.65 49.03 76.88 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.871 -0.681 . . . . 0.0 113.051 179.47 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 70.7 m -80.86 -107.57 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.922 0.361 . . . . 0.0 110.711 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.413 ' O ' ' HG2' ' A' ' 55' ' ' GLU . 36.4 tt0 -143.07 30.61 1.42 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.443 0.639 . . . . 0.0 109.667 179.554 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.758 HD13 ' HE3' ' A' ' 50' ' ' LYS . 0.6 OUTLIER -81.59 168.05 18.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.718 -179.775 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.505 ' HG3' ' HG2' ' A' ' 60' ' ' GLU . 19.9 ptt? -123.1 119.61 30.8 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.294 -0.867 . . . . 0.0 110.596 179.688 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.435 ' N ' ' OE1' ' A' ' 58' ' ' GLU . 0.3 OUTLIER -58.44 -9.33 1.54 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.675 179.698 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 89.1 p -63.05 -18.9 63.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.221 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.505 ' HG2' ' HG3' ' A' ' 57' ' ' MET . 5.1 mm-40 -86.05 -42.45 13.94 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.476 179.175 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.711 HG21 ' HB3' ' A' ' 46' ' ' LYS . 41.5 mm -52.92 -18.82 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.236 179.356 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 12.4 mmmm -73.07 -64.95 0.87 Allowed 'General case' 0 CA--C 1.514 -0.413 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 179.344 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -58.55 -17.22 19.86 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 177.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.551 ' HB2' ' HA ' ' A' ' 61' ' ' ILE . 57.1 mt -85.64 -37.56 19.36 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 115.041 -0.981 . . . . 0.0 111.25 179.614 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.596 ' SD ' HD22 ' A' ' 45' ' ' LEU . 15.8 tpt -88.37 -58.16 2.66 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.741 0.305 . . . . 0.0 111.353 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -46.96 -43.59 19.33 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.877 -179.309 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.81 -21.19 48.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.524 -179.609 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.43 ' HB1' HD12 ' A' ' 76' ' ' ILE . . . -71.52 -34.26 69.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.628 -179.627 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.613 ' HA ' ' HB3' ' A' ' 80' ' ' GLU . 7.1 t70 -114.84 128.08 56.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.006 0.431 . . . . 0.0 111.176 -179.692 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.721 HG22 ' HG3' ' A' ' 80' ' ' GLU . 0.0 OUTLIER -83.39 -27.44 7.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.828 -179.29 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.586 ' C ' ' HD3' ' A' ' 72' ' ' LYS . 63.3 m-20 -71.26 0.31 8.24 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -179.489 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.586 ' HD3' ' C ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER 34.14 36.97 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.047 0.451 . . . . 0.0 111.237 -179.768 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 53.1 p -91.9 -2.08 56.99 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.529 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 85.13 -10.33 63.72 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.652 -0.785 . . . . 0.0 111.816 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.453 ' OG1' HG22 ' A' ' 41' ' ' THR . 94.6 m -123.57 127.27 48.06 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 179.674 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.43 HD12 ' HB1' ' A' ' 68' ' ' ALA . 10.6 tt -97.87 137.99 23.9 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 CA-C-O 121.203 0.525 . . . . 0.0 111.708 -179.543 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -120.36 177.7 4.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.043 179.226 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.623 ' H ' ' HG3' ' A' ' 21' ' ' GLU . 28.1 t80 -56.75 -32.85 66.0 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.013 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.4 -41.4 99.76 Favored Glycine 0 CA--C 1.519 0.321 0 C-N-CA 121.019 -0.61 . . . . 0.0 113.451 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.721 ' HG3' HG22 ' A' ' 70' ' ' ILE . 5.5 mp0 -84.79 -35.78 22.14 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.913 0.356 . . . . 0.0 110.987 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.401 ' HA ' HD11 ' A' ' 76' ' ' ILE . 43.1 t80 -52.05 -44.81 64.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.31 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.423 HG22 ' O ' ' A' ' 78' ' ' TYR . 8.0 tp -79.97 -35.7 16.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.393 -179.678 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.12 -17.37 63.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.437 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.81 139.99 52.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.051 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 76.1 p -88.8 152.02 22.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.996 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 13.8 p -150.29 -17.8 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.946 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 10.0 p80 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.277 -0.868 . . . . 0.0 111.069 179.995 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 78.7 t60 . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.89 0.376 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.5 p -123.98 89.57 3.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.98 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.7 t -108.0 5.66 26.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.79 106.66 2.2 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.436 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 13.5 p-80 -170.07 152.32 4.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.089 0.471 . . . . 0.0 111.187 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.707 HG23 ' N ' ' A' ' 7' ' ' ASP . 0.4 OUTLIER -101.59 -175.86 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.453 179.528 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.707 ' N ' HG23 ' A' ' 6' ' ' ILE . 27.6 t70 -34.76 -44.94 0.23 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.906 0.384 . . . . 0.0 111.106 179.598 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -91.48 -104.9 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.069 179.234 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.499 ' O ' ' HG2' ' A' ' 13' ' ' MET . 34.3 t70 -175.62 -29.71 0.01 OUTLIER 'General case' 0 N--CA 1.461 0.094 0 CA-C-O 120.831 0.348 . . . . 0.0 111.24 179.531 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -98.22 -12.83 21.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.069 -0.514 . . . . 0.0 112.207 -178.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.616 ' NZ ' HG21 ' A' ' 6' ' ' ILE . 7.5 mtmp? -75.84 -25.09 55.92 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.986 0.422 . . . . 0.0 110.307 -179.542 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.515 ' HB2' ' HB ' ' A' ' 6' ' ' ILE . 81.1 t60 -90.32 -22.77 21.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.057 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.499 ' HG2' ' O ' ' A' ' 9' ' ' ASP . 26.5 mmt -58.57 -25.77 62.89 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.094 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.11 -27.72 69.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.639 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -134.49 35.42 3.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.777 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.46 ' HB3' ' HA ' ' A' ' 13' ' ' MET . 8.4 ptm180 -70.05 -14.76 62.83 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.406 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.739 HD12 ' HG3' ' A' ' 19' ' ' GLU . 0.3 OUTLIER -59.07 131.49 51.19 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.545 ' N ' HD13 ' A' ' 17' ' ' LEU . 51.5 m -119.65 90.53 3.35 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.829 0.347 . . . . 0.0 111.597 -179.375 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.739 ' HG3' HD12 ' A' ' 17' ' ' LEU . 95.7 mt-10 -85.49 -8.6 58.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.733 179.39 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.419 ' OE2' HG12 ' A' ' 82' ' ' ILE . 53.1 mt-10 -69.58 -17.26 63.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.741 -179.244 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.415 ' O ' HD22 ' A' ' 25' ' ' LEU . 39.1 tt0 -119.98 -70.22 0.8 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.799 0.333 . . . . 0.0 111.755 -179.32 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 14.5 tt -75.61 -13.21 15.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.784 -179.079 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -94.55 -4.97 61.94 Favored Glycine 0 CA--C 1.517 0.216 0 C-N-CA 120.483 -0.865 . . . . 0.0 113.221 -179.447 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.462 ' HA3' ' CG ' ' A' ' 78' ' ' TYR . . . -95.53 -55.04 1.37 Allowed Glycine 0 CA--C 1.518 0.244 0 C-N-CA 120.567 -0.825 . . . . 0.0 113.373 -179.507 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.689 ' HB2' ' HA2' ' A' ' 38' ' ' GLY . 2.0 pt? -59.5 -9.68 2.71 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 -178.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.442 ' O ' ' HD3' ' A' ' 30' ' ' LYS . 40.1 ttmt -73.89 -67.5 0.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -179.075 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -89.35 -67.57 0.83 Allowed 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 -178.644 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.547 HD22 ' H ' ' A' ' 28' ' ' LEU . 3.5 mm? -46.36 -60.74 2.15 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 113.127 0.788 . . . . 0.0 113.127 -177.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.608 ' HB2' ' HA ' ' A' ' 25' ' ' LEU . 5.5 m-85 -61.13 -62.28 1.96 Allowed 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 -178.281 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.537 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 29.3 mtpp -45.59 -26.17 0.56 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.874 0.368 . . . . 0.0 111.227 -179.374 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 51.0 ttm -89.67 -35.85 15.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.244 179.481 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 74.0 mt -93.97 -65.7 1.07 Allowed 'Isoleucine or valine' 0 CA--C 1.521 -0.14 0 CA-C-O 120.972 0.415 . . . . 0.0 110.93 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.412 ' N ' ' O ' ' A' ' 29' ' ' PHE . 54.5 t0 -44.84 110.45 0.23 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.989 179.763 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 52.4 m -62.06 -9.88 8.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.251 0.548 . . . . 0.0 109.743 179.299 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.55 ' HB2' ' OE1' ' A' ' 44' ' ' GLU . 53.5 t0 -98.89 -23.33 15.39 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.279 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.1 m120 52.84 19.38 1.29 Allowed 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 -179.232 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 79.8 p -81.31 -14.17 57.63 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 121.466 0.65 . . . . 0.0 109.378 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.689 ' HA2' ' HB2' ' A' ' 25' ' ' LEU . . . 104.86 10.12 33.3 Favored Glycine 0 N--CA 1.45 -0.424 0 CA-C-N 114.814 -1.084 . . . . 0.0 112.092 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 35.8 m -141.53 131.08 23.9 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.623 -0.288 . . . . 0.0 110.253 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 96.7 mt -105.27 121.46 57.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 120.909 -0.317 . . . . 0.0 111.15 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.573 HG22 ' HB ' ' A' ' 75' ' ' THR . 63.2 p -111.95 136.54 51.15 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.188 179.408 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -34.72 -50.1 0.45 Allowed 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 123.25 0.62 . . . . 0.0 111.906 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -48.07 -44.29 31.33 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.135 0.493 . . . . 0.0 110.259 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.55 ' OE1' ' HB2' ' A' ' 35' ' ' ASP . 29.5 mt-10 -82.44 -35.12 27.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.479 179.336 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.594 ' CD2' ' HB2' ' A' ' 65' ' ' MET . 41.4 tp -48.82 -54.86 13.45 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.035 -179.364 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.797 ' HG2' HG21 ' A' ' 61' ' ' ILE . 8.1 mtpm? -50.57 -47.75 57.82 Favored 'General case' 0 C--O 1.224 -0.245 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.237 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.5 ' HA ' ' HB3' ' A' ' 50' ' ' LYS . 8.7 t70 -50.1 -17.11 0.37 Allowed 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.513 -179.707 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -69.67 -54.98 10.48 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.944 -0.646 . . . . 0.0 111.568 179.314 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.47 ' C ' HD13 ' A' ' 56' ' ' LEU . 87.1 mt -89.69 -13.21 37.43 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 178.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.5 ' HB3' ' HA ' ' A' ' 47' ' ' ASP . 88.4 tttt -86.21 -21.76 27.29 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.805 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 30.2 tpt180 -45.1 -33.16 2.04 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.986 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.0 m -105.5 -28.92 2.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.144 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 56.51 48.21 78.14 Favored Glycine 0 C--N 1.331 0.284 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.637 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 46.9 t -72.92 -83.93 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.785 0.326 . . . . 0.0 110.933 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -145.87 22.92 1.41 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.618 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.669 ' H ' HD23 ' A' ' 56' ' ' LEU . 1.8 pt? -55.92 164.19 1.26 Allowed 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 121.396 0.617 . . . . 0.0 111.681 -179.621 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.42 ' C ' ' H ' ' A' ' 59' ' ' SER . 21.4 ptp -126.11 122.65 36.35 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.861 178.752 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -53.33 -9.16 0.15 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.428 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.42 ' H ' ' C ' ' A' ' 57' ' ' MET . 48.2 t -76.24 -41.22 49.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.386 -179.279 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.622 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 69.6 mm-40 -73.5 -16.3 61.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.867 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.797 HG21 ' HG2' ' A' ' 46' ' ' LYS . 16.5 mt -86.37 -47.09 16.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.021 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.659 ' HD3' ' N ' ' A' ' 63' ' ' ASP . 0.0 OUTLIER -73.42 -30.6 63.33 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.87 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.659 ' N ' ' HD3' ' A' ' 62' ' ' LYS . 60.0 t0 -79.37 -19.14 50.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.342 0.591 . . . . 0.0 109.527 179.243 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.622 ' HB2' ' O ' ' A' ' 60' ' ' GLU . 36.6 tp -86.22 -30.11 22.64 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.208 179.653 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.594 ' HB2' ' CD2' ' A' ' 45' ' ' LEU . 10.2 tmm? -89.01 -64.99 1.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.22 -179.623 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.541 ' HA ' ' OD1' ' A' ' 69' ' ' ASP . 63.6 t0 -54.7 -62.01 1.93 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.167 -178.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.589 ' HB3' ' O ' ' A' ' 63' ' ' ASP . . . -59.43 -7.31 1.32 Allowed 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -178.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -106.01 -20.89 13.29 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.815 0.302 . . . . 0.0 111.815 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.67 ' HB3' ' HB ' ' A' ' 76' ' ' ILE . 1.4 p-10 -110.33 131.07 55.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.986 0.422 . . . . 0.0 110.154 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.53 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 9.1 tp -84.58 -29.01 6.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.966 -178.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.426 ' HB2' 'CA ' ' A' ' 89' ' ' ' CA' . 66.3 m-20 -56.48 -24.97 49.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.955 -179.748 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.608 ' HB3' ' NZ ' ' A' ' 72' ' ' LYS . 2.7 mmmp? 57.62 15.16 2.7 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-O 121.324 0.583 . . . . 0.0 109.652 -179.266 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 78.6 p -78.34 -5.61 52.69 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.095 -0.957 . . . . 0.0 111.569 -179.225 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 98.45 -14.29 62.24 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.097 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.573 ' HB ' HG22 ' A' ' 41' ' ' THR . 9.8 t -117.46 177.7 4.65 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 179.473 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.67 ' HB ' ' HB3' ' A' ' 69' ' ' ASP . 12.1 tt -157.79 145.08 9.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 CA-C-O 121.217 0.532 . . . . 0.0 112.299 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.577 ' OD1' ' HB2' ' A' ' 80' ' ' GLU . 6.6 p-10 -120.33 169.27 10.44 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.314 178.707 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.462 ' CG ' ' HA3' ' A' ' 24' ' ' GLY . 7.1 t80 -64.88 -40.63 95.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.903 0.383 . . . . 0.0 111.358 -178.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.418 ' O ' ' HB2' ' A' ' 83' ' ' ALA . . . -74.43 -13.77 81.43 Favored Glycine 0 N--CA 1.453 -0.23 0 CA-C-N 115.915 -0.584 . . . . 0.0 113.054 -179.245 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.577 ' HB2' ' OD1' ' A' ' 77' ' ' ASP . 88.4 tt0 -79.45 -55.02 5.36 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.97 0.414 . . . . 0.0 110.793 -179.513 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -50.93 -36.08 36.66 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.231 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.419 HG12 ' OE2' ' A' ' 20' ' ' GLU . 8.1 tp -87.86 -22.97 6.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.361 -179.731 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.418 ' HB2' ' O ' ' A' ' 79' ' ' GLY . . . -53.28 -27.2 21.51 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.49 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -74.56 89.82 2.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.075 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 7.3 t -161.86 155.55 21.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.949 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 12.1 p -171.16 148.78 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.986 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 39.4 m170 . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.215 -0.898 . . . . 0.0 110.805 179.869 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ' CA' . . . . . 0.426 'CA ' ' HB2' ' A' ' 71' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 79.6 t60 . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.822 0.344 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.4 p -64.56 159.65 21.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.923 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.4 t -92.93 0.64 57.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.022 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.12 -6.11 75.78 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.394 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 71.3 t60 -135.55 38.13 2.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.264 0.554 . . . . 0.0 110.24 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 48.8 mm -91.66 110.13 22.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.692 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.743 ' HA ' ' HB2' ' A' ' 11' ' ' LYS . 2.6 p30 -80.23 37.42 0.38 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.416 -179.639 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -132.76 23.84 4.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.977 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -160.18 -89.08 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.368 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -85.35 -25.02 27.36 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.839 0.352 . . . . 0.0 111.438 -179.465 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.743 ' HB2' ' HA ' ' A' ' 7' ' ' ASP . 3.3 mmmp? -88.31 -9.93 51.18 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.719 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.556 ' O ' ' HG2' ' A' ' 16' ' ' ARG . 18.7 t-160 -81.56 -39.78 24.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.646 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.472 ' HA ' ' CG ' ' A' ' 16' ' ' ARG . 64.9 mtt -61.25 -10.87 7.61 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.461 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.58 -40.79 96.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.437 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.8 pm0 -110.91 4.63 19.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.831 -179.221 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.556 ' HG2' ' O ' ' A' ' 12' ' ' HIS . 20.9 mmm180 -62.08 -36.35 81.42 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.626 0.25 . . . . 0.0 111.122 179.65 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.47 HD12 ' N ' ' A' ' 17' ' ' LEU . 6.8 mp -62.74 137.79 58.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.846 0.355 . . . . 0.0 110.716 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.487 ' O ' HG12 ' A' ' 22' ' ' ILE . 76.5 p -134.19 107.76 7.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.02 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.454 ' CD ' ' H ' ' A' ' 19' ' ' GLU . 0.5 OUTLIER -61.48 -7.31 3.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.089 179.787 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.567 ' HB2' ' HA3' ' A' ' 79' ' ' GLY . 39.3 tt0 -40.61 -44.49 2.13 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.701 -179.562 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.96 ' HB3' HD22 ' A' ' 25' ' ' LEU . 3.4 mp0 -131.45 30.79 4.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.738 0.304 . . . . 0.0 111.146 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.487 HG12 ' O ' ' A' ' 18' ' ' SER . 46.0 mm -95.97 -59.48 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -179.541 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -95.79 -65.63 0.96 Allowed Glycine 0 C--N 1.332 0.329 0 C-N-CA 120.268 -0.968 . . . . 0.0 114.563 -178.16 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.82 -31.38 75.63 Favored Glycine 0 N--CA 1.453 -0.189 0 C-N-CA 120.999 -0.62 . . . . 0.0 113.993 -178.343 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.96 HD22 ' HB3' ' A' ' 21' ' ' GLU . 31.3 tp -41.58 -24.09 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 113.059 0.763 . . . . 0.0 113.059 -178.76 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.646 ' NZ ' ' HB2' ' A' ' 26' ' ' LYS . 4.8 ttmp? -90.73 -68.17 0.8 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 -178.216 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -89.44 -68.26 0.79 Allowed 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 -177.474 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.454 HD22 ' N ' ' A' ' 28' ' ' LEU . 3.5 mm? -60.14 -66.38 0.53 Allowed 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 113.301 0.852 . . . . 0.0 113.301 -177.249 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.468 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 3.6 t80 -43.55 -46.05 6.89 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -177.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.489 ' HG2' ' O ' ' A' ' 25' ' ' LEU . 14.3 mmmm -70.52 -29.66 66.22 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -179.29 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 54.6 ttp -89.76 -14.42 34.61 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -178.601 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.817 HG23 HD11 ' A' ' 40' ' ' ILE . 14.5 tt -92.53 -28.28 4.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.734 0.302 . . . . 0.0 111.61 -178.714 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -89.1 124.99 34.83 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.447 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 89.3 m -65.03 -15.04 61.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.149 0.499 . . . . 0.0 110.124 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -100.57 -19.73 16.01 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.691 -0.686 . . . . 0.0 112.197 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.455 ' ND2' ' O ' ' A' ' 30' ' ' LYS . 4.3 m120 49.56 22.28 0.73 Allowed 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 -179.727 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 81.0 p -84.65 -15.88 43.86 Favored 'General case' 0 CA--C 1.511 -0.528 0 CA-C-O 121.52 0.676 . . . . 0.0 109.318 -179.648 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.24 25.19 7.17 Favored Glycine 0 N--CA 1.449 -0.456 0 CA-C-N 114.788 -1.096 . . . . 0.0 111.76 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 54.7 m -161.62 132.96 5.36 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.558 -0.321 . . . . 0.0 110.41 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.817 HD11 HG23 ' A' ' 32' ' ' ILE . 50.4 mt -104.96 150.67 7.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.936 0.398 . . . . 0.0 111.217 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.562 ' O ' ' N ' ' A' ' 45' ' ' LEU . 21.3 m -133.77 165.69 24.39 Favored 'General case' 0 C--O 1.22 -0.453 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 179.236 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -59.6 -54.24 48.82 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 122.519 0.328 . . . . 0.0 111.151 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -55.51 -29.99 59.86 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.317 0.58 . . . . 0.0 109.673 179.618 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -89.24 -22.9 22.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.579 179.015 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.562 ' N ' ' O ' ' A' ' 41' ' ' THR . 59.2 tp -66.93 -64.25 0.89 Allowed 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.039 -0.982 . . . . 0.0 111.005 -179.331 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.669 ' HA ' HD13 ' A' ' 61' ' ' ILE . 14.2 ptmm? -55.76 -38.38 69.76 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.475 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -66.11 -16.64 64.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.088 0.471 . . . . 0.0 110.461 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -89.03 -41.37 5.91 Favored Glycine 0 N--CA 1.45 -0.4 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.258 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.726 HD11 HD12 ' A' ' 56' ' ' LEU . 7.8 tt -77.16 -20.37 55.59 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 178.5 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -84.74 -36.46 21.77 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.264 179.112 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 55.1 ttp180 -51.04 -30.64 16.11 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.962 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 34.4 m -88.97 -30.79 5.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.899 179.56 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 67.73 49.07 52.05 Favored Glycine 0 C--N 1.332 0.329 0 C-N-CA 120.708 -0.758 . . . . 0.0 113.032 179.462 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 60.3 m -60.67 -101.15 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.757 0.279 . . . . 0.0 110.913 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -175.38 42.36 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.771 0.319 . . . . 0.0 110.847 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.726 HD12 HD11 ' A' ' 49' ' ' LEU . 16.5 mt -111.89 178.75 4.21 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 121.281 0.562 . . . . 0.0 111.281 -179.677 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.466 ' C ' ' H ' ' A' ' 59' ' ' SER . 50.3 tpp -107.16 125.21 50.79 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.281 178.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.513 ' HA ' HD12 ' A' ' 61' ' ' ILE . 11.9 pm0 -50.47 -10.68 0.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.18 0.514 . . . . 0.0 111.564 -179.617 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.588 ' O ' ' HG3' ' A' ' 62' ' ' LYS . 53.9 m -67.4 -44.9 77.72 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.371 -179.575 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.503 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 43.5 tt0 -68.23 -20.07 64.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.855 0.36 . . . . 0.0 110.209 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.669 HD13 ' HA ' ' A' ' 46' ' ' LYS . 46.9 mt -69.11 -37.74 77.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.491 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.588 ' HG3' ' O ' ' A' ' 59' ' ' SER . 0.0 OUTLIER -73.41 -35.94 65.91 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.667 0.27 . . . . 0.0 110.576 -179.704 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -78.89 -24.26 44.29 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 121.135 0.493 . . . . 0.0 109.734 179.012 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.503 ' HB2' ' O ' ' A' ' 60' ' ' GLU . 34.7 tp -75.0 -29.6 60.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.85 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 13.2 tmm? -82.64 -45.36 14.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.95 -179.63 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -63.4 -52.51 61.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.352 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.38 -7.47 31.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.846 -179.444 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.554 ' HB1' ' HD1' ' A' ' 81' ' ' PHE . . . -94.81 -48.77 5.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.78 0.324 . . . . 0.0 111.469 -179.727 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -94.49 118.71 32.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.077 0.465 . . . . 0.0 110.893 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.451 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 14.4 tt -83.58 -19.86 9.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.533 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.579 ' HB2' ' OE2' ' A' ' 80' ' ' GLU . 58.2 t0 -64.24 -13.0 46.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.309 179.612 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.451 ' HG2' ' O ' ' A' ' 70' ' ' ILE . 45.4 mmtm 46.73 28.02 0.75 Allowed 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.925 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 81.0 p -94.17 -1.37 54.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.055 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 90.01 -16.28 57.41 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.442 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.469 HG22 ' OG1' ' A' ' 41' ' ' THR . 69.3 p -110.75 127.63 55.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.857 0.36 . . . . 0.0 110.812 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.42 HD11 ' HB2' ' A' ' 81' ' ' PHE . 6.7 tp -98.47 140.57 17.95 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.481 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.492 ' HB3' ' HG3' ' A' ' 20' ' ' GLU . 56.3 m-20 -128.49 152.85 47.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.471 179.505 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.445 ' CB ' ' HA ' ' A' ' 20' ' ' GLU . 3.9 m-30 -60.33 -14.02 16.12 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.756 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.567 ' HA3' ' HB2' ' A' ' 20' ' ' GLU . . . -88.23 -40.87 6.37 Favored Glycine 0 N--CA 1.453 -0.185 0 C-N-CA 120.571 -0.823 . . . . 0.0 112.956 -179.732 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.579 ' OE2' ' HB2' ' A' ' 71' ' ' ASP . 51.1 mt-10 -88.15 -20.92 24.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.864 0.364 . . . . 0.0 111.032 -179.514 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.554 ' HD1' ' HB1' ' A' ' 68' ' ' ALA . 22.9 t80 -60.64 -56.01 26.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.759 179.634 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.403 HD12 ' HB ' ' A' ' 85' ' ' THR . 8.8 tp -75.82 -19.41 15.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.96 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -52.71 -29.84 29.01 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.161 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -125.15 71.07 1.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.842 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.403 ' HB ' HD12 ' A' ' 82' ' ' ILE . 88.5 m -139.75 -29.86 0.72 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.904 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 35.6 m -57.23 143.65 11.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.15 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 23.4 t-80 . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.213 -0.898 . . . . 0.0 110.836 -179.834 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.845 0.355 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.6 p -145.46 143.97 30.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.9 p -105.72 -28.83 10.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.87 46.27 0.18 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.4 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 16.0 m80 -127.03 -170.02 2.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.859 0.362 . . . . 0.0 110.816 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 51.3 mm -59.2 107.37 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.823 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -139.62 -73.85 0.37 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -133.96 -51.05 0.83 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.128 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -172.15 62.46 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.926 0.393 . . . . 0.0 111.366 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -97.64 -64.35 1.05 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.127 0.489 . . . . 0.0 110.846 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.483 ' NZ ' ' HG3' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -89.05 -18.43 27.31 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.129 179.86 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.478 ' CE1' ' HE3' ' A' ' 11' ' ' LYS . 90.8 m-70 -66.42 -20.88 66.18 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.934 -1.03 . . . . 0.0 110.594 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.43 ' HE3' ' HB2' ' A' ' 13' ' ' MET . 63.8 mtm -61.54 -29.87 70.28 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.999 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -94.95 -14.47 24.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.221 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.483 ' HG3' ' NZ ' ' A' ' 11' ' ' LYS . 54.7 mm-40 -93.1 22.68 4.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.943 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.447 ' HG2' HH11 ' A' ' 16' ' ' ARG . 67.8 mtt-85 -80.97 83.38 6.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.888 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.524 HD13 HD11 ' A' ' 22' ' ' ILE . 0.9 OUTLIER -63.32 169.86 3.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.253 179.891 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.52 ' O ' HG12 ' A' ' 22' ' ' ILE . 22.7 t -138.76 -165.47 1.83 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.987 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.543 ' HA ' ' HB ' ' A' ' 22' ' ' ILE . 57.5 mt-10 -51.42 -23.77 4.22 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.648 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.0 tp10 -55.81 -22.85 26.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.2 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.731 ' HA ' ' HB3' ' A' ' 78' ' ' TYR . 88.8 tt0 -124.62 -20.66 5.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.543 ' HB ' ' HA ' ' A' ' 19' ' ' GLU . 49.8 mm -74.71 -24.1 18.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.187 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -52.06 -62.99 5.17 Favored Glycine 0 C--N 1.331 0.259 0 C-N-CA 121.071 -0.585 . . . . 0.0 113.066 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -78.36 -18.01 76.87 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.448 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.824 HD13 ' HA2' ' A' ' 38' ' ' GLY . 29.1 tp -54.88 -21.91 13.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.768 0.318 . . . . 0.0 111.576 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -73.28 -67.7 0.56 Allowed 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -178.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -89.13 -67.71 0.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -178.483 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 96.0 mt -44.81 -63.72 0.85 Allowed 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 113.29 0.848 . . . . 0.0 113.29 -177.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.573 ' HB2' ' HA ' ' A' ' 25' ' ' LEU . 10.8 m-85 -59.29 -65.21 0.71 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -178.169 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.583 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 27.6 mtpp -41.95 -30.81 0.29 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.897 -178.735 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 54.7 ttm -89.83 -31.7 17.25 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 47.3 mm -93.87 -65.32 1.12 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.398 0 CA-C-O 121.066 0.46 . . . . 0.0 110.224 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.572 ' HA ' ' OE2' ' A' ' 44' ' ' GLU . 67.8 t0 -48.81 102.45 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.7 179.112 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 90.5 m -59.94 -15.68 23.8 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-O 121.63 0.729 . . . . 0.0 109.385 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.497 ' HB3' ' OG ' ' A' ' 37' ' ' SER . 66.2 m-20 -100.74 -17.78 16.79 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 114.675 -1.148 . . . . 0.0 111.96 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.438 ' ND2' ' HA ' ' A' ' 30' ' ' LYS . 4.1 m120 51.03 17.7 0.47 Allowed 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 -178.734 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.497 ' OG ' ' HB3' ' A' ' 35' ' ' ASP . 15.9 m -69.84 -15.73 63.15 Favored 'General case' 0 CA--C 1.511 -0.54 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.824 ' HA2' HD13 ' A' ' 25' ' ' LEU . . . 101.29 3.88 53.63 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 114.484 -1.235 . . . . 0.0 111.792 -179.433 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 69.4 p -139.19 136.47 35.08 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.643 ' HA ' ' OE2' ' A' ' 44' ' ' GLU . 59.4 mt -104.1 136.48 37.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.848 -179.633 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.579 HG23 ' O ' ' A' ' 74' ' ' GLY . 15.5 m -131.7 162.45 30.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.355 -179.449 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.562 ' HE1' ' HB ' ' A' ' 61' ' ' ILE . 55.1 t80 -49.24 -32.22 10.23 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 124.035 0.934 . . . . 0.0 112.217 179.68 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -66.5 -58.44 5.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.085 0.469 . . . . 0.0 110.642 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.643 ' OE2' ' HA ' ' A' ' 40' ' ' ILE . 12.6 pt-20 -75.55 -17.31 60.11 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.248 179.681 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.517 HD23 HG22 ' A' ' 61' ' ' ILE . 37.6 tp -55.46 -67.1 0.31 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.117 -179.117 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.833 ' HB3' HD13 ' A' ' 61' ' ' ILE . 26.1 pttm -54.96 -38.57 67.94 Favored 'General case' 0 C--O 1.222 -0.366 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.83 -179.24 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.48 ' O ' ' HB2' ' A' ' 51' ' ' ARG . 30.3 m-20 -46.14 -15.02 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 -179.559 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 46' ' ' LYS . . . -86.65 -60.3 1.72 Allowed Glycine 0 N--CA 1.453 -0.194 0 C-N-CA 120.733 -0.746 . . . . 0.0 113.437 -178.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 87.1 mt -85.27 -21.37 29.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.142 0.496 . . . . 0.0 110.759 -179.553 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.843 ' HE3' ' HB3' ' A' ' 56' ' ' LEU . 11.6 mptt -86.78 -15.18 40.1 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.104 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.515 ' C ' ' HD3' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -43.24 -35.9 1.6 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.832 179.685 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 35.5 m -101.35 -22.41 4.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.375 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 59.07 48.26 86.78 Favored Glycine 0 C--N 1.331 0.297 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.222 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 45.5 t -75.56 -84.03 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.782 0.289 . . . . 0.0 111.782 -179.292 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -115.1 -16.1 11.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.606 -178.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.843 ' HB3' ' HE3' ' A' ' 50' ' ' LYS . 3.0 mm? -49.42 148.64 2.61 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-O 121.472 0.653 . . . . 0.0 112.106 -179.591 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.458 ' C ' ' H ' ' A' ' 59' ' ' SER . 48.6 ttm -126.05 132.7 51.9 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 114.899 -1.046 . . . . 0.0 109.427 178.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.513 ' HA ' ' CD1' ' A' ' 61' ' ' ILE . 38.6 tt0 -51.18 -9.71 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.538 -179.714 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.458 ' H ' ' C ' ' A' ' 57' ' ' MET . 86.4 p -85.13 -41.47 15.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.98 -179.159 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.466 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 44.1 tt0 -64.4 -25.16 67.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.559 0.219 . . . . 0.0 111.058 -179.436 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.833 HD13 ' HB3' ' A' ' 46' ' ' LYS . 3.9 mt -63.15 -24.6 36.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.349 -179.484 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.443 ' HE3' ' O ' ' A' ' 58' ' ' GLU . 29.1 mmtp -70.84 -64.23 0.94 Allowed 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 121.104 0.478 . . . . 0.0 109.748 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.489 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 8.7 t70 -59.42 -17.13 28.08 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 178.274 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.487 ' O ' ' HB2' ' A' ' 68' ' ' ALA . 40.6 tp -80.61 -45.68 16.9 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.514 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.462 ' HG3' ' HB2' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -88.07 -55.77 3.61 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.655 -178.932 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -50.44 -40.71 51.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.452 -179.216 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.489 ' HB3' ' O ' ' A' ' 63' ' ' ASP . . . -83.09 -17.35 43.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.728 0.299 . . . . 0.0 111.298 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.689 ' HB1' HD12 ' A' ' 76' ' ' ILE . . . -62.65 -56.64 15.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.173 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.576 ' HB2' ' OE1' ' A' ' 80' ' ' GLU . 7.4 p-10 -110.3 127.64 55.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.123 0.487 . . . . 0.0 110.491 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.596 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 15.9 tt -83.91 -14.39 11.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.541 -179.568 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.45 ' HB2' ' OE2' ' A' ' 80' ' ' GLU . 56.9 t0 -59.01 -20.66 55.12 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.45 179.749 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.596 ' HG2' ' O ' ' A' ' 70' ' ' ILE . 34.0 mmtp 58.36 15.24 3.33 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-N 115.987 -0.552 . . . . 0.0 109.943 -179.487 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 87.3 p -77.34 0.74 21.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.371 -0.832 . . . . 0.0 111.382 -179.275 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.579 ' O ' HG23 ' A' ' 41' ' ' THR . . . 78.23 -3.36 62.48 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.259 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.473 HG22 ' OG1' ' A' ' 41' ' ' THR . 70.3 p -140.44 132.53 27.94 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 179.625 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.689 HD12 ' HB1' ' A' ' 68' ' ' ALA . 15.0 tt -94.58 140.62 16.36 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 CA-C-O 121.091 0.472 . . . . 0.0 111.73 -179.33 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -110.76 167.96 9.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.248 179.387 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.731 ' HB3' ' HA ' ' A' ' 21' ' ' GLU . 33.2 t80 -73.24 -32.35 64.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.169 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -74.16 -26.4 68.6 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.776 -0.726 . . . . 0.0 113.113 -179.267 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.576 ' OE1' ' HB2' ' A' ' 69' ' ' ASP . 34.2 tt0 -88.49 -43.11 11.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.913 0.387 . . . . 0.0 110.764 -179.775 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.514 ' HB2' HD11 ' A' ' 76' ' ' ILE . 28.9 t80 -57.38 -42.64 82.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.145 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 13.8 tt -66.31 -30.76 50.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.393 -179.668 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.74 -30.86 70.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.343 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -126.98 104.77 8.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.186 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 8.4 t -144.23 -33.86 0.39 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 46.4 t 57.0 92.91 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.435 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 75.5 t60 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.886 179.8 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 22.0 m80 . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 120.843 0.354 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.9 t -78.16 145.58 35.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.2 t -63.03 -17.73 62.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.49 105.43 0.21 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.497 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 10.8 p80 -76.77 -1.32 27.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.84 0.352 . . . . 0.0 110.915 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 62.2 mt -99.68 81.22 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.613 179.568 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -167.91 -55.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.574 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -118.59 145.02 45.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.869 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -93.84 33.06 1.35 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -93.21 -52.24 4.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.798 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.501 ' C ' ' HD3' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -82.17 -29.78 31.34 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.589 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.46 ' N ' ' HD3' ' A' ' 11' ' ' LYS . 39.8 t-80 -72.57 -24.06 61.05 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.452 -179.701 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 50.4 ttm -63.54 -30.45 71.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.055 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -93.08 -11.87 31.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.144 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.413 ' C ' ' H ' ' A' ' 17' ' ' LEU . 91.5 mt-10 -126.66 29.27 5.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.871 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.65 22.04 0.1 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.811 -179.712 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.514 ' N ' HD22 ' A' ' 17' ' ' LEU . 2.8 mm? -71.15 146.21 49.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.759 0.314 . . . . 0.0 110.697 179.696 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.483 ' HB3' ' HG2' ' A' ' 20' ' ' GLU . 55.6 m -102.4 86.51 2.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.913 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.453 ' CD ' ' H ' ' A' ' 19' ' ' GLU . 0.5 OUTLIER -65.05 -14.68 61.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.818 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.804 ' HB2' HD11 ' A' ' 82' ' ' ILE . 24.5 pt-20 -49.15 -28.53 4.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.277 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -130.37 -18.08 3.27 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.332 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 45.3 mm -95.38 -38.16 8.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -179.411 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.569 ' C ' ' HB2' ' A' ' 28' ' ' LEU . . . -95.88 -64.02 0.96 Allowed Glycine 0 C--N 1.332 0.308 0 C-N-CA 120.619 -0.801 . . . . 0.0 112.868 -179.418 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.531 ' O ' ' HB2' ' A' ' 29' ' ' PHE . . . -55.09 -2.92 0.25 Allowed Glycine 0 N--CA 1.451 -0.349 0 CA-C-N 115.556 -0.322 . . . . 0.0 113.504 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.5 HD13 ' C ' ' A' ' 25' ' ' LEU . 3.2 tm? -82.85 -63.35 1.38 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 117.327 0.563 . . . . 0.0 111.943 -178.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -92.53 -69.54 0.74 Allowed 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 114.774 1.398 . . . . 0.0 114.774 -177.646 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -89.51 -67.88 0.81 Allowed 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 -176.412 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.569 ' HB2' ' C ' ' A' ' 23' ' ' GLY . 3.8 mm? -38.37 -35.87 0.2 Allowed 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 -177.465 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.531 ' HB2' ' O ' ' A' ' 24' ' ' GLY . 0.5 OUTLIER -55.27 -58.09 9.14 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.914 0.388 . . . . 0.0 111.264 -179.699 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -70.84 -21.14 62.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.627 -179.456 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 25.1 mmt -88.02 -17.51 31.03 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -178.705 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.515 HG12 ' O ' ' A' ' 28' ' ' LEU . 29.9 mm -93.67 -54.42 7.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.365 0.603 . . . . 0.0 109.796 179.273 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.4 ' OD2' ' N ' ' A' ' 36' ' ' ASN . 12.4 t70 -56.58 105.78 0.24 Allowed 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.988 179.084 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.1 t -56.89 -25.6 57.34 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-O 121.748 0.785 . . . . 0.0 109.61 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -76.72 -24.91 53.07 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.262 -1.335 . . . . 0.0 110.299 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.4 ' N ' ' OD2' ' A' ' 33' ' ' ASP . 5.3 m120 53.37 16.66 0.91 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.002 -179.365 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 70.6 p -77.31 -19.26 56.64 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 107.83 14.57 16.99 Favored Glycine 0 N--CA 1.451 -0.324 0 CA-C-N 114.972 -1.013 . . . . 0.0 112.373 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.522 ' HB ' ' CG2' ' A' ' 75' ' ' THR . 24.2 p -157.44 142.61 17.0 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.481 HD12 ' HE1' ' A' ' 78' ' ' TYR . 84.2 mt -104.58 143.71 15.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.662 0.268 . . . . 0.0 110.966 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.541 ' O ' ' HG2' ' A' ' 44' ' ' GLU . 82.8 p -134.26 145.14 48.83 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.286 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.568 ' HB2' ' HG2' ' A' ' 65' ' ' MET . 35.1 t80 -34.83 -43.25 0.18 Allowed 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 123.333 0.653 . . . . 0.0 112.391 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -48.28 -49.64 32.86 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.935 0.398 . . . . 0.0 110.748 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.541 ' HG2' ' O ' ' A' ' 41' ' ' THR . 12.7 pt-20 -86.61 -33.24 20.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.546 179.596 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.597 HD22 ' HB3' ' A' ' 65' ' ' MET . 48.5 tp -43.64 -62.57 1.05 Allowed 'General case' 0 C--O 1.231 0.131 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.471 -179.594 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.513 ' HB3' HG21 ' A' ' 61' ' ' ILE . 14.1 ptmm? -49.62 -54.49 18.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.901 -179.522 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.641 ' HA ' ' HB3' ' A' ' 50' ' ' LYS . 58.7 m-20 -64.01 -16.07 60.82 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.773 0.32 . . . . 0.0 111.46 -179.589 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -74.88 -43.58 27.29 Favored Glycine 0 CA--C 1.505 -0.533 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.618 ' HG ' HD23 ' A' ' 56' ' ' LEU . 28.8 tp -89.43 -19.38 25.22 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 178.606 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.641 ' HB3' ' HA ' ' A' ' 47' ' ' ASP . 57.4 tptt -79.18 -26.38 42.68 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.994 179.502 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.477 ' HA ' ' HE ' ' A' ' 51' ' ' ARG . 5.6 tpm_? -46.62 -30.04 2.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.088 179.624 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.552 HG22 ' O ' ' A' ' 49' ' ' LEU . 23.8 m -89.9 -31.45 5.27 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.273 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 59.01 49.46 78.26 Favored Glycine 0 C--N 1.332 0.339 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.929 179.35 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 44.6 t -79.78 -99.13 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.825 0.312 . . . . 0.0 110.851 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -141.16 54.1 1.56 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.987 0.422 . . . . 0.0 110.071 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.618 HD23 ' HG ' ' A' ' 49' ' ' LEU . 1.1 pp -103.57 164.45 11.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.462 0.649 . . . . 0.0 112.568 -179.007 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.446 ' HG3' ' HG2' ' A' ' 60' ' ' GLU . 21.1 ptm -126.53 120.9 30.8 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.934 -1.03 . . . . 0.0 109.644 178.712 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -55.23 -9.71 0.46 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.77 -179.241 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.5 t -75.67 -28.78 58.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.338 -179.322 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.446 ' HG2' ' HG3' ' A' ' 57' ' ' MET . 58.5 mm-40 -89.16 -17.81 28.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.96 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.513 HG21 ' HB3' ' A' ' 46' ' ' LYS . 41.2 mm -69.45 -39.93 79.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.75 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.586 ' HD2' ' N ' ' A' ' 63' ' ' ASP . 0.0 OUTLIER -75.81 -27.7 58.02 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.997 0.427 . . . . 0.0 110.524 179.823 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.586 ' N ' ' HD2' ' A' ' 62' ' ' LYS . 8.9 t70 -86.26 -18.86 30.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.108 179.523 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.435 ' HB2' ' O ' ' A' ' 60' ' ' GLU . 41.8 tp -78.52 -44.41 24.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.416 179.758 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.597 ' HB3' HD22 ' A' ' 45' ' ' LEU . 3.7 ppp? -73.4 -19.78 60.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.979 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -84.07 -40.4 18.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.805 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -79.77 -46.94 16.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.265 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.74 -53.68 55.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.222 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.494 ' HB2' ' HB ' ' A' ' 76' ' ' ILE . 4.4 t70 -83.53 114.57 21.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.078 0.466 . . . . 0.0 110.697 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.563 HG21 ' HA ' ' A' ' 84' ' ' ALA . 14.2 tt -85.25 -20.63 8.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.024 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.525 ' O ' ' HG3' ' A' ' 72' ' ' LYS . 29.9 t70 -63.76 -10.45 19.8 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.226 -179.655 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.525 ' HG3' ' O ' ' A' ' 71' ' ' ASP . 7.2 pttm 39.92 27.05 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.603 179.675 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 89.2 p -90.72 -0.97 57.87 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.221 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 88.1 -19.15 36.23 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.565 -0.826 . . . . 0.0 111.571 -179.441 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.522 ' CG2' ' HB ' ' A' ' 39' ' ' THR . 96.7 m -111.33 127.17 55.56 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 179.2 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.494 ' HB ' ' HB2' ' A' ' 69' ' ' ASP . 14.1 tt -114.85 152.51 16.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 -178.167 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.417 ' N ' HG12 ' A' ' 76' ' ' ILE . 1.5 m-20 -131.07 154.63 48.05 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 114.659 -1.155 . . . . 0.0 109.329 178.566 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.548 ' HB3' ' O ' ' A' ' 20' ' ' GLU . 2.2 m-85 -70.63 -20.44 62.73 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.998 -179.744 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -83.53 -23.58 53.28 Favored Glycine 0 CA--C 1.521 0.442 0 C-N-CA 120.794 -0.717 . . . . 0.0 113.826 -179.357 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.656 ' HB2' ' O ' ' A' ' 84' ' ' ALA . 15.6 pt-20 -88.15 -36.37 16.89 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 117.221 0.511 . . . . 0.0 111.635 -179.289 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -48.05 -24.2 1.02 Allowed 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.804 HD11 ' HB2' ' A' ' 20' ' ' GLU . 1.9 mp -86.9 -69.49 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -178.818 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -82.14 -67.34 0.79 Allowed 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -178.417 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.656 ' O ' ' HB2' ' A' ' 80' ' ' GLU . . . -175.14 -77.56 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.766 0.317 . . . . 0.0 111.275 -179.67 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.451 HG22 ' HB2' ' A' ' 71' ' ' ASP . 44.4 p -146.33 -80.31 0.16 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.942 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 7.2 p -173.74 130.37 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.949 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 41.9 m170 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.889 -179.876 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 18.6 m80 . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.807 0.337 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.7 m -150.54 -171.5 3.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.7 p -96.78 17.9 15.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.43 154.59 6.51 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.398 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 17.1 m80 -97.75 81.12 2.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.839 0.352 . . . . 0.0 110.867 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.476 HG22 ' H ' ' A' ' 8' ' ' ASP . 66.4 mt -106.19 122.86 60.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.978 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.893 ' HA ' ' HB2' ' A' ' 11' ' ' LYS . 53.0 p-10 -86.11 36.82 0.69 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.023 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.476 ' H ' HG22 ' A' ' 6' ' ' ILE . 49.6 m-20 -125.05 15.31 8.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.365 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -157.06 -85.74 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 111.788 0.292 . . . . 0.0 111.788 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -77.55 -32.64 54.02 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.909 0.385 . . . . 0.0 111.433 -179.085 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.893 ' HB2' ' HA ' ' A' ' 7' ' ' ASP . 2.7 mmmp? -86.85 -10.4 53.51 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.753 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 19.2 t-160 -87.03 -43.15 12.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.587 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 27.4 ttt -62.72 -18.11 61.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.977 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.73 -19.77 28.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.076 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -121.61 14.07 10.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.866 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.436 ' O ' ' HD2' ' A' ' 16' ' ' ARG . 6.0 ppt_? -53.22 162.64 0.68 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.482 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 66.9 mt -58.84 132.54 54.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.209 -179.601 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.522 ' O ' HG12 ' A' ' 22' ' ' ILE . 47.2 t -134.88 89.56 2.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.772 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -80.92 -9.3 59.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.265 -179.681 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -66.77 -14.94 63.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.151 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.473 ' O ' HD23 ' A' ' 25' ' ' LEU . 41.3 tt0 -122.8 0.17 9.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.063 -179.554 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.522 HG12 ' O ' ' A' ' 18' ' ' SER . 49.1 mm -95.91 -37.07 7.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -179.639 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.574 ' HA3' HD22 ' A' ' 28' ' ' LEU . . . -95.71 -49.93 2.06 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.572 -0.823 . . . . 0.0 113.567 -178.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.754 ' HA2' ' HB2' ' A' ' 29' ' ' PHE . . . -57.67 -10.82 6.69 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 121.05 -0.595 . . . . 0.0 113.566 -178.873 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.473 HD23 ' O ' ' A' ' 21' ' ' GLU . 4.3 mm? -88.35 -59.6 2.19 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -179.646 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.454 ' O ' ' HB2' ' A' ' 30' ' ' LYS . 66.7 mttm -92.29 -68.78 0.78 Allowed 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 115.46 1.652 . . . . 0.0 115.46 -177.133 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -90.32 -69.62 0.72 Allowed 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 116.163 1.912 . . . . 0.0 116.163 -175.176 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.574 HD22 ' HA3' ' A' ' 23' ' ' GLY . 10.1 mp -38.51 -64.1 0.45 Allowed 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 -175.72 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.754 ' HB2' ' HA2' ' A' ' 24' ' ' GLY . 2.1 t80 -71.53 -57.59 4.28 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -177.463 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.521 ' HD3' ' HA2' ' A' ' 38' ' ' GLY . 73.9 mmtt -47.85 -25.53 1.33 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -178.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 50.5 ttm -90.15 -22.56 21.67 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 112.534 0.568 . . . . 0.0 112.534 -178.726 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.794 HG23 HD11 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -91.72 -39.85 11.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.549 0.214 . . . . 0.0 110.886 -179.242 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.415 ' HA ' HG12 ' A' ' 40' ' ' ILE . 30.4 t70 -53.49 126.09 20.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.916 0.389 . . . . 0.0 110.443 179.585 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 89.3 m -61.93 -15.83 46.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.111 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.412 ' HB2' ' OD2' ' A' ' 33' ' ' ASP . 71.7 m-20 -104.42 -13.76 15.97 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.662 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 32.0 m120 53.2 16.77 0.86 Allowed 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 -179.258 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 59.7 p -80.01 -19.07 48.62 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.752 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.521 ' HA2' ' HD3' ' A' ' 30' ' ' LYS . . . 107.01 0.59 35.93 Favored Glycine 0 N--CA 1.452 -0.266 0 CA-C-N 115.21 -0.904 . . . . 0.0 112.726 179.651 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.562 ' HB ' ' HB ' ' A' ' 75' ' ' THR . 75.5 p -139.05 131.59 28.74 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 179.566 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.794 HD11 HG23 ' A' ' 32' ' ' ILE . 72.8 mt -104.31 140.74 21.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.992 -179.608 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.5 ' O ' ' N ' ' A' ' 45' ' ' LEU . 2.1 t -116.24 165.01 13.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.01 0.433 . . . . 0.0 111.401 179.732 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.4 ' HB2' ' HG3' ' A' ' 65' ' ' MET . 28.1 t80 -37.65 -61.54 0.61 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.83 -1.077 . . . . 0.0 112.6 179.767 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.567 ' HA ' ' HE2' ' A' ' 46' ' ' LYS . 8.5 t70 -51.4 -38.69 54.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.853 0.358 . . . . 0.0 111.147 -179.308 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 77.5 mt-10 -89.29 -14.03 36.7 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.863 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 41' ' ' THR . 42.5 tp -72.49 -49.75 30.84 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.584 -179.776 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.567 ' HE2' ' HA ' ' A' ' 43' ' ' ASP . 59.4 pttt -60.29 -22.17 62.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.619 -0.718 . . . . 0.0 111.182 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.743 ' HA ' ' HB3' ' A' ' 50' ' ' LYS . 33.3 t70 -56.49 -17.44 8.3 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.033 0.444 . . . . 0.0 110.398 179.644 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -70.43 -48.64 35.95 Favored Glycine 0 N--CA 1.45 -0.429 0 N-CA-C 111.101 -0.8 . . . . 0.0 111.101 179.15 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.565 ' O ' HD23 ' A' ' 56' ' ' LEU . 2.9 mm? -89.96 -13.95 35.1 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 178.621 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.743 ' HB3' ' HA ' ' A' ' 47' ' ' ASP . 87.4 tttt -75.54 -38.71 59.1 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.546 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 56.7 ttp180 -44.91 -38.15 4.45 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.303 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 35.5 m -89.67 -30.35 5.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.154 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 45.42 48.29 11.54 Favored Glycine 0 C--N 1.333 0.37 0 CA-C-N 116.147 -0.479 . . . . 0.0 113.287 179.48 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 46.0 t -79.64 -81.93 0.11 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.86 0.362 . . . . 0.0 110.739 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.416 ' O ' ' HG2' ' A' ' 55' ' ' GLU . 86.3 tt0 -150.32 39.85 0.76 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.397 0.618 . . . . 0.0 109.788 179.562 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.565 HD23 ' O ' ' A' ' 49' ' ' LEU . 1.9 pp -60.55 178.4 0.22 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.976 -179.518 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.459 ' HG2' ' H ' ' A' ' 59' ' ' SER . 49.0 ttm -126.34 107.18 10.06 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.01 -0.996 . . . . 0.0 109.569 178.793 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -58.17 -12.81 3.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.132 0.492 . . . . 0.0 110.231 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.459 ' H ' ' HG2' ' A' ' 57' ' ' MET . 47.4 t -87.68 -27.97 22.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.728 179.406 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.437 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 44.8 tt0 -70.2 -33.11 71.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.692 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.506 HG21 ' HB3' ' A' ' 46' ' ' LYS . 35.2 mm -59.75 -18.77 15.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.734 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 26.6 mmmt -73.99 -65.01 0.89 Allowed 'General case' 0 CA--C 1.513 -0.463 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 179.345 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -57.6 -17.17 12.93 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 178.001 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.67 ' O ' ' HB2' ' A' ' 68' ' ' ALA . 5.0 tt -86.28 -35.34 19.99 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.453 179.767 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.4 ' HG3' ' HB2' ' A' ' 42' ' ' PHE . 11.4 tmm? -87.79 -57.9 2.77 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.204 -179.536 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -48.95 -36.77 18.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.315 -179.487 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -92.86 -12.53 30.8 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.549 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.957 ' HB1' HD12 ' A' ' 76' ' ' ILE . . . -59.89 -57.85 11.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.753 -179.723 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.66 ' HB3' ' HA ' ' A' ' 76' ' ' ILE . 12.5 p-10 -105.56 129.27 53.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.285 0.564 . . . . 0.0 111.233 -179.455 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.685 HD13 ' O ' ' A' ' 70' ' ' ILE . 0.2 OUTLIER -83.61 -12.73 11.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.062 179.624 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -69.0 -11.24 60.6 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.925 -1.034 . . . . 0.0 110.478 179.419 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.626 ' HD3' ' O ' ' A' ' 70' ' ' ILE . 0.5 OUTLIER 43.08 30.24 0.25 Allowed 'General case' 0 CA--C 1.522 -0.126 0 CA-C-O 121.117 0.484 . . . . 0.0 111.396 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 93.0 p -93.49 -0.39 56.4 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.925 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 87.26 -7.88 78.99 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.503 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.562 ' HB ' ' HB ' ' A' ' 39' ' ' THR . 73.5 p -124.0 131.24 53.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.843 0.354 . . . . 0.0 110.887 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.957 HD12 ' HB1' ' A' ' 68' ' ' ALA . 9.3 tt -90.37 148.62 4.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.481 -179.759 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -131.07 149.37 52.64 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.516 -0.766 . . . . 0.0 109.551 179.172 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.598 ' CB ' ' HA3' ' A' ' 24' ' ' GLY . 6.1 t80 -51.47 -41.0 60.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.752 0.31 . . . . 0.0 111.56 -179.24 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -72.57 -26.13 72.45 Favored Glycine 0 CA--C 1.517 0.178 0 C-N-CA 120.964 -0.636 . . . . 0.0 113.116 -179.404 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.427 ' OE1' ' HB2' ' A' ' 69' ' ' ASP . 94.5 mt-10 -88.12 -23.03 23.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.911 0.386 . . . . 0.0 111.075 -179.757 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -66.19 -33.61 76.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.9 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 13.7 tt -84.57 -28.09 6.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.057 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.33 -27.37 35.45 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.986 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -88.52 -89.01 0.14 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.945 179.75 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 94.0 m -158.66 143.92 16.35 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.786 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 35.3 m -94.43 -169.53 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.937 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 43.7 m170 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.285 -0.864 . . . . 0.0 110.759 179.786 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.81 0.338 . . . . 0.0 111.261 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.6 m -105.47 158.25 16.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.725 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.7 p -88.93 19.64 4.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.988 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.94 154.91 2.76 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.463 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 19.9 m80 -113.16 41.18 2.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.868 0.366 . . . . 0.0 110.937 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 63.6 mt -67.95 88.85 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.79 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -165.95 -80.89 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -166.79 26.08 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.029 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -92.66 -90.24 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.702 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -98.78 -13.51 20.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.006 0.432 . . . . 0.0 110.664 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.4 mmtm -87.22 -9.14 55.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.281 -179.362 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.707 ' HB2' HD23 ' A' ' 17' ' ' LEU . 9.4 p-80 -64.77 -29.65 70.63 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-O 121.289 0.566 . . . . 0.0 109.889 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.579 ' HG3' HD13 ' A' ' 22' ' ' ILE . 55.7 ttp -87.4 -8.6 56.37 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.83 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.96 -19.41 23.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.912 -179.523 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.794 ' HG3' ' H ' ' A' ' 16' ' ' ARG . 13.1 pt-20 -91.58 -90.52 0.16 Allowed 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 120.6 0.238 . . . . 0.0 111.639 -179.551 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.794 ' H ' ' HG3' ' A' ' 15' ' ' GLU . 58.9 mtt85 -151.52 -11.52 0.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.092 -179.68 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.707 HD23 ' HB2' ' A' ' 12' ' ' HIS . 30.4 tp -62.33 104.92 0.54 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.082 0.467 . . . . 0.0 111.46 -179.044 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 80.2 p -147.73 107.59 4.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.776 179.409 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.599 ' HB3' ' OE2' ' A' ' 20' ' ' GLU . 88.9 tt0 -57.11 -61.13 2.67 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.615 -178.613 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.599 ' OE2' ' HB3' ' A' ' 19' ' ' GLU . 2.0 pm0 -92.96 -68.28 0.81 Allowed 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 120.613 -0.435 . . . . 0.0 111.884 179.301 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 1.044 ' HB3' ' HB2' ' A' ' 78' ' ' TYR . 17.1 tp10 -177.86 25.31 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 121.147 0.498 . . . . 0.0 110.026 179.361 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.579 HD13 ' HG3' ' A' ' 13' ' ' MET . 2.6 pp -50.97 -12.75 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.326 -179.391 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.578 ' N ' HD12 ' A' ' 22' ' ' ILE . . . -54.47 -40.54 69.73 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.97 -0.633 . . . . 0.0 112.887 -179.702 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.425 ' HA3' HD21 ' A' ' 28' ' ' LEU . . . -92.93 -4.63 64.92 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.803 -179.801 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.549 HD13 ' C ' ' A' ' 25' ' ' LEU . 2.4 tm? -54.81 -43.83 73.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.751 0.31 . . . . 0.0 111.625 -179.637 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.95 ' HA ' ' HE3' ' A' ' 30' ' ' LYS . 6.5 ttpm? -76.41 -30.73 57.57 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -178.201 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -89.01 -68.94 0.74 Allowed 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 -177.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.833 ' H ' HD23 ' A' ' 28' ' ' LEU . 0.8 OUTLIER -90.73 -56.47 3.17 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 114.511 1.3 . . . . 0.0 114.511 -177.427 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.545 ' HB2' ' HA ' ' A' ' 25' ' ' LEU . 0.9 OUTLIER -37.36 -65.25 0.32 Allowed 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 -176.833 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.95 ' HE3' ' HA ' ' A' ' 26' ' ' LYS . 10.4 mtmp? -53.42 -44.36 68.73 Favored 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 111.738 0.273 . . . . 0.0 111.738 -179.262 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 44.5 tpp -56.29 -21.57 24.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.807 0.337 . . . . 0.0 111.111 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 48.9 mm -93.5 -59.01 3.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.244 0.545 . . . . 0.0 110.43 179.532 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.518 ' OD2' ' HB3' ' A' ' 35' ' ' ASP . 30.8 t70 -57.6 111.35 1.09 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.201 -0.908 . . . . 0.0 110.794 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 60.8 m -61.99 -9.85 8.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.09 0.471 . . . . 0.0 110.134 179.568 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.518 ' HB3' ' OD2' ' A' ' 33' ' ' ASP . 53.6 t0 -94.31 -23.06 17.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.644 -179.619 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 54.67 15.23 1.02 Allowed 'General case' 0 C--O 1.231 0.092 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.112 -179.229 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 81.0 p -80.9 -21.28 40.72 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-O 121.201 0.524 . . . . 0.0 110.007 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.463 ' HA2' HD21 ' A' ' 25' ' ' LEU . . . 109.33 10.73 23.28 Favored Glycine 0 N--CA 1.452 -0.284 0 CA-C-N 115.341 -0.845 . . . . 0.0 112.138 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 52.5 p -151.35 134.54 15.98 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.569 ' HB ' HG23 ' A' ' 76' ' ' ILE . 80.7 mt -103.75 149.3 7.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.743 0.306 . . . . 0.0 111.001 -179.741 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.786 HG22 HG22 ' A' ' 75' ' ' THR . 82.0 p -136.4 141.57 43.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.241 179.496 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.503 ' CZ ' ' HB3' ' A' ' 62' ' ' LYS . 26.0 t80 -38.5 -35.01 0.16 Allowed 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -58.53 -50.2 74.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.007 0.432 . . . . 0.0 110.428 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.484 ' OE1' ' HB2' ' A' ' 35' ' ' ASP . 13.0 pt-20 -86.81 -17.14 34.15 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.628 179.404 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.588 HD22 ' HB3' ' A' ' 65' ' ' MET . 20.9 tp -59.69 -61.37 2.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.844 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.726 ' HB3' HG21 ' A' ' 61' ' ' ILE . 22.1 pttp -57.33 -39.87 76.79 Favored 'General case' 0 C--O 1.224 -0.248 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.402 -179.706 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 54.5 t0 -51.14 -16.35 0.47 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.843 0.354 . . . . 0.0 111.356 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -75.38 -54.76 5.41 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.721 -0.752 . . . . 0.0 111.925 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.532 HD22 ' N ' ' A' ' 49' ' ' LEU . 2.8 mm? -87.25 -13.0 45.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.878 0.37 . . . . 0.0 110.093 179.4 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -77.86 -43.15 31.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.882 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.2 tpp85 -49.76 -35.32 21.93 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.184 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 34.2 m -87.7 -29.99 5.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.228 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 49.08 48.71 31.36 Favored Glycine 0 C--N 1.332 0.354 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.91 179.501 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 42.1 t -86.33 -95.78 0.08 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.699 0.285 . . . . 0.0 110.835 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -135.88 66.61 1.5 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.073 0.463 . . . . 0.0 110.249 179.756 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.672 HD13 ' H ' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -106.13 177.69 4.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.566 -179.515 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.531 ' O ' HG13 ' A' ' 61' ' ' ILE . 73.0 mtp -125.3 108.02 11.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.223 179.496 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.549 ' HA ' HD12 ' A' ' 61' ' ' ILE . 88.8 tt0 -56.34 -14.72 3.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.154 0.502 . . . . 0.0 109.975 179.453 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 45.2 t -87.63 -41.13 13.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.86 179.575 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.519 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 44.5 tt0 -67.45 -34.12 76.55 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.557 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.726 HG21 ' HB3' ' A' ' 46' ' ' LYS . 59.0 mt -52.88 -51.66 35.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.503 ' HB3' ' CZ ' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -79.67 -33.58 41.08 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.897 -179.89 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.411 ' N ' ' HD3' ' A' ' 62' ' ' LYS . 85.8 m-20 -68.23 -17.86 64.42 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.057 0.456 . . . . 0.0 110.336 179.041 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.519 ' HB2' ' O ' ' A' ' 60' ' ' GLU . 1.1 tm? -85.51 -53.46 5.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.441 -179.607 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.588 ' HB3' HD22 ' A' ' 45' ' ' LEU . 4.2 ppp? -66.97 -26.02 66.61 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.247 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -62.78 -36.05 81.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.105 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -92.64 -28.7 16.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.417 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -74.75 -4.9 40.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.131 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -126.68 103.72 7.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.554 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 80.9 mt -83.6 -24.98 7.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.596 -179.486 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.563 ' C ' ' HD3' ' A' ' 72' ' ' LYS . 59.6 m-20 -71.47 6.62 1.73 Allowed 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 111.729 0.27 . . . . 0.0 111.729 -179.634 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.563 ' HD3' ' C ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER 32.36 43.29 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 122.755 0.422 . . . . 0.0 111.716 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 80.4 p -104.59 -3.33 23.96 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.841 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 82.65 0.72 90.27 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.594 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.786 HG22 HG22 ' A' ' 41' ' ' THR . 70.1 p -125.11 126.17 44.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.705 0.288 . . . . 0.0 110.637 179.715 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.569 HG23 ' HB ' ' A' ' 40' ' ' ILE . 6.3 tt -93.22 122.67 44.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.998 0.428 . . . . 0.0 111.603 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.426 ' HA ' ' HZ ' ' A' ' 29' ' ' PHE . 10.3 p-10 -121.01 163.1 18.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.659 179.401 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 1.044 ' HB2' ' HB3' ' A' ' 21' ' ' GLU . 0.1 OUTLIER -57.01 -13.7 2.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.485 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -79.91 -30.67 42.22 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.372 179.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.523 ' OE1' ' HA ' ' A' ' 76' ' ' ILE . 46.7 mt-10 -86.42 -54.97 4.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.719 0.295 . . . . 0.0 110.628 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -38.13 -39.8 0.44 Allowed 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.73 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.765 HD11 ' HB2' ' A' ' 21' ' ' GLU . 75.1 mt -59.99 -58.05 8.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.816 0.341 . . . . 0.0 110.864 179.69 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.97 -15.85 62.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.107 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.83 77.92 0.87 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.861 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 7.5 t -165.12 134.55 3.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.505 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 59.7 t 65.93 -80.45 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.057 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.969 179.845 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 80.4 t60 . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.754 0.311 . . . . 0.0 111.076 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.6 p -95.64 159.81 14.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.7 p -71.03 -72.12 0.22 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.155 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.61 69.46 0.13 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.577 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -127.75 15.6 6.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.887 0.375 . . . . 0.0 111.08 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.705 HG22 ' H ' ' A' ' 8' ' ' ASP . 2.7 mp -91.87 120.24 40.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.739 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.638 ' HA ' ' HB2' ' A' ' 11' ' ' LYS . 12.3 p-10 -90.18 32.27 0.94 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.761 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.705 ' H ' HG22 ' A' ' 6' ' ' ILE . 36.6 t70 -120.29 -12.92 8.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.941 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -150.78 -24.11 0.22 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.523 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -98.27 -56.14 2.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.109 0.48 . . . . 0.0 111.438 -179.612 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.638 ' HB2' ' HA ' ' A' ' 7' ' ' ASP . 32.2 mmmt -89.39 -9.38 50.53 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.258 -179.626 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.9 p-80 -66.54 -15.44 63.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.09 0.471 . . . . 0.0 110.115 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 3.6 ppp? -52.12 -19.13 1.76 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.918 -179.56 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.47 -33.61 74.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.829 0.347 . . . . 0.0 111.177 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -129.9 37.43 3.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.227 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.411 ' HG2' HH11 ' A' ' 16' ' ' ARG . 21.3 ptt-85 -84.95 12.77 6.91 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.86 0.362 . . . . 0.0 110.586 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.533 ' N ' HD22 ' A' ' 17' ' ' LEU . 2.8 mm? -71.48 107.68 4.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.702 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 72.4 p -147.66 97.92 2.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.956 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -73.41 -14.04 61.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -72.28 -18.5 61.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.09 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -121.46 -51.3 2.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.276 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.543 ' HA ' ' HB3' ' A' ' 25' ' ' LEU . 66.4 mt -55.49 -15.34 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.745 -179.605 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -51.63 -66.0 2.82 Favored Glycine 0 C--N 1.332 0.331 0 C-N-CA 120.531 -0.842 . . . . 0.0 112.599 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -95.9 -13.43 49.96 Favored Glycine 0 N--CA 1.453 -0.183 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.22 179.438 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.709 ' O ' HD23 ' A' ' 25' ' ' LEU . 10.5 tt -55.61 -10.82 0.75 Allowed 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 122.525 0.33 . . . . 0.0 111.731 -179.431 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.566 ' NZ ' ' HB3' ' A' ' 26' ' ' LYS . 8.5 mtpm? -89.03 -68.12 0.79 Allowed 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -179.157 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -89.64 -68.26 0.79 Allowed 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 114.409 1.263 . . . . 0.0 114.409 -177.339 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.476 ' O ' HG13 ' A' ' 32' ' ' ILE . 95.3 mt -69.4 -68.21 0.42 Allowed 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 114.48 1.289 . . . . 0.0 114.48 -176.239 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.653 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 13.7 t80 -36.89 -46.18 0.61 Allowed 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 -176.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.515 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 59.1 mtpt -62.66 -50.81 69.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.973 0.416 . . . . 0.0 111.02 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 54.3 ttp -64.69 -14.45 58.49 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.181 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.476 HG13 ' O ' ' A' ' 28' ' ' LEU . 67.3 mt -92.9 -59.01 3.25 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.314 0 CA-C-O 121.232 0.539 . . . . 0.0 110.459 -179.602 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.612 ' HA ' HG13 ' A' ' 40' ' ' ILE . 8.2 t0 -62.05 98.56 0.11 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.96 179.645 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 82.3 m -58.68 -10.24 2.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.437 0.637 . . . . 0.0 109.305 179.273 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.662 ' OD1' ' HB3' ' A' ' 37' ' ' SER . 10.5 t0 -108.78 -19.43 13.42 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.064 -0.971 . . . . 0.0 111.408 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 74.6 m-80 52.17 15.17 0.41 Allowed 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 120.806 -0.358 . . . . 0.0 111.095 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.662 ' HB3' ' OD1' ' A' ' 35' ' ' ASP . 98.2 p -74.42 -17.92 60.73 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-O 121.493 0.663 . . . . 0.0 109.412 179.651 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.515 ' HA2' ' HE2' ' A' ' 29' ' ' PHE . . . 111.63 4.69 26.44 Favored Glycine 0 N--CA 1.452 -0.282 0 CA-C-N 114.904 -1.043 . . . . 0.0 113.009 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 61.1 p -147.65 131.6 17.17 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.381 -0.229 . . . . 0.0 110.381 179.382 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.612 HG13 ' HA ' ' A' ' 33' ' ' ASP . 2.5 mp -104.38 133.35 48.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.828 0.347 . . . . 0.0 111.631 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.546 HG22 ' OG1' ' A' ' 75' ' ' THR . 52.8 p -127.96 140.59 51.9 Favored 'General case' 0 C--O 1.218 -0.564 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 178.564 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -34.52 -49.13 0.39 Allowed 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 123.099 0.56 . . . . 0.0 112.177 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -56.39 -43.46 79.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.012 0.434 . . . . 0.0 110.518 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.454 ' HG3' ' OG1' ' A' ' 41' ' ' THR . 25.7 mt-10 -85.26 -20.08 30.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.05 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.584 HD13 HG21 ' A' ' 40' ' ' ILE . 55.3 tp -67.41 -65.23 0.71 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.665 -178.859 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.686 ' HB3' HG21 ' A' ' 61' ' ' ILE . 14.7 ptmm? -56.55 -33.32 66.01 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.349 -179.327 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.68 ' HA ' ' HG2' ' A' ' 50' ' ' LYS . 50.2 t0 -58.45 -15.5 11.15 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.041 0.448 . . . . 0.0 110.903 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.527 ' O ' HG23 ' A' ' 52' ' ' VAL . . . -91.29 -39.38 5.69 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.973 -0.632 . . . . 0.0 112.101 -179.621 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.524 HD13 HD13 ' A' ' 56' ' ' LEU . 91.5 mt -90.46 -13.45 34.78 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.879 0.371 . . . . 0.0 110.529 179.64 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.68 ' HG2' ' HA ' ' A' ' 47' ' ' ASP . 19.9 ptmt -86.51 -43.33 12.83 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.072 179.686 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.515 ' NE ' ' HA ' ' A' ' 51' ' ' ARG . 6.2 tpm_? -61.09 -15.69 35.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.191 179.407 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 48' ' ' GLY . 94.0 t -77.53 -31.67 17.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.036 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 52.45 48.2 55.29 Favored Glycine 0 C--N 1.33 0.237 0 C-N-CA 120.99 -0.624 . . . . 0.0 112.912 179.48 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 42.7 p -93.24 -96.85 0.14 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.718 0.259 . . . . 0.0 110.944 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -144.93 22.31 1.58 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.997 0.427 . . . . 0.0 110.662 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.524 HD13 HD13 ' A' ' 49' ' ' LEU . 93.1 mt -91.64 147.93 22.64 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 121.366 0.603 . . . . 0.0 112.027 -179.55 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.411 ' C ' ' H ' ' A' ' 59' ' ' SER . 50.6 ttm -111.89 137.07 50.37 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.001 -1.0 . . . . 0.0 109.477 179.023 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -53.29 -10.5 0.22 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.734 -179.568 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.411 ' H ' ' C ' ' A' ' 57' ' ' MET . 80.9 p -76.47 -31.41 57.76 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.345 -179.344 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.422 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 50.3 mt-10 -74.83 -23.69 58.49 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.693 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.686 HG21 ' HB3' ' A' ' 46' ' ' LYS . 37.9 mm -64.16 -20.27 26.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.968 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.612 ' NZ ' ' HB3' ' A' ' 62' ' ' LYS . 0.1 OUTLIER -73.2 -65.12 0.85 Allowed 'General case' 0 CA--C 1.513 -0.474 0 CA-C-N 116.152 -0.477 . . . . 0.0 109.765 179.479 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -57.31 -17.19 11.01 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 178.076 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.422 ' HB2' ' O ' ' A' ' 60' ' ' GLU . 36.4 tp -81.0 -42.82 20.56 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.019 -0.991 . . . . 0.0 110.794 179.633 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.483 ' HB2' ' CD2' ' A' ' 45' ' ' LEU . 11.7 tmm? -88.28 -60.65 1.91 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.157 -179.552 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -44.42 -27.83 0.49 Allowed 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.102 -0.499 . . . . 0.0 112.086 -179.245 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -89.17 -44.47 10.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.681 0.277 . . . . 0.0 111.554 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.87 -28.17 69.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.409 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.66 ' HB2' ' HB ' ' A' ' 76' ' ' ILE . 8.1 t70 -126.39 96.75 4.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.21 0.528 . . . . 0.0 110.864 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.509 ' O ' ' HG3' ' A' ' 72' ' ' LYS . 64.4 mt -84.09 -10.32 11.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.606 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.572 ' HB2' HG23 ' A' ' 85' ' ' THR . 39.0 t70 -58.81 -9.11 1.59 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.005 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.509 ' HG3' ' O ' ' A' ' 70' ' ' ILE . 41.4 mttp 66.66 0.67 1.92 Allowed 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.944 179.723 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 79.8 p -80.03 -8.19 59.24 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.222 -179.617 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 78.24 -8.46 39.14 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.644 -0.789 . . . . 0.0 111.877 -179.567 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.546 ' OG1' HG22 ' A' ' 41' ' ' THR . 69.3 m -116.52 127.53 54.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.643 0.259 . . . . 0.0 110.407 179.741 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.66 ' HB ' ' HB2' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -97.72 135.62 31.53 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 CA-C-O 121.305 0.574 . . . . 0.0 111.639 -179.889 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.567 ' HB3' ' HG3' ' A' ' 80' ' ' GLU . 9.7 t70 -109.77 159.73 16.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 114.848 -1.069 . . . . 0.0 109.825 179.215 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.606 ' O ' HG22 ' A' ' 82' ' ' ILE . 34.2 m-85 -45.89 -50.62 14.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.802 0.334 . . . . 0.0 111.806 -179.357 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -72.62 -14.57 77.73 Favored Glycine 0 C--N 1.331 0.258 0 CA-C-N 115.944 -0.571 . . . . 0.0 114.098 -178.341 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.567 ' HG3' ' HB3' ' A' ' 77' ' ' ASP . 93.1 mt-10 -81.81 -53.12 6.44 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.034 0.445 . . . . 0.0 110.726 -179.678 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.528 ' HB2' HD11 ' A' ' 76' ' ' ILE . 32.5 t80 -59.41 -30.31 68.37 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.8 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.606 HG22 ' O ' ' A' ' 78' ' ' TYR . 12.5 tt -89.44 -58.24 3.64 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -178.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.56 ' N ' HG23 ' A' ' 82' ' ' ILE . . . -86.22 -67.11 0.83 Allowed 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 111.809 0.3 . . . . 0.0 111.809 -179.17 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -175.45 -72.6 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.301 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.682 HG22 HG13 ' A' ' 86' ' ' VAL . 93.0 m -140.13 -83.21 0.24 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.982 -179.669 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.682 HG13 HG22 ' A' ' 85' ' ' THR . 34.1 m -131.89 -179.65 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.256 -179.763 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.213 -0.899 . . . . 0.0 111.048 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 7.4 p80 . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.84 0.353 . . . . 0.0 111.237 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.8 p -82.19 10.58 6.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.81 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.2 p -77.03 126.93 31.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.025 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.95 -12.22 52.74 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.511 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 18.4 m80 -111.39 -37.67 5.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.709 0.29 . . . . 0.0 110.913 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 46.0 mt -105.02 66.48 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.078 0.465 . . . . 0.0 110.768 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -148.03 -155.96 0.68 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.759 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -83.19 51.98 2.09 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.013 0.435 . . . . 0.0 110.675 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.503 ' HB2' ' HD2' ' A' ' 11' ' ' LYS . 2.0 p30 -102.61 175.61 5.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.068 -179.75 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -98.96 -13.98 19.71 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 113.369 0.877 . . . . 0.0 113.369 -178.426 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.73 ' H ' ' HD2' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -79.81 -33.68 40.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.04 0.448 . . . . 0.0 111.116 -179.204 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.551 ' HA ' ' HB3' ' A' ' 15' ' ' GLU . 19.0 t-160 -73.41 -34.56 65.55 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.009 179.728 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 15.7 tpt -62.15 -29.49 70.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.696 179.574 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -96.46 -13.24 23.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.403 179.571 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.551 ' HB3' ' HA ' ' A' ' 12' ' ' HIS . 14.9 tt0 -84.79 -24.04 28.89 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.714 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -82.35 -59.06 2.67 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.924 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 82.8 mt -107.34 146.19 31.89 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.727 0.299 . . . . 0.0 110.746 179.165 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 48.0 t -103.09 86.96 2.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.061 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.431 ' CD ' ' H ' ' A' ' 19' ' ' GLU . 11.8 pm0 -85.37 -7.58 58.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.736 179.773 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -48.27 -28.82 3.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.044 -179.429 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -134.58 -77.01 0.46 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.74 0.305 . . . . 0.0 111.643 -179.459 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 37.6 pt -56.51 -12.87 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.86 -179.445 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -50.28 -65.19 3.08 Favored Glycine 0 C--N 1.331 0.264 0 C-N-CA 120.936 -0.65 . . . . 0.0 112.971 -179.633 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -93.83 -5.58 62.7 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.637 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.637 HD13 ' O ' ' A' ' 25' ' ' LEU . 3.3 tm? -44.31 -26.14 0.3 Allowed 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 122.44 0.296 . . . . 0.0 111.437 -179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.442 ' O ' ' HG2' ' A' ' 30' ' ' LYS . 28.0 tptp -85.45 -67.98 0.76 Allowed 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 -179.041 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.486 ' O ' ' HB2' ' A' ' 31' ' ' MET . 48.6 mt-10 -89.92 -68.39 0.78 Allowed 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 114.141 1.163 . . . . 0.0 114.141 -177.608 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.405 ' O ' HG12 ' A' ' 32' ' ' ILE . 1.5 tm? -60.15 -68.33 0.3 Allowed 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 113.029 0.751 . . . . 0.0 113.029 -176.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.619 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 12.6 t80 -45.25 -45.43 11.92 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -177.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.486 ' HG3' ' N ' ' A' ' 31' ' ' MET . 0.1 OUTLIER -66.75 -43.22 84.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.941 0.4 . . . . 0.0 110.681 -179.397 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.486 ' HB2' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -63.3 -16.2 59.6 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.798 -179.635 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.405 HG12 ' O ' ' A' ' 28' ' ' LEU . 48.1 mm -92.75 -45.85 14.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.568 179.774 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.609 ' HB2' HD11 ' A' ' 40' ' ' ILE . 57.5 t0 -66.09 117.09 7.92 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.554 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 63.5 m -65.7 -10.45 36.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.401 0.619 . . . . 0.0 109.352 179.181 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 37' ' ' SER . 59.0 m-20 -111.92 -10.14 13.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.394 179.752 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 11.4 p-10 40.91 26.98 0.03 OUTLIER 'General case' 0 C--O 1.231 0.129 0 CA-C-O 121.069 0.461 . . . . 0.0 110.39 -179.297 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.418 ' N ' ' O ' ' A' ' 35' ' ' ASP . 77.2 p -86.27 -16.68 36.83 Favored 'General case' 0 CA--C 1.513 -0.466 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 179.467 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 109.21 13.36 17.75 Favored Glycine 0 N--CA 1.45 -0.39 0 CA-C-N 114.587 -1.188 . . . . 0.0 112.463 179.589 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.717 ' HB ' HG21 ' A' ' 75' ' ' THR . 43.6 p -147.62 131.47 17.07 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.675 0.274 . . . . 0.0 110.336 179.632 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.609 HD11 ' HB2' ' A' ' 33' ' ' ASP . 2.0 mp -108.02 146.75 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.874 0.368 . . . . 0.0 111.13 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.486 ' O ' ' N ' ' A' ' 45' ' ' LEU . 11.7 m -132.99 159.9 38.66 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.767 178.788 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -34.99 -60.64 0.45 Allowed 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 123.465 0.706 . . . . 0.0 112.505 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -52.29 -39.52 60.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.938 0.399 . . . . 0.0 111.08 -179.351 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -88.21 -14.19 39.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.096 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.486 ' N ' ' O ' ' A' ' 41' ' ' THR . 48.6 tp -71.61 -58.98 3.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.299 -179.225 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.456 ' HB3' HG21 ' A' ' 61' ' ' ILE . 21.7 ptmt -56.53 -28.05 59.06 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.307 -179.371 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.703 ' HA ' ' HB3' ' A' ' 50' ' ' LYS . 36.0 t70 -52.3 -16.91 0.95 Allowed 'General case' 0 C--N 1.332 -0.185 0 O-C-N 123.212 0.32 . . . . 0.0 111.175 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -69.75 -52.55 19.63 Favored Glycine 0 N--CA 1.45 -0.412 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.114 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 90.1 mt -90.25 -12.34 38.22 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 178.639 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.703 ' HB3' ' HA ' ' A' ' 47' ' ' ASP . 23.4 tptm -82.9 -25.48 32.42 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.487 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.418 ' HG3' HH11 ' A' ' 51' ' ' ARG . 39.0 ttt85 -73.1 -23.71 60.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.839 179.356 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 12.3 p -98.85 -29.22 3.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.945 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 53.84 48.81 60.79 Favored Glycine 0 C--N 1.332 0.358 0 C-N-CA 121.009 -0.615 . . . . 0.0 113.154 179.153 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 71.2 m -97.58 -104.98 0.18 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.757 0.278 . . . . 0.0 111.032 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -120.71 74.74 1.08 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.927 0.394 . . . . 0.0 110.735 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.841 ' H ' HD23 ' A' ' 56' ' ' LEU . 0.9 OUTLIER -108.73 166.26 10.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.294 179.804 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.421 ' O ' HG12 ' A' ' 61' ' ' ILE . 84.8 mmm -126.28 110.35 13.3 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.043 179.053 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -55.09 -15.25 2.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.557 0.694 . . . . 0.0 109.451 179.14 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.412 ' N ' ' C ' ' A' ' 57' ' ' MET . 78.5 p -87.86 -39.22 15.0 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 114.66 -1.155 . . . . 0.0 110.992 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 43.4 tp10 -66.19 -32.66 74.23 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.183 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.456 HG21 ' HB3' ' A' ' 46' ' ' LYS . 43.3 mm -55.52 -23.74 14.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.689 179.673 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.437 ' C ' ' N ' ' A' ' 64' ' ' LEU . 12.5 mmmm -73.24 -63.17 1.24 Allowed 'General case' 0 CA--C 1.513 -0.478 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 178.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.764 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 37.4 t70 -55.93 -16.9 5.35 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 177.369 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.437 ' N ' ' C ' ' A' ' 62' ' ' LYS . 33.5 tp -87.46 -32.94 19.22 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 114.668 -1.151 . . . . 0.0 110.643 179.549 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 9.0 tmm? -88.7 -69.58 0.7 Allowed 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 -178.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -70.67 -54.8 10.5 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -178.198 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.764 ' HB3' ' O ' ' A' ' 63' ' ' ASP . . . -50.7 -45.6 58.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.604 0.24 . . . . 0.0 111.583 -179.28 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.18 -62.22 1.67 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.871 0.367 . . . . 0.0 110.719 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.519 ' HA ' ' HB3' ' A' ' 80' ' ' GLU . 7.5 t70 -66.96 104.84 1.47 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.616 179.423 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 9.8 tp -83.52 -16.75 11.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.891 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -63.19 -5.83 3.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.352 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 41.26 26.71 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.423 -179.693 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 79.1 p -87.73 2.09 52.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.876 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 77.17 -11.61 15.66 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.687 -0.768 . . . . 0.0 111.799 -179.583 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.717 HG21 ' HB ' ' A' ' 39' ' ' THR . 69.8 m -117.66 134.33 55.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.685 0.279 . . . . 0.0 110.375 179.692 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.456 HG23 ' HB ' ' A' ' 40' ' ' ILE . 15.0 tt -99.03 131.05 47.0 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 CA-C-O 121.11 0.481 . . . . 0.0 111.211 -179.769 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.442 ' H ' ' CG ' ' A' ' 80' ' ' GLU . 10.3 t70 -117.98 157.93 25.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.028 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -52.57 -26.31 12.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.782 0.325 . . . . 0.0 111.012 -179.438 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -77.77 -30.97 51.03 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.936 -0.65 . . . . 0.0 112.753 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.519 ' HB3' ' HA ' ' A' ' 69' ' ' ASP . 67.1 mm-40 -56.83 -47.77 79.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.65 0.262 . . . . 0.0 110.671 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -43.4 -41.41 4.18 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.723 179.447 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 47.6 mm -77.77 -38.59 25.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.197 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.17 -24.42 58.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.242 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -104.0 101.09 10.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.083 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 68.6 p -116.85 159.97 21.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.825 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 35.8 m -87.11 150.66 3.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.199 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.31 -0.852 . . . . 0.0 111.043 179.888 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.719 0.295 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.9 t -72.23 141.89 48.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.815 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.5 t -125.24 48.33 2.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.72 -43.68 0.35 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.515 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 15.2 m80 -112.76 67.98 0.67 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.811 0.338 . . . . 0.0 110.912 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.517 HG23 ' HB3' ' A' ' 10' ' ' ASP . 3.1 tt -97.4 106.77 19.01 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.511 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.032 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -78.25 69.39 4.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.486 -179.53 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -132.23 -80.38 0.5 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.867 179.595 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.479 ' O ' ' HB3' ' A' ' 13' ' ' MET . 1.9 m-20 -140.65 6.23 2.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.856 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.517 ' HB3' HG23 ' A' ' 6' ' ' ILE . 34.1 t0 -94.17 -63.33 1.2 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.1 0.476 . . . . 0.0 111.775 -179.002 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.52 ' HD3' ' N ' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -86.23 -33.64 20.68 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.805 -178.619 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.52 ' N ' ' HD3' ' A' ' 11' ' ' LYS . 3.4 m-70 -75.83 -29.17 58.54 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.531 -179.336 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.479 ' HB3' ' O ' ' A' ' 9' ' ' ASP . 51.7 ttm -87.51 -34.92 18.46 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.583 -179.514 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.17 -3.07 59.04 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 -179.06 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.88 ' HG3' ' HG2' ' A' ' 16' ' ' ARG . 23.8 pt-20 -85.68 -40.56 16.03 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.856 0.36 . . . . 0.0 111.075 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.88 ' HG2' ' HG3' ' A' ' 15' ' ' GLU . 15.0 ptm180 -144.82 -115.8 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.518 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.767 HD23 ' N ' ' A' ' 18' ' ' SER . 7.6 tt -60.99 146.37 47.27 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.98 0.419 . . . . 0.0 111.266 -179.288 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.767 ' N ' HD23 ' A' ' 17' ' ' LEU . 75.3 p -135.94 107.41 6.9 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.264 179.56 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.402 ' HG3' ' CD2' ' A' ' 17' ' ' LEU . 57.4 mt-10 -84.89 -9.23 58.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 112.147 -178.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.605 ' HG3' ' HB3' ' A' ' 78' ' ' TYR . 41.7 tt0 -77.99 -62.81 1.55 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.722 0.296 . . . . 0.0 111.056 -179.597 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.522 ' HA ' ' HB2' ' A' ' 25' ' ' LEU . 8.9 mp0 -59.52 -27.93 66.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.665 -179.675 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 55.6 mt -95.56 -15.82 7.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.819 -179.181 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -94.83 -65.57 1.0 Allowed Glycine 0 CA--C 1.519 0.285 0 C-N-CA 120.147 -1.025 . . . . 0.0 114.124 -178.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -95.49 -41.12 4.0 Favored Glycine 0 CA--C 1.518 0.228 0 C-N-CA 120.618 -0.801 . . . . 0.0 113.995 -178.558 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.522 ' HB2' ' HA ' ' A' ' 21' ' ' GLU . 4.5 mm? -47.28 -13.98 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -178.643 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -90.2 -69.65 0.71 Allowed 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.803 -0.359 . . . . 0.0 111.927 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.716 ' HG3' ' H ' ' A' ' 28' ' ' LEU . 7.4 pt-20 -91.64 -67.52 0.85 Allowed 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 113.356 0.873 . . . . 0.0 113.356 -179.144 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.716 ' H ' ' HG3' ' A' ' 27' ' ' GLU . 58.1 tp -46.09 -45.78 16.54 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 113.361 0.874 . . . . 0.0 113.361 -177.57 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.531 ' CZ ' ' HB2' ' A' ' 78' ' ' TYR . 2.4 m-85 -76.52 -65.6 0.91 Allowed 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -178.264 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.557 ' HA ' ' OD1' ' A' ' 36' ' ' ASN . 14.1 mmmm -43.47 -33.13 1.02 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.463 -179.193 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -90.56 -35.06 15.26 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -179.385 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.565 ' HB ' ' O ' ' A' ' 28' ' ' LEU . 24.0 mm -94.92 -65.6 1.11 Allowed 'Isoleucine or valine' 0 CA--C 1.511 -0.542 0 CA-C-O 121.263 0.554 . . . . 0.0 110.788 -179.781 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.628 ' HB2' HD11 ' A' ' 40' ' ' ILE . 31.2 t70 -53.2 94.76 0.01 OUTLIER 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.048 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 65.3 m -58.76 -10.37 2.32 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.557 0.694 . . . . 0.0 109.246 179.622 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.519 ' OD1' ' HB3' ' A' ' 37' ' ' SER . 10.4 t0 -95.86 -24.9 16.23 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.882 179.733 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.557 ' OD1' ' HA ' ' A' ' 30' ' ' LYS . 51.5 m-20 49.85 20.95 0.61 Allowed 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.602 -179.645 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.519 ' HB3' ' OD1' ' A' ' 35' ' ' ASP . 79.1 p -88.53 -19.53 26.26 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 121.154 0.502 . . . . 0.0 110.314 -179.822 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.458 ' HA2' ' HD2' ' A' ' 29' ' ' PHE . . . 111.53 5.16 26.33 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.46 -0.876 . . . . 0.0 113.058 179.66 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 76.0 p -142.82 130.64 21.57 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 179.228 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.628 HD11 ' HB2' ' A' ' 33' ' ' ASP . 2.0 mp -104.97 139.79 24.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.946 0.403 . . . . 0.0 111.649 -179.516 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.549 ' O ' ' HG2' ' A' ' 44' ' ' GLU . 67.2 p -129.08 144.02 51.06 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.958 178.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.702 ' HB2' ' HG3' ' A' ' 65' ' ' MET . 17.4 t80 -34.74 -47.88 0.36 Allowed 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -179.516 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -50.61 -48.72 57.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.9 0.381 . . . . 0.0 110.877 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.549 ' HG2' ' O ' ' A' ' 41' ' ' THR . 9.7 pt-20 -89.43 -16.08 31.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.566 -179.739 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.443 HD13 HG21 ' A' ' 40' ' ' ILE . 44.2 tp -62.56 -45.27 93.71 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.764 0.316 . . . . 0.0 110.925 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.768 ' HG2' HG21 ' A' ' 61' ' ' ILE . 52.7 mtmt -47.27 -53.77 12.59 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.967 -179.672 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.649 ' HA ' ' HB3' ' A' ' 50' ' ' LYS . 28.9 m-20 -42.17 -23.57 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.331 0 O-C-N 123.352 0.408 . . . . 0.0 112.067 -179.306 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.2 -55.99 18.29 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.615 -0.802 . . . . 0.0 111.615 179.383 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.51 HD22 ' N ' ' A' ' 49' ' ' LEU . 3.1 mm? -90.42 -12.4 37.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.116 0.484 . . . . 0.0 110.13 179.181 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.649 ' HB3' ' HA ' ' A' ' 47' ' ' ASP . 4.3 tmmm? -68.6 -46.3 69.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.65 -179.773 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.62 ' HG2' ' O ' ' A' ' 47' ' ' ASP . 36.3 mmt180 -41.54 -42.05 2.3 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.969 -179.602 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 35.9 m -89.86 -31.62 5.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 111.618 0.229 . . . . 0.0 111.618 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 38.76 48.41 2.44 Favored Glycine 0 C--N 1.335 0.514 0 C-N-CA 121.201 -0.523 . . . . 0.0 113.015 179.667 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 48.0 t -65.9 -91.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.747 0.308 . . . . 0.0 111.153 -179.571 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.461 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 39.0 tp10 -136.96 17.84 3.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.158 0.504 . . . . 0.0 110.208 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.509 HD12 ' N ' ' A' ' 56' ' ' LEU . 5.7 mp -81.53 124.84 29.83 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.521 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 16.0 tpt -79.88 151.34 30.23 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.263 -0.88 . . . . 0.0 109.597 179.098 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.436 ' N ' ' OE1' ' A' ' 58' ' ' GLU . 0.4 OUTLIER -56.8 -10.43 1.05 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.587 -179.641 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 49.1 m -78.16 -22.77 48.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.858 0.361 . . . . 0.0 111.075 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.464 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 16.8 tp10 -78.06 -16.71 57.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.916 179.729 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.768 HG21 ' HG2' ' A' ' 46' ' ' LYS . 26.3 mm -90.59 -46.12 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.761 -179.428 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.63 ' HD3' ' N ' ' A' ' 63' ' ' ASP . 0.0 OUTLIER -77.23 -44.71 29.0 Favored 'General case' 0 C--N 1.333 -0.116 0 N-CA-C 111.711 0.263 . . . . 0.0 111.711 -178.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.63 ' N ' ' HD3' ' A' ' 62' ' ' LYS . 33.9 t70 -62.84 -28.66 70.17 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-O 121.045 0.45 . . . . 0.0 110.283 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.464 ' HB2' ' O ' ' A' ' 60' ' ' GLU . 4.5 mm? -87.19 -25.62 23.96 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.779 179.568 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.702 ' HG3' ' HB2' ' A' ' 42' ' ' PHE . 14.7 tmm? -67.66 -46.4 72.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.533 179.498 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -79.37 -21.24 46.03 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.184 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -82.01 -27.41 33.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.324 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.486 ' HB1' HD12 ' A' ' 76' ' ' ILE . . . -77.05 -56.25 4.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.171 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.43 ' HB2' ' HB ' ' A' ' 76' ' ' ILE . 25.1 t70 -86.31 111.54 20.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.049 0.452 . . . . 0.0 110.795 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.511 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 9.4 tp -83.64 -19.25 9.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.275 -179.554 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -62.53 -5.55 2.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.193 -179.533 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.511 ' HG2' ' O ' ' A' ' 70' ' ' ILE . 33.8 mmtp 46.87 31.23 1.41 Allowed 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.568 179.302 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 77.8 p -100.74 3.12 41.97 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.176 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 78.99 -15.98 9.47 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.306 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.454 HG22 HG22 ' A' ' 41' ' ' THR . 80.7 p -113.62 128.18 56.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.651 0.262 . . . . 0.0 110.54 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.544 HD11 ' HB2' ' A' ' 81' ' ' PHE . 9.7 tt -99.98 140.04 20.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.316 0 CA-C-O 120.884 0.374 . . . . 0.0 111.346 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -115.0 152.91 31.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.681 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.605 ' HB3' ' HG3' ' A' ' 20' ' ' GLU . 31.6 t80 -54.05 -35.97 62.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.39 -179.683 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -70.31 -25.04 76.23 Favored Glycine 0 CA--C 1.519 0.296 0 C-N-CA 120.954 -0.641 . . . . 0.0 113.54 -179.108 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -88.45 -46.47 9.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 117.005 0.403 . . . . 0.0 111.147 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.544 ' HB2' HD11 ' A' ' 76' ' ' ILE . 28.5 t80 -46.69 -38.88 10.48 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.442 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 72.2 mt -65.44 -41.87 92.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.238 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.05 -26.87 50.99 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.217 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -82.7 -52.88 6.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.148 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 79.4 p -105.4 110.92 23.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.854 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 7.9 p -143.03 -32.06 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.195 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 16.1 m80 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.152 -0.927 . . . . 0.0 110.928 -179.916 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.578 ' HA ' ' HB3' ' A' ' 29' ' ' PHE . 58.3 tp . . . . . 0 N--CA 1.463 0.193 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.46 ' O ' ' HD3' ' A' ' 30' ' ' LYS . 54.8 mtmt -90.75 -65.94 0.97 Allowed 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -178.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -88.8 -68.38 0.77 Allowed 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 -177.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.43 ' O ' HG13 ' A' ' 32' ' ' ILE . 93.5 mt -66.02 -68.13 0.39 Allowed 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 113.809 1.041 . . . . 0.0 113.809 -176.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.578 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 3.4 t80 -37.93 -50.16 1.28 Allowed 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -177.624 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.517 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 29.1 mtpp -62.76 -45.68 91.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.927 0.394 . . . . 0.0 110.928 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 52.6 ttm -64.48 -15.21 60.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.361 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.43 HG13 ' O ' ' A' ' 28' ' ' LEU . 66.1 mt -92.74 -47.79 13.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.06 0.457 . . . . 0.0 110.725 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.636 ' HA ' HG12 ' A' ' 40' ' ' ILE . 57.6 t0 -64.78 112.17 3.12 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.584 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 64.6 m -61.82 -10.53 9.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.41 0.624 . . . . 0.0 109.382 179.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.501 ' OD1' ' HB3' ' A' ' 37' ' ' SER . 10.1 t0 -96.65 -24.95 15.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.705 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 55.89 18.8 3.2 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-O 120.863 0.363 . . . . 0.0 110.238 -179.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.501 ' HB3' ' OD1' ' A' ' 35' ' ' ASP . 79.9 p -88.73 -20.35 24.91 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-O 121.153 0.501 . . . . 0.0 110.106 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 111.39 12.98 13.88 Favored Glycine 0 N--CA 1.451 -0.317 0 CA-C-N 115.437 -0.802 . . . . 0.0 112.593 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.579 ' HB ' HG21 ' A' ' 75' ' ' THR . 63.9 p -150.91 130.72 13.23 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 179.415 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.636 HG12 ' HA ' ' A' ' 33' ' ' ASP . 89.8 mt -105.62 139.99 25.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.775 0.322 . . . . 0.0 111.11 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.416 ' O ' ' N ' ' A' ' 44' ' ' GLU . 82.3 p -129.28 143.11 50.72 Favored 'General case' 0 C--O 1.221 -0.406 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.069 179.211 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.737 ' HB2' ' HG2' ' A' ' 65' ' ' MET . 21.8 t80 -35.55 -53.51 0.68 Allowed 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 123.05 0.54 . . . . 0.0 112.239 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -47.09 -40.22 14.79 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.149 0.499 . . . . 0.0 110.414 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.497 ' OE2' ' HB2' ' A' ' 35' ' ' ASP . 41.0 mt-10 -87.13 -30.88 20.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.766 179.54 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.554 HD22 ' SD ' ' A' ' 65' ' ' MET . 56.1 tp -51.94 -57.12 10.37 Favored 'General case' 0 N--CA 1.457 -0.105 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.123 -179.428 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.499 ' CA ' HG21 ' A' ' 61' ' ' ILE . 8.4 ptpp? -51.55 -42.77 62.06 Favored 'General case' 0 C--O 1.225 -0.219 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.421 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -49.62 -16.75 0.25 Allowed 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.423 ' O ' HG23 ' A' ' 52' ' ' VAL . . . -74.16 -57.9 4.56 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.086 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.502 HD22 ' N ' ' A' ' 49' ' ' LEU . 3.1 mm? -87.62 -12.84 44.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.897 0.38 . . . . 0.0 110.499 179.55 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.417 ' HD3' ' OE2' ' A' ' 58' ' ' GLU . 22.9 tptm -70.36 -53.79 15.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.525 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 39.1 ttm180 -59.95 -17.73 40.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.564 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 48' ' ' GLY . 62.4 t -70.04 -31.74 48.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.813 179.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 44.45 48.36 8.62 Favored Glycine 0 C--N 1.332 0.348 0 CA-C-N 116.021 -0.536 . . . . 0.0 113.194 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 37.9 t -91.28 -95.63 0.12 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.696 0.284 . . . . 0.0 110.836 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.95 23.67 1.08 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.954 0.406 . . . . 0.0 110.356 179.638 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 71.0 mt -90.9 160.05 15.9 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.772 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 20.0 ptm -117.18 125.93 51.98 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.168 179.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.495 ' HA ' HG12 ' A' ' 61' ' ' ILE . 4.9 mm-40 -54.56 -9.6 0.33 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.62 -179.64 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.473 ' O ' ' HG3' ' A' ' 62' ' ' LYS . 53.5 m -69.8 -26.82 64.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.829 -179.66 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.461 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 51.1 mt-10 -83.86 -21.32 32.04 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.278 179.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.499 HG21 ' CA ' ' A' ' 46' ' ' LYS . 39.8 mm -66.98 -30.43 49.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.008 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.699 ' NZ ' ' HB2' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -85.29 -36.33 20.92 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.696 179.906 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.549 ' N ' ' HD3' ' A' ' 62' ' ' LYS . 58.8 m-20 -73.91 -23.24 59.52 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.181 0.515 . . . . 0.0 109.722 178.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.56 ' O ' HD23 ' A' ' 64' ' ' LEU . 4.9 tt -87.12 -39.14 15.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.615 179.475 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.737 ' HG2' ' HB2' ' A' ' 42' ' ' PHE . 14.6 tpt -63.2 -45.11 93.26 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.946 179.523 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -65.79 -42.6 90.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.13 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.78 -30.75 67.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.278 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.73 -62.63 1.32 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.111 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -88.96 98.48 11.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.122 0.486 . . . . 0.0 110.413 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.516 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 14.3 tt -83.94 -14.79 11.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.846 -179.631 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.502 ' OD2' ' HB3' ' A' ' 73' ' ' SER . 36.6 t70 -64.17 -5.81 5.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.6 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.516 ' HG2' ' O ' ' A' ' 70' ' ' ILE . 31.0 mmmt 44.25 29.05 0.33 Allowed 'General case' 0 C--O 1.232 0.151 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.558 179.433 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.502 ' HB3' ' OD2' ' A' ' 71' ' ' ASP . 84.5 p -85.11 -3.67 58.88 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.717 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 85.02 -11.69 59.66 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.718 -0.753 . . . . 0.0 111.675 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.579 HG21 ' HB ' ' A' ' 39' ' ' THR . 86.3 m -129.62 127.82 41.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.788 0.328 . . . . 0.0 110.367 179.712 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.534 HG23 ' HB ' ' A' ' 40' ' ' ILE . 9.1 tt -90.3 140.25 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.734 -179.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.844 ' HB2' ' HG2' ' A' ' 80' ' ' GLU . 54.1 m-20 -121.87 163.27 19.51 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.002 179.111 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 19.0 t80 -61.26 -30.03 70.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.846 0.355 . . . . 0.0 110.784 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -84.25 -14.09 72.41 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 121.029 -0.605 . . . . 0.0 112.772 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.844 ' HG2' ' HB2' ' A' ' 77' ' ' ASP . 3.9 mm-40 -86.18 -31.07 21.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.91 0.386 . . . . 0.0 110.867 -179.411 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -79.56 -37.52 36.24 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.2 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.485 ' C ' HD12 ' A' ' 82' ' ' ILE . 2.7 pp . . . . . 0 C--N 1.331 -0.229 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.516 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.625 ' HG ' ' H ' ' A' ' 29' ' ' PHE . 26.8 tp . . . . . 0 N--CA 1.464 0.249 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.453 ' HB3' ' NZ ' ' A' ' 26' ' ' LYS . 0.2 OUTLIER -38.93 -29.83 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 -178.756 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -60.46 -55.83 28.78 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.728 0.299 . . . . 0.0 111.078 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.501 ' N ' HD12 ' A' ' 28' ' ' LEU . 6.3 mp -89.58 -57.75 2.77 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -179.438 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.625 ' H ' ' HG ' ' A' ' 25' ' ' LEU . 11.5 t80 -39.57 -41.18 0.98 Allowed 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -178.567 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.401 ' CG ' ' N ' ' A' ' 31' ' ' MET . 14.9 pttp -69.9 -43.15 72.32 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.148 0.499 . . . . 0.0 110.886 -179.207 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.401 ' N ' ' CG ' ' A' ' 30' ' ' LYS . 56.1 ttp -68.27 -21.13 64.82 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.644 -179.05 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.825 HG23 HD11 ' A' ' 40' ' ' ILE . 11.3 tp -93.26 -25.95 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.134 0.493 . . . . 0.0 110.256 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -71.81 118.33 14.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.339 179.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.678 ' HB ' ' HB2' ' A' ' 44' ' ' GLU . 91.2 m -57.78 -15.18 7.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.001 0.429 . . . . 0.0 110.34 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.407 ' HB2' ' OE1' ' A' ' 44' ' ' GLU . 55.0 t0 -104.49 -22.63 13.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.049 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 46.1 t30 55.7 15.94 1.78 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.066 0.46 . . . . 0.0 109.942 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 79.3 p -83.5 -18.61 37.89 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.059 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 111.25 10.38 20.26 Favored Glycine 0 N--CA 1.453 -0.227 0 CA-C-N 115.43 -0.805 . . . . 0.0 112.588 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 67.6 p -146.65 131.96 18.52 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.825 HD11 HG23 ' A' ' 32' ' ' ILE . 29.5 mt -104.92 131.67 53.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.846 0.355 . . . . 0.0 111.584 -179.564 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.748 HG22 ' HB ' ' A' ' 75' ' ' THR . 63.0 p -111.74 161.91 15.79 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.035 179.243 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.826 ' HB2' ' HG3' ' A' ' 65' ' ' MET . 15.9 t80 -64.92 -35.56 81.54 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.302 179.452 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -58.74 -45.5 89.52 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.874 179.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.678 ' HB2' ' HB ' ' A' ' 34' ' ' THR . 23.6 pt-20 -89.69 -17.74 27.77 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.673 179.528 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.648 HD23 ' HB2' ' A' ' 65' ' ' MET . 49.2 tp -61.44 -53.55 55.0 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.393 -179.222 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.452 ' HG3' ' N ' ' A' ' 47' ' ' ASP . 13.5 ptmm? -48.22 -52.69 19.88 Favored 'General case' 0 C--O 1.225 -0.21 0 CA-C-N 115.724 -0.671 . . . . 0.0 112.048 -179.303 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.452 ' N ' ' HG3' ' A' ' 46' ' ' LYS . 33.1 t70 -49.82 -16.04 0.23 Allowed 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -179.511 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -74.24 -54.78 6.03 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.001 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.578 ' HB3' HD22 ' A' ' 56' ' ' LEU . 2.9 mm? -89.73 -14.46 34.62 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.964 0.411 . . . . 0.0 110.125 179.395 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.432 ' HD3' ' NZ ' ' A' ' 46' ' ' LYS . 63.9 tttp -86.32 -23.29 26.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.137 -179.767 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.436 ' HB2' ' O ' ' A' ' 47' ' ' ASP . 37.0 ttm180 -44.83 -32.52 1.6 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.387 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 35.1 m -101.23 -31.45 3.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.346 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 51.69 48.39 50.24 Favored Glycine 0 C--N 1.332 0.313 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.586 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 49.1 m -68.97 -92.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.709 0.29 . . . . 0.0 111.354 -179.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.412 ' O ' ' HG2' ' A' ' 55' ' ' GLU . 41.3 tt0 -122.96 2.09 9.33 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.955 0.407 . . . . 0.0 110.961 -179.508 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.654 ' O ' HD12 ' A' ' 56' ' ' LEU . 3.3 pp -86.92 142.2 28.18 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-O 121.617 0.722 . . . . 0.0 111.871 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 51.4 tpp -106.53 152.24 23.94 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 114.763 -1.108 . . . . 0.0 109.795 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -53.83 -12.85 0.6 Allowed 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.199 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 79.0 p -69.45 -32.81 71.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.009 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.428 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 17.3 tp10 -67.77 -33.09 74.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.068 179.646 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 28.2 mm -62.11 -20.72 24.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.747 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 11.7 mmmm -75.2 -62.61 1.5 Allowed 'General case' 0 CA--C 1.514 -0.428 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 179.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.448 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 9.0 t70 -59.65 -17.32 32.95 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 177.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.428 ' HB2' ' O ' ' A' ' 60' ' ' GLU . 38.5 tp -82.8 -41.4 19.17 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.515 179.418 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.826 ' HG3' ' HB2' ' A' ' 42' ' ' PHE . 15.5 tmm? -88.49 -67.41 0.83 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.517 -179.388 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -42.29 -38.68 1.88 Allowed 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.842 -179.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' A' ' 63' ' ' ASP . . . -78.33 -41.04 34.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.468 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.772 ' HB1' HD12 ' A' ' 76' ' ' ILE . . . -56.27 -62.09 1.95 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.909 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.563 ' HB2' ' OD1' ' A' ' 71' ' ' ASP . 8.1 p-10 -97.03 111.49 23.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.589 179.444 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.549 ' O ' ' HG3' ' A' ' 72' ' ' LYS . 8.9 tp -84.05 -21.03 8.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.012 -179.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.563 ' OD1' ' HB2' ' A' ' 69' ' ' ASP . 20.8 p-10 -61.42 -15.5 37.58 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.39 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.549 ' HG3' ' O ' ' A' ' 70' ' ' ILE . 38.5 mtpt 56.19 12.85 1.05 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.619 178.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 78.3 p -61.24 -17.78 55.07 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.812 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 106.23 -21.83 32.42 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.735 -0.745 . . . . 0.0 111.957 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.748 ' HB ' HG22 ' A' ' 41' ' ' THR . 4.9 t -133.13 127.77 34.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.751 0.31 . . . . 0.0 110.26 179.603 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.772 HD12 ' HB1' ' A' ' 68' ' ' ALA . 12.6 tt -78.21 133.72 29.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.967 0.413 . . . . 0.0 111.588 -179.384 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 57.9 t0 -110.07 147.35 33.76 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.618 179.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.491 ' CE1' ' HB2' ' A' ' 25' ' ' LEU . 22.4 t80 -50.67 -32.97 20.76 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.641 0.258 . . . . 0.0 111.356 -179.362 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.444 ' O ' HG22 ' A' ' 82' ' ' ILE . . . -52.8 -47.0 59.64 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.75 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -88.61 -32.17 18.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.847 0.356 . . . . 0.0 111.342 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -56.91 -21.71 31.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.604 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.444 HG22 ' O ' ' A' ' 79' ' ' GLY . 9.3 tp . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.495 -179.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.647 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 8.8 tt . . . . . 0 N--CA 1.461 0.121 0 CA-C-O 120.598 0.237 . . . . 0.0 111.238 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.559 ' HD2' ' N ' ' A' ' 26' ' ' LYS . 0.2 OUTLIER -90.93 -44.77 9.16 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -178.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -88.46 -68.17 0.78 Allowed 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 -177.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 89.5 mt -72.75 -64.22 1.01 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 -177.339 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.534 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 4.0 t80 -40.32 -48.69 2.7 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.662 0.615 . . . . 0.0 112.662 -178.244 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.647 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 30.2 mtpp -65.89 -38.53 89.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.778 0.323 . . . . 0.0 111.049 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 51.5 ttm -73.96 -15.08 61.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.072 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 74.3 mt -92.01 -41.36 12.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.945 0.402 . . . . 0.0 110.7 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.54 ' HA ' HG12 ' A' ' 40' ' ' ILE . 35.5 t70 -65.58 119.83 11.82 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.015 179.53 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 63.7 m -63.66 -12.68 35.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.246 0.546 . . . . 0.0 109.922 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.416 ' C ' ' N ' ' A' ' 37' ' ' SER . 57.2 m-20 -104.71 -17.27 14.7 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.568 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 52.54 16.21 0.6 Allowed 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 -179.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.416 ' N ' ' C ' ' A' ' 35' ' ' ASP . 66.6 p -75.99 -20.96 57.42 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.666 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 109.88 9.79 23.91 Favored Glycine 0 N--CA 1.453 -0.217 0 CA-C-N 115.201 -0.909 . . . . 0.0 112.686 179.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.431 ' HB ' ' OG1' ' A' ' 75' ' ' THR . 49.6 p -153.43 131.88 12.11 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.043 -0.355 . . . . 0.0 110.043 179.699 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.54 HG12 ' HA ' ' A' ' 33' ' ' ASP . 96.6 mt -103.39 130.71 53.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.822 0.344 . . . . 0.0 111.106 -179.617 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.621 HG22 ' HB ' ' A' ' 75' ' ' THR . 80.7 p -111.69 146.64 37.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.045 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.707 ' HB2' ' HG3' ' A' ' 65' ' ' MET . 24.2 t80 -37.42 -42.75 0.52 Allowed 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 123.176 0.59 . . . . 0.0 112.026 179.532 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -48.22 -47.91 35.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.773 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.492 ' HG3' HG23 ' A' ' 40' ' ' ILE . 10.0 pt-20 -89.31 -28.34 19.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.962 179.78 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.672 HD21 HD11 ' A' ' 64' ' ' LEU . 41.3 tp -42.84 -54.87 3.94 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.897 0.38 . . . . 0.0 111.129 -179.101 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.861 ' HB3' HG21 ' A' ' 61' ' ' ILE . 13.9 ptmm? -49.71 -57.77 6.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.708 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.776 ' HA ' ' HB3' ' A' ' 50' ' ' LYS . 34.7 t70 -55.66 -16.55 4.31 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 122.483 0.313 . . . . 0.0 111.778 -179.65 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -68.98 -52.14 25.36 Favored Glycine 0 N--CA 1.447 -0.596 0 N-CA-C 110.683 -0.967 . . . . 0.0 110.683 179.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.608 ' O ' HG22 ' A' ' 52' ' ' VAL . 19.5 tp -90.73 -12.85 35.37 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-O 121.041 0.448 . . . . 0.0 109.838 178.689 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.776 ' HB3' ' HA ' ' A' ' 47' ' ' ASP . 1.1 tmtp? -78.17 -27.51 48.04 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.017 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.441 HH11 ' HG3' ' A' ' 51' ' ' ARG . 32.4 tpt85 -44.67 -30.48 0.94 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.701 179.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.608 HG22 ' O ' ' A' ' 49' ' ' LEU . 32.3 m -76.53 -31.8 20.6 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 CA-C-O 120.687 0.28 . . . . 0.0 111.495 -179.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 61.86 48.78 81.61 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.844 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 48.5 t -88.43 -97.92 0.09 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.698 0.285 . . . . 0.0 110.939 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -141.0 41.83 1.81 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.96 0.41 . . . . 0.0 110.468 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.453 HD21 ' HG ' ' A' ' 49' ' ' LEU . 6.8 mp -69.54 157.7 36.66 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-O 121.365 0.602 . . . . 0.0 111.636 -179.582 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.536 ' HG3' ' H ' ' A' ' 60' ' ' GLU . 19.5 ptp -126.39 124.52 40.37 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.069 -0.969 . . . . 0.0 109.843 178.78 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.692 ' HA ' HD12 ' A' ' 61' ' ' ILE . 8.6 mp0 -53.73 -9.64 0.23 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.219 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.432 ' H ' ' C ' ' A' ' 57' ' ' MET . 58.4 m -84.11 -40.01 18.79 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.81 -179.287 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.536 ' H ' ' HG3' ' A' ' 57' ' ' MET . 5.3 tp10 -78.57 -19.53 52.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.738 0.304 . . . . 0.0 110.351 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.861 HG21 ' HB3' ' A' ' 46' ' ' LYS . 33.4 mt -69.02 -40.36 80.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.511 ' HD3' ' N ' ' A' ' 63' ' ' ASP . 0.0 OUTLIER -81.4 -32.0 32.99 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.991 0.424 . . . . 0.0 110.336 179.614 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.511 ' N ' ' HD3' ' A' ' 62' ' ' LYS . 8.5 t70 -73.93 -29.77 62.2 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.151 179.619 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.672 HD11 HD21 ' A' ' 45' ' ' LEU . 1.5 pp -80.92 -36.19 31.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.689 179.616 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.707 ' HG3' ' HB2' ' A' ' 42' ' ' PHE . 0.9 OUTLIER -61.41 -49.16 77.98 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.598 179.58 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -71.44 -31.86 67.69 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.055 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.07 -21.26 58.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.681 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.586 ' HB1' ' HA ' ' A' ' 81' ' ' PHE . . . -112.41 -59.89 1.94 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.358 -179.731 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.601 ' HB2' ' HB ' ' A' ' 76' ' ' ILE . 6.2 t70 -54.38 98.64 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.157 0.503 . . . . 0.0 111.321 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 14.4 tt -84.79 -25.17 7.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.978 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -69.16 -7.66 38.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.368 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 34.49 33.37 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.524 -0.762 . . . . 0.0 112.146 179.779 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 84.7 p -90.51 -6.64 54.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.974 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 106.84 -20.75 33.31 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.639 -0.791 . . . . 0.0 111.578 -179.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.621 ' HB ' HG22 ' A' ' 41' ' ' THR . 6.4 t -115.37 175.23 5.61 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 179.285 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.601 ' HB ' ' HB2' ' A' ' 69' ' ' ASP . 11.9 tt -156.17 143.5 11.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 120.992 0.425 . . . . 0.0 111.353 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -125.21 170.22 11.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.581 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 3.5 m-30 -51.43 -35.27 38.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.28 179.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.54 -32.99 74.79 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.59 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.496 ' HB2' HG13 ' A' ' 76' ' ' ILE . 46.7 mt-10 -88.32 -59.23 2.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.73 0.3 . . . . 0.0 110.857 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.586 ' HA ' ' HB1' ' A' ' 68' ' ' ALA . 30.0 t80 -43.4 -43.61 5.29 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.73 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 50.4 mm . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.392 -179.571 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.771 HD12 ' N ' ' A' ' 26' ' ' LYS . 3.5 pp . . . . . 0 N--CA 1.466 0.355 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.771 ' N ' HD12 ' A' ' 25' ' ' LEU . 55.9 mtpt -49.42 -16.41 0.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 -179.311 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -83.61 -68.32 0.72 Allowed 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -178.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.494 HD22 ' N ' ' A' ' 28' ' ' LEU . 3.0 mm? -90.44 -48.91 6.82 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 -178.618 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.583 ' CB ' ' HB2' ' A' ' 25' ' ' LEU . 6.5 t80 -43.68 -53.1 6.03 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -177.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.701 ' HG2' ' HA2' ' A' ' 38' ' ' GLY . 48.4 mtmt -68.39 -21.05 64.72 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 121.056 -0.258 . . . . 0.0 111.673 -179.106 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 17.6 ttt -81.33 -26.7 35.39 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 120.744 0.307 . . . . 0.0 111.251 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.637 HG23 HD11 ' A' ' 40' ' ' ILE . 9.4 tp -93.1 -28.51 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.239 0.543 . . . . 0.0 110.379 179.675 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 61.2 t0 -59.17 119.6 7.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.568 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 87.4 m -59.67 -12.81 7.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.214 0.53 . . . . 0.0 110.109 179.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.495 ' HB2' ' OE2' ' A' ' 44' ' ' GLU . 54.2 t0 -105.38 -22.57 13.01 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.012 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 49.2 t30 56.04 13.2 1.09 Allowed 'General case' 0 C--N 1.334 -0.107 0 CA-C-O 121.104 0.478 . . . . 0.0 109.978 -179.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 81.0 p -78.08 -19.46 54.16 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.835 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.701 ' HA2' ' HG2' ' A' ' 30' ' ' LYS . . . 111.11 3.78 27.75 Favored Glycine 0 N--CA 1.454 -0.158 0 CA-C-N 115.365 -0.834 . . . . 0.0 112.533 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 75.1 p -144.71 132.81 21.54 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.694 ' O ' HG22 ' A' ' 76' ' ' ILE . 76.8 mt -104.73 128.36 58.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.389 -179.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.76 ' HB ' HG22 ' A' ' 75' ' ' THR . 1.6 t -104.82 165.58 10.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.861 179.317 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.496 ' HB2' ' HG2' ' A' ' 65' ' ' MET . 15.2 t80 -38.36 -58.22 1.03 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.49 -0.777 . . . . 0.0 112.422 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -52.85 -37.65 60.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.038 0.447 . . . . 0.0 110.571 -179.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.495 ' OE2' ' HB2' ' A' ' 35' ' ' ASP . 91.4 mt-10 -89.15 -13.7 37.81 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.882 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.511 ' N ' ' O ' ' A' ' 41' ' ' THR . 63.3 tp -69.59 -53.27 19.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.739 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.814 ' HB3' HG21 ' A' ' 61' ' ' ILE . 0.3 OUTLIER -57.37 -20.7 31.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.47 -179.689 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.665 ' HA ' ' NZ ' ' A' ' 50' ' ' LYS . 10.0 t70 -65.44 -16.94 64.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.231 0.539 . . . . 0.0 110.372 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.506 ' O ' HG13 ' A' ' 52' ' ' VAL . . . -91.81 -42.81 4.65 Favored Glycine 0 N--CA 1.448 -0.541 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.163 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.537 HD12 HG12 ' A' ' 61' ' ' ILE . 92.9 mt -73.72 -20.36 60.55 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 178.716 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.665 ' NZ ' ' HA ' ' A' ' 47' ' ' ASP . 6.1 ttpm? -86.54 -41.29 14.46 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.242 179.351 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.526 ' HD3' ' C ' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -60.33 -37.89 82.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.016 -179.845 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.506 HG13 ' O ' ' A' ' 48' ' ' GLY . 33.2 m -65.73 -25.15 35.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.551 -179.503 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 94.33 49.23 2.44 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.352 -0.927 . . . . 0.0 113.135 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.713 ' HB2' ' HG ' ' A' ' 56' ' ' LEU . 94.8 p -117.36 118.37 32.05 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 179.209 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.464 ' HA ' ' OE1' ' A' ' 55' ' ' GLU . 4.4 mm-40 -84.63 33.12 0.51 Allowed 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.952 -179.655 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.713 ' HG ' ' HB2' ' A' ' 54' ' ' SER . 38.5 mt -60.45 179.21 0.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.73 -1.123 . . . . 0.0 110.995 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.555 ' HG2' ' H ' ' A' ' 60' ' ' GLU . 1.2 pmm? -82.87 127.36 33.43 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.049 178.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -56.9 -10.18 1.01 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.316 0.579 . . . . 0.0 110.587 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.419 ' O ' ' HG3' ' A' ' 62' ' ' LYS . 49.5 m -74.07 -41.25 62.01 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.449 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.555 ' H ' ' HG2' ' A' ' 57' ' ' MET . 42.9 tp10 -62.38 -15.78 50.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.942 179.151 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.814 HG21 ' HB3' ' A' ' 46' ' ' LYS . 19.1 mt -89.56 -33.22 5.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.704 -179.388 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.692 ' HD2' ' N ' ' A' ' 63' ' ' ASP . 0.0 OUTLIER -85.83 -33.48 21.32 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 -178.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.692 ' N ' ' HD2' ' A' ' 62' ' ' LYS . 57.1 p30 -82.71 -17.79 43.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.992 0.425 . . . . 0.0 110.461 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.522 ' HB2' ' O ' ' A' ' 60' ' ' GLU . 25.4 tp -86.97 -32.89 19.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.326 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.496 ' HG2' ' HB2' ' A' ' 42' ' ' PHE . 12.9 tpt -73.4 -34.09 65.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.217 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -74.69 -32.76 62.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.148 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -84.66 -14.59 48.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.422 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -98.8 -20.12 17.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.405 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -117.94 89.65 3.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.141 0.496 . . . . 0.0 110.674 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.584 ' N ' HD12 ' A' ' 70' ' ' ILE . 2.6 mp -83.76 -21.39 8.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.648 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -58.45 -18.25 27.12 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.819 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.553 ' HG2' ' O ' ' A' ' 70' ' ' ILE . 75.6 mmtt 62.92 12.55 5.9 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 179.6 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 51.0 m -74.46 -3.43 30.66 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.142 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 85.47 -26.18 5.91 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.738 -0.744 . . . . 0.0 111.896 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.76 HG22 ' HB ' ' A' ' 41' ' ' THR . 80.5 p -117.76 141.48 48.35 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 179.379 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.694 HG22 ' O ' ' A' ' 40' ' ' ILE . 10.5 tt -97.59 141.13 16.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.042 0.449 . . . . 0.0 111.586 -179.528 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -134.94 154.86 51.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.634 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.701 ' HB2' HD23 ' A' ' 25' ' ' LEU . 3.4 m-85 -42.27 -40.4 2.42 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.14 -0.482 . . . . 0.0 112.239 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -50.82 -46.87 48.43 Favored Glycine 0 CA--C 1.518 0.274 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.981 -179.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.626 ' OE2' ' HA ' ' A' ' 76' ' ' ILE . 9.4 pt-20 -88.55 -54.01 4.37 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.639 0.257 . . . . 0.0 111.279 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.494 ' HB2' HD11 ' A' ' 76' ' ' ILE . 27.5 t80 -42.34 -37.35 1.52 Allowed 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 116.133 -0.485 . . . . 0.0 112.084 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.66 HD13 ' O ' ' A' ' 82' ' ' ILE . 0.1 OUTLIER . . . . . 0 CA--C 1.531 0.247 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.924 -179.289 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.789 HD21 ' HB2' ' A' ' 78' ' ' TYR . 46.5 mt . . . . . 0 C--O 1.231 0.113 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.472 ' O ' ' HD3' ' A' ' 30' ' ' LYS . 14.5 mmmm -57.78 -19.15 26.09 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.263 -179.643 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.489 ' HB3' HD12 ' A' ' 28' ' ' LEU . 87.5 tt0 -89.35 -67.91 0.81 Allowed 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 112.597 0.592 . . . . 0.0 112.597 -179.227 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.54 ' N ' HD12 ' A' ' 28' ' ' LEU . 4.2 mp -89.92 -67.55 0.84 Allowed 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -178.164 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.719 ' HB2' HD22 ' A' ' 25' ' ' LEU . 10.3 t80 -34.94 -43.08 0.18 Allowed 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 -177.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.472 ' HD3' ' O ' ' A' ' 26' ' ' LYS . 13.0 pttm -64.74 -42.17 95.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.963 0.411 . . . . 0.0 111.116 -178.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 50.2 ttm -64.22 -27.03 68.78 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.442 -179.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.75 HG23 HD11 ' A' ' 40' ' ' ILE . 10.6 tp -92.56 -21.33 6.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.016 0.436 . . . . 0.0 110.701 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.461 ' OD2' ' HB3' ' A' ' 35' ' ' ASP . 31.0 t70 -85.67 125.08 32.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.46 179.549 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 72.6 m -59.94 -13.79 12.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.976 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.461 ' HB3' ' OD2' ' A' ' 33' ' ' ASP . 28.5 t70 -103.56 -16.41 15.54 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.259 -179.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.2 m120 50.87 18.91 0.56 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.257 179.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 81.0 p -83.69 -17.85 39.98 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-O 121.35 0.595 . . . . 0.0 109.493 179.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 107.2 4.81 35.34 Favored Glycine 0 N--CA 1.451 -0.336 0 CA-C-N 114.971 -1.013 . . . . 0.0 112.045 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 81.6 p -134.89 132.01 38.01 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.75 HD11 HG23 ' A' ' 32' ' ' ILE . 48.5 mt -104.58 138.47 29.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.832 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.93 HG22 HG22 ' A' ' 75' ' ' THR . 60.4 p -120.24 151.43 39.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.379 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.814 ' HB2' ' HG2' ' A' ' 65' ' ' MET . 19.1 t80 -44.25 -43.6 7.38 Favored 'General case' 0 N--CA 1.454 -0.271 0 O-C-N 123.335 0.397 . . . . 0.0 110.891 179.496 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -54.21 -42.13 69.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.949 179.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.478 ' O ' ' HB2' ' A' ' 47' ' ' ASP . 36.6 mt-10 -89.42 -16.19 31.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.094 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.615 HD22 ' HB2' ' A' ' 65' ' ' MET . 21.1 tp -58.6 -64.14 1.03 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.057 0.456 . . . . 0.0 110.591 -179.28 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.53 ' HB3' HG21 ' A' ' 61' ' ' ILE . 61.6 pttt -49.31 -32.9 11.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.746 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.582 ' HA ' ' HZ1' ' A' ' 50' ' ' LYS . 1.1 m-20 -48.11 -16.71 0.1 Allowed 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -179.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -64.89 -61.81 5.52 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.584 -0.817 . . . . 0.0 111.365 179.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.5 ' N ' HD12 ' A' ' 49' ' ' LEU . 6.2 mp -90.25 -14.03 34.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.862 0.363 . . . . 0.0 110.208 179.03 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.645 ' HD2' ' O ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -74.25 -32.52 63.0 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.54 -179.855 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.404 HH11 ' HG2' ' A' ' 51' ' ' ARG . 55.1 ttp85 -47.8 -36.76 12.28 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.563 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 35.0 m -89.64 -28.51 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.394 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 60.79 48.81 84.37 Favored Glycine 0 C--N 1.332 0.336 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.76 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 46.8 t -86.4 -95.47 0.08 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.628 0.251 . . . . 0.0 110.957 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -147.56 69.58 1.15 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.982 0.42 . . . . 0.0 110.374 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.92 ' H ' HD22 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -91.97 179.53 5.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.509 -179.641 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.483 ' O ' HG13 ' A' ' 61' ' ' ILE . 3.1 mpp? -114.02 98.73 7.16 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.76 178.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -60.93 -17.54 51.78 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 179.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.452 ' O ' ' HG3' ' A' ' 62' ' ' LYS . 78.8 p -87.79 -17.66 31.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 114.948 -1.024 . . . . 0.0 111.111 179.582 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.419 ' HG3' ' HG ' ' A' ' 64' ' ' LEU . 17.0 tp10 -90.4 -39.85 12.42 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.008 0.432 . . . . 0.0 109.948 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.53 HG21 ' HB3' ' A' ' 46' ' ' LYS . 31.6 mt -59.39 -26.09 33.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.561 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.609 ' HD3' ' N ' ' A' ' 63' ' ' ASP . 0.0 OUTLIER -73.53 -43.31 60.27 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.663 0.268 . . . . 0.0 110.726 -179.91 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.609 ' N ' ' HD3' ' A' ' 62' ' ' LYS . 2.9 p30 -80.11 -23.75 41.0 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 179.426 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.419 ' HG ' ' HG3' ' A' ' 60' ' ' GLU . 24.8 mt -72.64 -26.23 61.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.911 178.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.814 ' HG2' ' HB2' ' A' ' 42' ' ' PHE . 12.9 tpt -83.93 -39.65 19.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.468 179.388 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -74.65 -22.79 58.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.016 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.49 -56.86 12.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.208 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.6 -50.94 21.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -81.91 100.5 9.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.0 0.428 . . . . 0.0 110.776 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.531 ' O ' ' HG3' ' A' ' 72' ' ' LYS . 14.3 tt -84.21 -22.78 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.511 179.749 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -56.14 -24.57 41.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.608 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.531 ' HG3' ' O ' ' A' ' 70' ' ' ILE . 40.6 mttm 63.56 5.26 2.08 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-O 121.242 0.544 . . . . 0.0 110.157 -179.619 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 80.5 p -70.45 0.76 6.03 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.384 -0.826 . . . . 0.0 111.188 -179.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.47 -10.1 38.59 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.135 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.93 HG22 HG22 ' A' ' 41' ' ' THR . 71.7 p -119.89 127.46 52.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.812 0.339 . . . . 0.0 110.622 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.566 ' HA ' ' OE2' ' A' ' 80' ' ' GLU . 10.7 tt -96.38 134.9 32.29 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.093 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -117.9 162.95 17.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.669 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.789 ' HB2' HD21 ' A' ' 25' ' ' LEU . 30.2 t80 -62.15 -31.25 71.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.913 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.94 -44.39 97.48 Favored Glycine 0 CA--C 1.519 0.334 0 CA-C-N 115.825 -0.625 . . . . 0.0 113.706 -178.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.566 ' OE2' ' HA ' ' A' ' 76' ' ' ILE . 22.0 pt-20 -86.95 -43.3 12.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.882 0.341 . . . . 0.0 111.426 -179.263 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.413 ' CD1' HD11 ' A' ' 76' ' ' ILE . 30.7 t80 -44.88 -45.51 10.33 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.364 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.43 HG22 ' O ' ' A' ' 78' ' ' TYR . 10.2 tp . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.393 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.779 ' HG ' ' H ' ' A' ' 29' ' ' PHE . 14.0 tp . . . . . 0 N--CA 1.463 0.201 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -40.61 -22.68 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 25' ' ' LEU . 17.6 tp10 -83.72 -47.01 11.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.873 0.368 . . . . 0.0 111.443 -179.682 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.64 HD23 HD11 ' A' ' 25' ' ' LEU . 64.0 tp -88.48 -52.28 5.26 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.945 -0.57 . . . . 0.0 112.067 -178.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.779 ' H ' ' HG ' ' A' ' 25' ' ' LEU . 6.0 t80 -41.94 -43.22 3.03 Favored 'General case' 0 N--CA 1.463 0.188 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -178.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.4 ' O ' ' HA ' ' A' ' 36' ' ' ASN . 13.7 pttp -70.58 -40.12 73.46 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.167 0.508 . . . . 0.0 110.691 -179.599 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 56.9 ttp -74.42 -18.13 60.7 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.776 -179.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.734 HG23 HD11 ' A' ' 40' ' ' ILE . 10.5 tp -92.24 -25.48 5.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.124 0.488 . . . . 0.0 110.3 179.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.468 ' OD2' ' HB3' ' A' ' 35' ' ' ASP . 30.7 t70 -82.91 125.16 31.06 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.018 179.216 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.682 HG22 ' HB3' ' A' ' 44' ' ' GLU . 5.0 t -56.43 -31.61 64.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.394 0.616 . . . . 0.0 110.51 -179.585 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.602 ' HB2' ' OE2' ' A' ' 44' ' ' GLU . 20.5 t70 -80.87 -20.06 43.1 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.766 -179.563 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.4 ' HA ' ' O ' ' A' ' 30' ' ' LYS . 5.9 m120 50.78 19.55 0.63 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.856 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.401 ' HB3' ' OD2' ' A' ' 35' ' ' ASP . 84.5 p -82.64 -16.88 46.63 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-O 121.423 0.63 . . . . 0.0 109.5 179.679 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.7 17.6 14.48 Favored Glycine 0 N--CA 1.451 -0.342 0 CA-C-N 114.972 -1.013 . . . . 0.0 112.153 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 72.1 p -150.29 132.43 15.35 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.734 HD11 HG23 ' A' ' 32' ' ' ILE . 69.5 mt -104.61 143.66 15.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.756 -0.378 . . . . 0.0 111.304 -179.66 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.465 ' O ' ' N ' ' A' ' 45' ' ' LEU . 75.6 p -134.15 150.44 51.11 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.401 179.488 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.543 ' HB2' ' HG2' ' A' ' 65' ' ' MET . 15.4 t80 -34.8 -61.51 0.4 Allowed 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 123.483 0.713 . . . . 0.0 112.613 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -51.53 -37.75 50.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.981 0.42 . . . . 0.0 110.738 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.682 ' HB3' HG22 ' A' ' 34' ' ' THR . 38.9 mt-10 -87.3 -17.21 32.99 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.082 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.596 HD22 ' SD ' ' A' ' 65' ' ' MET . 35.3 tp -67.23 -61.72 1.78 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.205 0.526 . . . . 0.0 110.728 -179.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.711 ' HB3' HG21 ' A' ' 61' ' ' ILE . 22.3 pttp -55.29 -33.04 62.91 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.12 -179.647 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.519 ' O ' ' HB2' ' A' ' 51' ' ' ARG . 7.6 t70 -45.68 -16.16 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.164 -0.471 . . . . 0.0 112.044 -179.748 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 46' ' ' LYS . . . -68.72 -64.05 3.23 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.155 -1.021 . . . . 0.0 111.86 179.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.694 ' O ' HG12 ' A' ' 52' ' ' VAL . 3.5 mm? -91.5 -13.51 32.04 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.739 0.304 . . . . 0.0 110.794 179.287 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.758 ' HE3' HD13 ' A' ' 56' ' ' LEU . 11.9 mptt -86.71 -15.19 40.26 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.68 0.622 . . . . 0.0 112.68 -178.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.519 ' HB2' ' O ' ' A' ' 47' ' ' ASP . 30.1 tpt180 -70.73 -11.84 61.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.095 0.474 . . . . 0.0 110.247 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.694 HG12 ' O ' ' A' ' 49' ' ' LEU . 7.1 p -85.12 -28.39 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.997 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 62.65 49.03 76.88 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.871 -0.681 . . . . 0.0 113.051 179.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 70.7 m -80.86 -107.57 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.922 0.361 . . . . 0.0 110.711 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.413 ' O ' ' HG2' ' A' ' 55' ' ' GLU . 36.4 tt0 -143.07 30.61 1.42 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.443 0.639 . . . . 0.0 109.667 179.554 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.758 HD13 ' HE3' ' A' ' 50' ' ' LYS . 0.6 OUTLIER -81.59 168.05 18.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.718 -179.775 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.505 ' HG3' ' HG2' ' A' ' 60' ' ' GLU . 19.9 ptt? -123.1 119.61 30.8 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.294 -0.867 . . . . 0.0 110.596 179.688 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.435 ' OE1' ' N ' ' A' ' 58' ' ' GLU . 0.3 OUTLIER -58.44 -9.33 1.54 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.675 179.698 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 89.1 p -63.05 -18.9 63.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.221 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.505 ' HG2' ' HG3' ' A' ' 57' ' ' MET . 5.1 mm-40 -86.05 -42.45 13.94 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.476 179.175 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.711 HG21 ' HB3' ' A' ' 46' ' ' LYS . 41.5 mm -52.92 -18.82 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.236 179.356 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 12.4 mmmm -73.07 -64.95 0.87 Allowed 'General case' 0 CA--C 1.514 -0.413 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 179.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -58.55 -17.22 19.86 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 177.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.551 ' HB2' ' HA ' ' A' ' 61' ' ' ILE . 57.1 mt -85.64 -37.56 19.36 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 115.041 -0.981 . . . . 0.0 111.25 179.614 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.596 ' SD ' HD22 ' A' ' 45' ' ' LEU . 15.8 tpt -88.37 -58.16 2.66 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.741 0.305 . . . . 0.0 111.353 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -46.96 -43.59 19.33 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.877 -179.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.81 -21.19 48.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.524 -179.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.43 ' HB1' HD12 ' A' ' 76' ' ' ILE . . . -71.52 -34.26 69.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.628 -179.627 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.613 ' HA ' ' HB3' ' A' ' 80' ' ' GLU . 7.1 t70 -114.84 128.08 56.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.006 0.431 . . . . 0.0 111.176 -179.692 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.721 HG22 ' HG3' ' A' ' 80' ' ' GLU . 0.0 OUTLIER -83.39 -27.44 7.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.828 -179.29 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.586 ' C ' ' HD3' ' A' ' 72' ' ' LYS . 63.3 m-20 -71.26 0.31 8.24 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -179.489 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.586 ' HD3' ' C ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER 34.14 36.97 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.047 0.451 . . . . 0.0 111.237 -179.768 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 53.1 p -91.9 -2.08 56.99 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.529 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 85.13 -10.33 63.72 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.652 -0.785 . . . . 0.0 111.816 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.453 ' OG1' HG22 ' A' ' 41' ' ' THR . 94.6 m -123.57 127.27 48.06 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 179.674 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.43 HD12 ' HB1' ' A' ' 68' ' ' ALA . 10.6 tt -97.87 137.99 23.9 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 CA-C-O 121.203 0.525 . . . . 0.0 111.708 -179.543 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -120.36 177.7 4.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.043 179.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.511 ' CE1' ' HB2' ' A' ' 25' ' ' LEU . 28.1 t80 -56.75 -32.85 66.0 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.013 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.4 -41.4 99.76 Favored Glycine 0 CA--C 1.519 0.321 0 C-N-CA 121.019 -0.61 . . . . 0.0 113.451 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.721 ' HG3' HG22 ' A' ' 70' ' ' ILE . 5.5 mp0 -84.79 -35.78 22.14 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.913 0.356 . . . . 0.0 110.987 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.401 ' HA ' HD11 ' A' ' 76' ' ' ILE . 43.1 t80 -52.05 -44.81 64.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.31 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.423 HG22 ' O ' ' A' ' 78' ' ' TYR . 8.0 tp . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.393 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.689 ' HB2' ' HA2' ' A' ' 38' ' ' GLY . 2.0 pt? . . . . . 0 N--CA 1.461 0.113 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.442 ' O ' ' HD3' ' A' ' 30' ' ' LYS . 40.1 ttmt -73.89 -67.5 0.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -179.075 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -89.35 -67.57 0.83 Allowed 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 -178.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.547 HD22 ' H ' ' A' ' 28' ' ' LEU . 3.5 mm? -46.36 -60.74 2.15 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 113.127 0.788 . . . . 0.0 113.127 -177.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.608 ' HB2' ' HA ' ' A' ' 25' ' ' LEU . 5.5 m-85 -61.13 -62.28 1.96 Allowed 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 -178.281 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.537 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 29.3 mtpp -45.59 -26.17 0.56 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.874 0.368 . . . . 0.0 111.227 -179.374 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 51.0 ttm -89.67 -35.85 15.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.244 179.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 74.0 mt -93.97 -65.7 1.07 Allowed 'Isoleucine or valine' 0 CA--C 1.521 -0.14 0 CA-C-O 120.972 0.415 . . . . 0.0 110.93 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.412 ' N ' ' O ' ' A' ' 29' ' ' PHE . 54.5 t0 -44.84 110.45 0.23 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.989 179.763 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 52.4 m -62.06 -9.88 8.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.251 0.548 . . . . 0.0 109.743 179.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.55 ' HB2' ' OE1' ' A' ' 44' ' ' GLU . 53.5 t0 -98.89 -23.33 15.39 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.279 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.1 m120 52.84 19.38 1.29 Allowed 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 -179.232 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 79.8 p -81.31 -14.17 57.63 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 121.466 0.65 . . . . 0.0 109.378 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.689 ' HA2' ' HB2' ' A' ' 25' ' ' LEU . . . 104.86 10.12 33.3 Favored Glycine 0 N--CA 1.45 -0.424 0 CA-C-N 114.814 -1.084 . . . . 0.0 112.092 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 35.8 m -141.53 131.08 23.9 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.623 -0.288 . . . . 0.0 110.253 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 96.7 mt -105.27 121.46 57.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 120.909 -0.317 . . . . 0.0 111.15 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.573 HG22 ' HB ' ' A' ' 75' ' ' THR . 63.2 p -111.95 136.54 51.15 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.188 179.408 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -34.72 -50.1 0.45 Allowed 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 123.25 0.62 . . . . 0.0 111.906 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -48.07 -44.29 31.33 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.135 0.493 . . . . 0.0 110.259 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.55 ' OE1' ' HB2' ' A' ' 35' ' ' ASP . 29.5 mt-10 -82.44 -35.12 27.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.479 179.336 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.594 ' CD2' ' HB2' ' A' ' 65' ' ' MET . 41.4 tp -48.82 -54.86 13.45 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.035 -179.364 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.797 ' HG2' HG21 ' A' ' 61' ' ' ILE . 8.1 mtpm? -50.57 -47.75 57.82 Favored 'General case' 0 C--O 1.224 -0.245 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.237 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.5 ' HA ' ' HB3' ' A' ' 50' ' ' LYS . 8.7 t70 -50.1 -17.11 0.37 Allowed 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.513 -179.707 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -69.67 -54.98 10.48 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.944 -0.646 . . . . 0.0 111.568 179.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.47 ' C ' HD13 ' A' ' 56' ' ' LEU . 87.1 mt -89.69 -13.21 37.43 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 178.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.5 ' HB3' ' HA ' ' A' ' 47' ' ' ASP . 88.4 tttt -86.21 -21.76 27.29 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.805 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 30.2 tpt180 -45.1 -33.16 2.04 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.986 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.0 m -105.5 -28.92 2.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.144 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 56.51 48.21 78.14 Favored Glycine 0 C--N 1.331 0.284 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.637 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 46.9 t -72.92 -83.93 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.785 0.326 . . . . 0.0 110.933 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -145.87 22.92 1.41 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.618 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.669 HD23 ' H ' ' A' ' 56' ' ' LEU . 1.8 pt? -55.92 164.19 1.26 Allowed 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 121.396 0.617 . . . . 0.0 111.681 -179.621 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.42 ' C ' ' H ' ' A' ' 59' ' ' SER . 21.4 ptp -126.11 122.65 36.35 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.861 178.752 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -53.33 -9.16 0.15 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.428 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.42 ' H ' ' C ' ' A' ' 57' ' ' MET . 48.2 t -76.24 -41.22 49.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.386 -179.279 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.622 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 69.6 mm-40 -73.5 -16.3 61.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.867 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.797 HG21 ' HG2' ' A' ' 46' ' ' LYS . 16.5 mt -86.37 -47.09 16.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.021 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.659 ' HD3' ' N ' ' A' ' 63' ' ' ASP . 0.0 OUTLIER -73.42 -30.6 63.33 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.87 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.659 ' N ' ' HD3' ' A' ' 62' ' ' LYS . 60.0 t0 -79.37 -19.14 50.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.342 0.591 . . . . 0.0 109.527 179.243 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.622 ' HB2' ' O ' ' A' ' 60' ' ' GLU . 36.6 tp -86.22 -30.11 22.64 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.208 179.653 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.594 ' HB2' ' CD2' ' A' ' 45' ' ' LEU . 10.2 tmm? -89.01 -64.99 1.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.22 -179.623 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.541 ' HA ' ' OD1' ' A' ' 69' ' ' ASP . 63.6 t0 -54.7 -62.01 1.93 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.167 -178.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.589 ' HB3' ' O ' ' A' ' 63' ' ' ASP . . . -59.43 -7.31 1.32 Allowed 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -178.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -106.01 -20.89 13.29 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.815 0.302 . . . . 0.0 111.815 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.67 ' HB3' ' HB ' ' A' ' 76' ' ' ILE . 1.4 p-10 -110.33 131.07 55.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.986 0.422 . . . . 0.0 110.154 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.53 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 9.1 tp -84.58 -29.01 6.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.966 -178.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -56.48 -24.97 49.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.955 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.608 ' NZ ' ' HB3' ' A' ' 72' ' ' LYS . 2.7 mmmp? 57.62 15.16 2.7 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-O 121.324 0.583 . . . . 0.0 109.652 -179.266 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 78.6 p -78.34 -5.61 52.69 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.095 -0.957 . . . . 0.0 111.569 -179.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 98.45 -14.29 62.24 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.097 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.573 ' HB ' HG22 ' A' ' 41' ' ' THR . 9.8 t -117.46 177.7 4.65 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 179.473 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.67 ' HB ' ' HB3' ' A' ' 69' ' ' ASP . 12.1 tt -157.79 145.08 9.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 CA-C-O 121.217 0.532 . . . . 0.0 112.299 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.577 ' OD1' ' HB2' ' A' ' 80' ' ' GLU . 6.6 p-10 -120.33 169.27 10.44 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.314 178.707 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -64.88 -40.63 95.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.903 0.383 . . . . 0.0 111.358 -178.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -74.43 -13.77 81.43 Favored Glycine 0 N--CA 1.453 -0.23 0 CA-C-N 115.915 -0.584 . . . . 0.0 113.054 -179.245 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.577 ' HB2' ' OD1' ' A' ' 77' ' ' ASP . 88.4 tt0 -79.45 -55.02 5.36 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.97 0.414 . . . . 0.0 110.793 -179.513 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -50.93 -36.08 36.66 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.231 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 8.1 tp . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.361 -179.731 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.489 ' O ' ' HG2' ' A' ' 30' ' ' LYS . 31.3 tp . . . . . 0 N--CA 1.467 0.418 0 N-CA-C 113.059 0.763 . . . . 0.0 113.059 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.646 ' HB2' ' NZ ' ' A' ' 26' ' ' LYS . 4.8 ttmp? -90.73 -68.17 0.8 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 -178.216 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -89.44 -68.26 0.79 Allowed 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 -177.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.454 HD22 ' N ' ' A' ' 28' ' ' LEU . 3.5 mm? -60.14 -66.38 0.53 Allowed 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 113.301 0.852 . . . . 0.0 113.301 -177.249 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.468 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 3.6 t80 -43.55 -46.05 6.89 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -177.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.489 ' HG2' ' O ' ' A' ' 25' ' ' LEU . 14.3 mmmm -70.52 -29.66 66.22 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -179.29 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 54.6 ttp -89.76 -14.42 34.61 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -178.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.817 HG23 HD11 ' A' ' 40' ' ' ILE . 14.5 tt -92.53 -28.28 4.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.734 0.302 . . . . 0.0 111.61 -178.714 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -89.1 124.99 34.83 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.447 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 89.3 m -65.03 -15.04 61.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.149 0.499 . . . . 0.0 110.124 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -100.57 -19.73 16.01 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.691 -0.686 . . . . 0.0 112.197 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 49.56 22.28 0.73 Allowed 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 81.0 p -84.65 -15.88 43.86 Favored 'General case' 0 CA--C 1.511 -0.528 0 CA-C-O 121.52 0.676 . . . . 0.0 109.318 -179.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.24 25.19 7.17 Favored Glycine 0 N--CA 1.449 -0.456 0 CA-C-N 114.788 -1.096 . . . . 0.0 111.76 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 54.7 m -161.62 132.96 5.36 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.558 -0.321 . . . . 0.0 110.41 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.817 HD11 HG23 ' A' ' 32' ' ' ILE . 50.4 mt -104.96 150.67 7.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.936 0.398 . . . . 0.0 111.217 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.562 ' O ' ' N ' ' A' ' 45' ' ' LEU . 21.3 m -133.77 165.69 24.39 Favored 'General case' 0 C--O 1.22 -0.453 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 179.236 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -59.6 -54.24 48.82 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 122.519 0.328 . . . . 0.0 111.151 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -55.51 -29.99 59.86 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.317 0.58 . . . . 0.0 109.673 179.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -89.24 -22.9 22.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.579 179.015 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.562 ' N ' ' O ' ' A' ' 41' ' ' THR . 59.2 tp -66.93 -64.25 0.89 Allowed 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.039 -0.982 . . . . 0.0 111.005 -179.331 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.669 ' HA ' HD13 ' A' ' 61' ' ' ILE . 14.2 ptmm? -55.76 -38.38 69.76 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.475 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -66.11 -16.64 64.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.088 0.471 . . . . 0.0 110.461 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -89.03 -41.37 5.91 Favored Glycine 0 N--CA 1.45 -0.4 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.258 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.726 HD11 HD12 ' A' ' 56' ' ' LEU . 7.8 tt -77.16 -20.37 55.59 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 178.5 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -84.74 -36.46 21.77 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.264 179.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 55.1 ttp180 -51.04 -30.64 16.11 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.962 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 34.4 m -88.97 -30.79 5.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.899 179.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 67.73 49.07 52.05 Favored Glycine 0 C--N 1.332 0.329 0 C-N-CA 120.708 -0.758 . . . . 0.0 113.032 179.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 60.3 m -60.67 -101.15 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.757 0.279 . . . . 0.0 110.913 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -175.38 42.36 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.771 0.319 . . . . 0.0 110.847 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.726 HD12 HD11 ' A' ' 49' ' ' LEU . 16.5 mt -111.89 178.75 4.21 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 121.281 0.562 . . . . 0.0 111.281 -179.677 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.466 ' C ' ' H ' ' A' ' 59' ' ' SER . 50.3 tpp -107.16 125.21 50.79 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.281 178.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.513 ' HA ' HD12 ' A' ' 61' ' ' ILE . 11.9 pm0 -50.47 -10.68 0.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.18 0.514 . . . . 0.0 111.564 -179.617 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.588 ' O ' ' HG3' ' A' ' 62' ' ' LYS . 53.9 m -67.4 -44.9 77.72 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.371 -179.575 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.503 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 43.5 tt0 -68.23 -20.07 64.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.855 0.36 . . . . 0.0 110.209 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.669 HD13 ' HA ' ' A' ' 46' ' ' LYS . 46.9 mt -69.11 -37.74 77.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.491 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.588 ' HG3' ' O ' ' A' ' 59' ' ' SER . 0.0 OUTLIER -73.41 -35.94 65.91 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.667 0.27 . . . . 0.0 110.576 -179.704 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -78.89 -24.26 44.29 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 121.135 0.493 . . . . 0.0 109.734 179.012 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.503 ' HB2' ' O ' ' A' ' 60' ' ' GLU . 34.7 tp -75.0 -29.6 60.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.85 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 13.2 tmm? -82.64 -45.36 14.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.95 -179.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -63.4 -52.51 61.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.352 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.38 -7.47 31.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.846 -179.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.554 ' HB1' ' HD1' ' A' ' 81' ' ' PHE . . . -94.81 -48.77 5.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.78 0.324 . . . . 0.0 111.469 -179.727 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -94.49 118.71 32.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.077 0.465 . . . . 0.0 110.893 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.451 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 14.4 tt -83.58 -19.86 9.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.533 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.579 ' HB2' ' OE2' ' A' ' 80' ' ' GLU . 58.2 t0 -64.24 -13.0 46.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.309 179.612 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.451 ' HG2' ' O ' ' A' ' 70' ' ' ILE . 45.4 mmtm 46.73 28.02 0.75 Allowed 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.925 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 81.0 p -94.17 -1.37 54.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.055 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 90.01 -16.28 57.41 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.442 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.469 HG22 ' OG1' ' A' ' 41' ' ' THR . 69.3 p -110.75 127.63 55.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.857 0.36 . . . . 0.0 110.812 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.42 HD11 ' HB2' ' A' ' 81' ' ' PHE . 6.7 tp -98.47 140.57 17.95 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.481 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -128.49 152.85 47.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.471 179.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 3.9 m-30 -60.33 -14.02 16.12 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.756 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -88.23 -40.87 6.37 Favored Glycine 0 N--CA 1.453 -0.185 0 C-N-CA 120.571 -0.823 . . . . 0.0 112.956 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.579 ' OE2' ' HB2' ' A' ' 71' ' ' ASP . 51.1 mt-10 -88.15 -20.92 24.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.864 0.364 . . . . 0.0 111.032 -179.514 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.554 ' HD1' ' HB1' ' A' ' 68' ' ' ALA . 22.9 t80 -60.64 -56.01 26.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.759 179.634 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 8.8 tp . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.96 -179.922 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.824 HD13 ' HA2' ' A' ' 38' ' ' GLY . 29.1 tp . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.768 0.318 . . . . 0.0 111.576 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -73.28 -67.7 0.56 Allowed 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -178.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -89.13 -67.71 0.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -178.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 96.0 mt -44.81 -63.72 0.85 Allowed 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 113.29 0.848 . . . . 0.0 113.29 -177.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.573 ' HB2' ' HA ' ' A' ' 25' ' ' LEU . 10.8 m-85 -59.29 -65.21 0.71 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -178.169 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.583 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 27.6 mtpp -41.95 -30.81 0.29 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.897 -178.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 54.7 ttm -89.83 -31.7 17.25 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 47.3 mm -93.87 -65.32 1.12 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.398 0 CA-C-O 121.066 0.46 . . . . 0.0 110.224 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.572 ' HA ' ' OE2' ' A' ' 44' ' ' GLU . 67.8 t0 -48.81 102.45 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.7 179.112 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 90.5 m -59.94 -15.68 23.8 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-O 121.63 0.729 . . . . 0.0 109.385 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.497 ' HB3' ' OG ' ' A' ' 37' ' ' SER . 66.2 m-20 -100.74 -17.78 16.79 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 114.675 -1.148 . . . . 0.0 111.96 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.438 ' ND2' ' HA ' ' A' ' 30' ' ' LYS . 4.1 m120 51.03 17.7 0.47 Allowed 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 -178.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.497 ' OG ' ' HB3' ' A' ' 35' ' ' ASP . 15.9 m -69.84 -15.73 63.15 Favored 'General case' 0 CA--C 1.511 -0.54 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.824 ' HA2' HD13 ' A' ' 25' ' ' LEU . . . 101.29 3.88 53.63 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 114.484 -1.235 . . . . 0.0 111.792 -179.433 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 69.4 p -139.19 136.47 35.08 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.643 ' HA ' ' OE2' ' A' ' 44' ' ' GLU . 59.4 mt -104.1 136.48 37.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.848 -179.633 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.579 HG23 ' O ' ' A' ' 74' ' ' GLY . 15.5 m -131.7 162.45 30.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.355 -179.449 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.562 ' HE1' ' HB ' ' A' ' 61' ' ' ILE . 55.1 t80 -49.24 -32.22 10.23 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 124.035 0.934 . . . . 0.0 112.217 179.68 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -66.5 -58.44 5.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.085 0.469 . . . . 0.0 110.642 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.643 ' OE2' ' HA ' ' A' ' 40' ' ' ILE . 12.6 pt-20 -75.55 -17.31 60.11 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.248 179.681 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.517 HD23 HG22 ' A' ' 61' ' ' ILE . 37.6 tp -55.46 -67.1 0.31 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.117 -179.117 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.833 ' HB3' HD13 ' A' ' 61' ' ' ILE . 26.1 pttm -54.96 -38.57 67.94 Favored 'General case' 0 C--O 1.222 -0.366 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.83 -179.24 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.48 ' O ' ' HB2' ' A' ' 51' ' ' ARG . 30.3 m-20 -46.14 -15.02 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 -179.559 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 46' ' ' LYS . . . -86.65 -60.3 1.72 Allowed Glycine 0 N--CA 1.453 -0.194 0 C-N-CA 120.733 -0.746 . . . . 0.0 113.437 -178.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 87.1 mt -85.27 -21.37 29.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.142 0.496 . . . . 0.0 110.759 -179.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.843 ' HE3' ' HB3' ' A' ' 56' ' ' LEU . 11.6 mptt -86.78 -15.18 40.1 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.104 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.515 ' HD3' ' C ' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -43.24 -35.9 1.6 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.832 179.685 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 35.5 m -101.35 -22.41 4.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.375 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 59.07 48.26 86.78 Favored Glycine 0 C--N 1.331 0.297 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.222 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 45.5 t -75.56 -84.03 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.782 0.289 . . . . 0.0 111.782 -179.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -115.1 -16.1 11.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.606 -178.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.843 ' HB3' ' HE3' ' A' ' 50' ' ' LYS . 3.0 mm? -49.42 148.64 2.61 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-O 121.472 0.653 . . . . 0.0 112.106 -179.591 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.458 ' C ' ' H ' ' A' ' 59' ' ' SER . 48.6 ttm -126.05 132.7 51.9 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 114.899 -1.046 . . . . 0.0 109.427 178.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.513 ' HA ' ' CD1' ' A' ' 61' ' ' ILE . 38.6 tt0 -51.18 -9.71 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.538 -179.714 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.458 ' H ' ' C ' ' A' ' 57' ' ' MET . 86.4 p -85.13 -41.47 15.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.98 -179.159 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.466 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 44.1 tt0 -64.4 -25.16 67.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.559 0.219 . . . . 0.0 111.058 -179.436 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.833 HD13 ' HB3' ' A' ' 46' ' ' LYS . 3.9 mt -63.15 -24.6 36.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.349 -179.484 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.443 ' HE3' ' O ' ' A' ' 58' ' ' GLU . 29.1 mmtp -70.84 -64.23 0.94 Allowed 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 121.104 0.478 . . . . 0.0 109.748 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.489 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 8.7 t70 -59.42 -17.13 28.08 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 178.274 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.487 ' O ' ' HB2' ' A' ' 68' ' ' ALA . 40.6 tp -80.61 -45.68 16.9 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.514 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.462 ' HG3' ' HB2' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -88.07 -55.77 3.61 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.655 -178.932 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -50.44 -40.71 51.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.452 -179.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.489 ' HB3' ' O ' ' A' ' 63' ' ' ASP . . . -83.09 -17.35 43.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.728 0.299 . . . . 0.0 111.298 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.689 ' HB1' HD12 ' A' ' 76' ' ' ILE . . . -62.65 -56.64 15.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.173 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.576 ' HB2' ' OE1' ' A' ' 80' ' ' GLU . 7.4 p-10 -110.3 127.64 55.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.123 0.487 . . . . 0.0 110.491 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.596 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 15.9 tt -83.91 -14.39 11.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.541 -179.568 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.45 ' HB2' ' OE2' ' A' ' 80' ' ' GLU . 56.9 t0 -59.01 -20.66 55.12 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.45 179.749 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.596 ' HG2' ' O ' ' A' ' 70' ' ' ILE . 34.0 mmtp 58.36 15.24 3.33 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-N 115.987 -0.552 . . . . 0.0 109.943 -179.487 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 87.3 p -77.34 0.74 21.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.371 -0.832 . . . . 0.0 111.382 -179.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.579 ' O ' HG23 ' A' ' 41' ' ' THR . . . 78.23 -3.36 62.48 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.259 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.473 HG22 ' OG1' ' A' ' 41' ' ' THR . 70.3 p -140.44 132.53 27.94 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 179.625 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.689 HD12 ' HB1' ' A' ' 68' ' ' ALA . 15.0 tt -94.58 140.62 16.36 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 CA-C-O 121.091 0.472 . . . . 0.0 111.73 -179.33 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -110.76 167.96 9.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.248 179.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.494 ' HB2' ' CZ ' ' A' ' 29' ' ' PHE . 33.2 t80 -73.24 -32.35 64.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.169 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -74.16 -26.4 68.6 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.776 -0.726 . . . . 0.0 113.113 -179.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.576 ' OE1' ' HB2' ' A' ' 69' ' ' ASP . 34.2 tt0 -88.49 -43.11 11.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.913 0.387 . . . . 0.0 110.764 -179.775 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.514 ' HB2' HD11 ' A' ' 76' ' ' ILE . 28.9 t80 -57.38 -42.64 82.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.145 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 13.8 tt . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.393 -179.668 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.5 ' C ' HD13 ' A' ' 25' ' ' LEU . 3.2 tm? . . . . . 0 CA--C 1.532 0.266 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -92.53 -69.54 0.74 Allowed 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 114.774 1.398 . . . . 0.0 114.774 -177.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -89.51 -67.88 0.81 Allowed 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 -176.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.535 HD22 ' H ' ' A' ' 28' ' ' LEU . 3.8 mm? -38.37 -35.87 0.2 Allowed 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 -177.465 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.406 ' HD1' ' HA ' ' A' ' 29' ' ' PHE . 0.5 OUTLIER -55.27 -58.09 9.14 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.914 0.388 . . . . 0.0 111.264 -179.699 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -70.84 -21.14 62.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.627 -179.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 25.1 mmt -88.02 -17.51 31.03 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -178.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.515 HG12 ' O ' ' A' ' 28' ' ' LEU . 29.9 mm -93.67 -54.42 7.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.365 0.603 . . . . 0.0 109.796 179.273 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.4 ' OD2' ' N ' ' A' ' 36' ' ' ASN . 12.4 t70 -56.58 105.78 0.24 Allowed 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.988 179.084 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.1 t -56.89 -25.6 57.34 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-O 121.748 0.785 . . . . 0.0 109.61 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -76.72 -24.91 53.07 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.262 -1.335 . . . . 0.0 110.299 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.4 ' N ' ' OD2' ' A' ' 33' ' ' ASP . 5.3 m120 53.37 16.66 0.91 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.002 -179.365 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 70.6 p -77.31 -19.26 56.64 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 107.83 14.57 16.99 Favored Glycine 0 N--CA 1.451 -0.324 0 CA-C-N 114.972 -1.013 . . . . 0.0 112.373 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.522 ' HB ' ' CG2' ' A' ' 75' ' ' THR . 24.2 p -157.44 142.61 17.0 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.481 HD12 ' HE1' ' A' ' 78' ' ' TYR . 84.2 mt -104.58 143.71 15.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.662 0.268 . . . . 0.0 110.966 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.541 ' O ' ' HG2' ' A' ' 44' ' ' GLU . 82.8 p -134.26 145.14 48.83 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.286 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.568 ' HB2' ' HG2' ' A' ' 65' ' ' MET . 35.1 t80 -34.83 -43.25 0.18 Allowed 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 123.333 0.653 . . . . 0.0 112.391 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -48.28 -49.64 32.86 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.935 0.398 . . . . 0.0 110.748 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.541 ' HG2' ' O ' ' A' ' 41' ' ' THR . 12.7 pt-20 -86.61 -33.24 20.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.546 179.596 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.597 HD22 ' HB3' ' A' ' 65' ' ' MET . 48.5 tp -43.64 -62.57 1.05 Allowed 'General case' 0 C--O 1.231 0.131 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.471 -179.594 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.513 ' HB3' HG21 ' A' ' 61' ' ' ILE . 14.1 ptmm? -49.62 -54.49 18.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.901 -179.522 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.641 ' HA ' ' HB3' ' A' ' 50' ' ' LYS . 58.7 m-20 -64.01 -16.07 60.82 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.773 0.32 . . . . 0.0 111.46 -179.589 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -74.88 -43.58 27.29 Favored Glycine 0 CA--C 1.505 -0.533 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.618 ' HG ' HD23 ' A' ' 56' ' ' LEU . 28.8 tp -89.43 -19.38 25.22 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 178.606 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.641 ' HB3' ' HA ' ' A' ' 47' ' ' ASP . 57.4 tptt -79.18 -26.38 42.68 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.994 179.502 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.477 ' HE ' ' HA ' ' A' ' 51' ' ' ARG . 5.6 tpm_? -46.62 -30.04 2.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.088 179.624 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.552 HG22 ' O ' ' A' ' 49' ' ' LEU . 23.8 m -89.9 -31.45 5.27 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.273 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 59.01 49.46 78.26 Favored Glycine 0 C--N 1.332 0.339 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.929 179.35 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 44.6 t -79.78 -99.13 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.825 0.312 . . . . 0.0 110.851 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -141.16 54.1 1.56 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.987 0.422 . . . . 0.0 110.071 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.618 HD23 ' HG ' ' A' ' 49' ' ' LEU . 1.1 pp -103.57 164.45 11.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.462 0.649 . . . . 0.0 112.568 -179.007 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.446 ' HG3' ' HG2' ' A' ' 60' ' ' GLU . 21.1 ptm -126.53 120.9 30.8 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.934 -1.03 . . . . 0.0 109.644 178.712 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -55.23 -9.71 0.46 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.77 -179.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.5 t -75.67 -28.78 58.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.338 -179.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.446 ' HG2' ' HG3' ' A' ' 57' ' ' MET . 58.5 mm-40 -89.16 -17.81 28.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.96 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.513 HG21 ' HB3' ' A' ' 46' ' ' LYS . 41.2 mm -69.45 -39.93 79.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.75 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.586 ' HD2' ' N ' ' A' ' 63' ' ' ASP . 0.0 OUTLIER -75.81 -27.7 58.02 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.997 0.427 . . . . 0.0 110.524 179.823 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.586 ' N ' ' HD2' ' A' ' 62' ' ' LYS . 8.9 t70 -86.26 -18.86 30.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.108 179.523 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.435 ' HB2' ' O ' ' A' ' 60' ' ' GLU . 41.8 tp -78.52 -44.41 24.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.416 179.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.597 ' HB3' HD22 ' A' ' 45' ' ' LEU . 3.7 ppp? -73.4 -19.78 60.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.979 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -84.07 -40.4 18.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.805 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -79.77 -46.94 16.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.265 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.74 -53.68 55.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.222 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.494 ' HB2' ' HB ' ' A' ' 76' ' ' ILE . 4.4 t70 -83.53 114.57 21.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.078 0.466 . . . . 0.0 110.697 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 14.2 tt -85.25 -20.63 8.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.024 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.525 ' O ' ' HG3' ' A' ' 72' ' ' LYS . 29.9 t70 -63.76 -10.45 19.8 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.226 -179.655 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.525 ' HG3' ' O ' ' A' ' 71' ' ' ASP . 7.2 pttm 39.92 27.05 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.603 179.675 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 89.2 p -90.72 -0.97 57.87 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.221 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 88.1 -19.15 36.23 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.565 -0.826 . . . . 0.0 111.571 -179.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.522 ' CG2' ' HB ' ' A' ' 39' ' ' THR . 96.7 m -111.33 127.17 55.56 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 179.2 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.494 ' HB ' ' HB2' ' A' ' 69' ' ' ASP . 14.1 tt -114.85 152.51 16.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 -178.167 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.417 ' N ' HG12 ' A' ' 76' ' ' ILE . 1.5 m-20 -131.07 154.63 48.05 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 114.659 -1.155 . . . . 0.0 109.329 178.566 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.481 ' HE1' HD12 ' A' ' 40' ' ' ILE . 2.2 m-85 -70.63 -20.44 62.73 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.998 -179.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -83.53 -23.58 53.28 Favored Glycine 0 CA--C 1.521 0.442 0 C-N-CA 120.794 -0.717 . . . . 0.0 113.826 -179.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -88.15 -36.37 16.89 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 117.221 0.511 . . . . 0.0 111.635 -179.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -48.05 -24.2 1.02 Allowed 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.544 ' N ' HD12 ' A' ' 82' ' ' ILE . 1.9 mp . . . . . 0 C--N 1.331 -0.223 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -178.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.454 ' O ' ' HB2' ' A' ' 30' ' ' LYS . 66.7 mttm -92.29 -68.78 0.78 Allowed 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 115.46 1.652 . . . . 0.0 115.46 -177.133 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -90.32 -69.62 0.72 Allowed 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 116.163 1.912 . . . . 0.0 116.163 -175.176 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.1 mp -38.51 -64.1 0.45 Allowed 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 -175.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.526 ' HA ' HG22 ' A' ' 32' ' ' ILE . 2.1 t80 -71.53 -57.59 4.28 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -177.463 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.521 ' HD3' ' HA2' ' A' ' 38' ' ' GLY . 73.9 mmtt -47.85 -25.53 1.33 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -178.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 50.5 ttm -90.15 -22.56 21.67 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 112.534 0.568 . . . . 0.0 112.534 -178.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.794 HG23 HD11 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -91.72 -39.85 11.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.549 0.214 . . . . 0.0 110.886 -179.242 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.415 ' HA ' HG12 ' A' ' 40' ' ' ILE . 30.4 t70 -53.49 126.09 20.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.916 0.389 . . . . 0.0 110.443 179.585 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 89.3 m -61.93 -15.83 46.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.111 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.412 ' HB2' ' OD2' ' A' ' 33' ' ' ASP . 71.7 m-20 -104.42 -13.76 15.97 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.662 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 71.6 m-20 53.2 16.77 0.86 Allowed 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 -179.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 59.7 p -80.01 -19.07 48.62 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.752 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.521 ' HA2' ' HD3' ' A' ' 30' ' ' LYS . . . 107.01 0.59 35.93 Favored Glycine 0 N--CA 1.452 -0.266 0 CA-C-N 115.21 -0.904 . . . . 0.0 112.726 179.651 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.562 ' HB ' ' HB ' ' A' ' 75' ' ' THR . 75.5 p -139.05 131.59 28.74 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 179.566 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.794 HD11 HG23 ' A' ' 32' ' ' ILE . 72.8 mt -104.31 140.74 21.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.992 -179.608 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.5 ' O ' ' N ' ' A' ' 45' ' ' LEU . 2.1 t -116.24 165.01 13.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.01 0.433 . . . . 0.0 111.401 179.732 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.4 ' HB2' ' HG3' ' A' ' 65' ' ' MET . 28.1 t80 -37.65 -61.54 0.61 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.83 -1.077 . . . . 0.0 112.6 179.767 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.567 ' HA ' ' HE2' ' A' ' 46' ' ' LYS . 8.5 t70 -51.4 -38.69 54.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.853 0.358 . . . . 0.0 111.147 -179.308 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 77.5 mt-10 -89.29 -14.03 36.7 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.863 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 41' ' ' THR . 42.5 tp -72.49 -49.75 30.84 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.584 -179.776 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.567 ' HE2' ' HA ' ' A' ' 43' ' ' ASP . 59.4 pttt -60.29 -22.17 62.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.619 -0.718 . . . . 0.0 111.182 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.743 ' HA ' ' HB3' ' A' ' 50' ' ' LYS . 33.3 t70 -56.49 -17.44 8.3 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.033 0.444 . . . . 0.0 110.398 179.644 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -70.43 -48.64 35.95 Favored Glycine 0 N--CA 1.45 -0.429 0 N-CA-C 111.101 -0.8 . . . . 0.0 111.101 179.15 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.565 ' O ' HD23 ' A' ' 56' ' ' LEU . 2.9 mm? -89.96 -13.95 35.1 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 178.621 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.743 ' HB3' ' HA ' ' A' ' 47' ' ' ASP . 87.4 tttt -75.54 -38.71 59.1 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.546 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 56.7 ttp180 -44.91 -38.15 4.45 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.303 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 35.5 m -89.67 -30.35 5.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.154 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 45.42 48.29 11.54 Favored Glycine 0 C--N 1.333 0.37 0 CA-C-N 116.147 -0.479 . . . . 0.0 113.287 179.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 46.0 t -79.64 -81.93 0.11 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.86 0.362 . . . . 0.0 110.739 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.416 ' O ' ' HG2' ' A' ' 55' ' ' GLU . 86.3 tt0 -150.32 39.85 0.76 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.397 0.618 . . . . 0.0 109.788 179.562 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.565 HD23 ' O ' ' A' ' 49' ' ' LEU . 1.9 pp -60.55 178.4 0.22 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.976 -179.518 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.459 ' HG2' ' H ' ' A' ' 59' ' ' SER . 49.0 ttm -126.34 107.18 10.06 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.01 -0.996 . . . . 0.0 109.569 178.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -58.17 -12.81 3.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.132 0.492 . . . . 0.0 110.231 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.459 ' H ' ' HG2' ' A' ' 57' ' ' MET . 47.4 t -87.68 -27.97 22.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.728 179.406 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.437 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 44.8 tt0 -70.2 -33.11 71.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.692 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.506 HG21 ' HB3' ' A' ' 46' ' ' LYS . 35.2 mm -59.75 -18.77 15.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.734 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 26.6 mmmt -73.99 -65.01 0.89 Allowed 'General case' 0 CA--C 1.513 -0.463 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 179.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -57.6 -17.17 12.93 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 178.001 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.67 ' O ' ' HB2' ' A' ' 68' ' ' ALA . 5.0 tt -86.28 -35.34 19.99 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.453 179.767 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.4 ' HG3' ' HB2' ' A' ' 42' ' ' PHE . 11.4 tmm? -87.79 -57.9 2.77 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.204 -179.536 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -48.95 -36.77 18.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.315 -179.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -92.86 -12.53 30.8 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.549 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.957 ' HB1' HD12 ' A' ' 76' ' ' ILE . . . -59.89 -57.85 11.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.753 -179.723 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.66 ' HB3' ' HA ' ' A' ' 76' ' ' ILE . 12.5 p-10 -105.56 129.27 53.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.285 0.564 . . . . 0.0 111.233 -179.455 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.685 ' O ' HD13 ' A' ' 70' ' ' ILE . 0.2 OUTLIER -83.61 -12.73 11.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.062 179.624 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -69.0 -11.24 60.6 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.925 -1.034 . . . . 0.0 110.478 179.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.626 ' HD3' ' O ' ' A' ' 70' ' ' ILE . 0.5 OUTLIER 43.08 30.24 0.25 Allowed 'General case' 0 CA--C 1.522 -0.126 0 CA-C-O 121.117 0.484 . . . . 0.0 111.396 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 93.0 p -93.49 -0.39 56.4 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.925 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 87.26 -7.88 78.99 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.503 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.562 ' HB ' ' HB ' ' A' ' 39' ' ' THR . 73.5 p -124.0 131.24 53.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.843 0.354 . . . . 0.0 110.887 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.957 HD12 ' HB1' ' A' ' 68' ' ' ALA . 9.3 tt -90.37 148.62 4.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.481 -179.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -131.07 149.37 52.64 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.516 -0.766 . . . . 0.0 109.551 179.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -51.47 -41.0 60.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.752 0.31 . . . . 0.0 111.56 -179.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -72.57 -26.13 72.45 Favored Glycine 0 CA--C 1.517 0.178 0 C-N-CA 120.964 -0.636 . . . . 0.0 113.116 -179.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.427 ' OE1' ' HB2' ' A' ' 69' ' ' ASP . 94.5 mt-10 -88.12 -23.03 23.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.911 0.386 . . . . 0.0 111.075 -179.757 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -66.19 -33.61 76.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.9 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 13.7 tt . . . . . 0 C--N 1.331 -0.212 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.057 -179.998 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.549 ' C ' HD13 ' A' ' 25' ' ' LEU . 2.4 tm? . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.751 0.31 . . . . 0.0 111.625 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.95 ' HA ' ' HE3' ' A' ' 30' ' ' LYS . 6.5 ttpm? -76.41 -30.73 57.57 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -178.201 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -89.01 -68.94 0.74 Allowed 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 -177.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.833 ' H ' HD23 ' A' ' 28' ' ' LEU . 0.8 OUTLIER -90.73 -56.47 3.17 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 114.511 1.3 . . . . 0.0 114.511 -177.427 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.545 ' HB2' ' HA ' ' A' ' 25' ' ' LEU . 0.9 OUTLIER -37.36 -65.25 0.32 Allowed 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 -176.833 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.95 ' HE3' ' HA ' ' A' ' 26' ' ' LYS . 10.4 mtmp? -53.42 -44.36 68.73 Favored 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 111.738 0.273 . . . . 0.0 111.738 -179.262 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 44.5 tpp -56.29 -21.57 24.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.807 0.337 . . . . 0.0 111.111 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 48.9 mm -93.5 -59.01 3.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.244 0.545 . . . . 0.0 110.43 179.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.518 ' OD2' ' HB3' ' A' ' 35' ' ' ASP . 30.8 t70 -57.6 111.35 1.09 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.201 -0.908 . . . . 0.0 110.794 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 60.8 m -61.99 -9.85 8.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.09 0.471 . . . . 0.0 110.134 179.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.518 ' HB3' ' OD2' ' A' ' 33' ' ' ASP . 53.6 t0 -94.31 -23.06 17.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.644 -179.619 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.6 m120 54.67 15.23 1.02 Allowed 'General case' 0 C--O 1.231 0.092 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.112 -179.229 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 81.0 p -80.9 -21.28 40.72 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-O 121.201 0.524 . . . . 0.0 110.007 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.463 ' HA2' HD21 ' A' ' 25' ' ' LEU . . . 109.33 10.73 23.28 Favored Glycine 0 N--CA 1.452 -0.284 0 CA-C-N 115.341 -0.845 . . . . 0.0 112.138 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 52.5 p -151.35 134.54 15.98 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.569 ' HB ' HG23 ' A' ' 76' ' ' ILE . 80.7 mt -103.75 149.3 7.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.743 0.306 . . . . 0.0 111.001 -179.741 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.786 HG22 HG22 ' A' ' 75' ' ' THR . 82.0 p -136.4 141.57 43.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.241 179.496 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.503 ' CZ ' ' HB3' ' A' ' 62' ' ' LYS . 26.0 t80 -38.5 -35.01 0.16 Allowed 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -58.53 -50.2 74.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.007 0.432 . . . . 0.0 110.428 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.484 ' OE1' ' HB2' ' A' ' 35' ' ' ASP . 13.0 pt-20 -86.81 -17.14 34.15 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.628 179.404 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.588 HD22 ' HB3' ' A' ' 65' ' ' MET . 20.9 tp -59.69 -61.37 2.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.844 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.726 ' HB3' HG21 ' A' ' 61' ' ' ILE . 22.1 pttp -57.33 -39.87 76.79 Favored 'General case' 0 C--O 1.224 -0.248 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.402 -179.706 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 54.5 t0 -51.14 -16.35 0.47 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.843 0.354 . . . . 0.0 111.356 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -75.38 -54.76 5.41 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.721 -0.752 . . . . 0.0 111.925 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.532 HD22 ' N ' ' A' ' 49' ' ' LEU . 2.8 mm? -87.25 -13.0 45.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.878 0.37 . . . . 0.0 110.093 179.4 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -77.86 -43.15 31.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.882 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.2 tpp85 -49.76 -35.32 21.93 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.184 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 34.2 m -87.7 -29.99 5.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.228 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 49.08 48.71 31.36 Favored Glycine 0 C--N 1.332 0.354 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.91 179.501 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 42.1 t -86.33 -95.78 0.08 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.699 0.285 . . . . 0.0 110.835 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -135.88 66.61 1.5 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.073 0.463 . . . . 0.0 110.249 179.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.672 HD13 ' H ' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -106.13 177.69 4.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.566 -179.515 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.531 ' O ' HG13 ' A' ' 61' ' ' ILE . 73.0 mtp -125.3 108.02 11.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.223 179.496 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.549 ' HA ' HD12 ' A' ' 61' ' ' ILE . 88.8 tt0 -56.34 -14.72 3.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.154 0.502 . . . . 0.0 109.975 179.453 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 45.2 t -87.63 -41.13 13.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.86 179.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.519 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 44.5 tt0 -67.45 -34.12 76.55 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.557 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.726 HG21 ' HB3' ' A' ' 46' ' ' LYS . 59.0 mt -52.88 -51.66 35.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.503 ' HB3' ' CZ ' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -79.67 -33.58 41.08 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.897 -179.89 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.411 ' N ' ' HD3' ' A' ' 62' ' ' LYS . 85.8 m-20 -68.23 -17.86 64.42 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.057 0.456 . . . . 0.0 110.336 179.041 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.519 ' HB2' ' O ' ' A' ' 60' ' ' GLU . 1.1 tm? -85.51 -53.46 5.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.441 -179.607 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.588 ' HB3' HD22 ' A' ' 45' ' ' LEU . 4.2 ppp? -66.97 -26.02 66.61 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.247 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -62.78 -36.05 81.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.105 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -92.64 -28.7 16.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.417 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -74.75 -4.9 40.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.131 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -126.68 103.72 7.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.554 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 80.9 mt -83.6 -24.98 7.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.596 -179.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.563 ' C ' ' HD3' ' A' ' 72' ' ' LYS . 59.6 m-20 -71.47 6.62 1.73 Allowed 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 111.729 0.27 . . . . 0.0 111.729 -179.634 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.563 ' HD3' ' C ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER 32.36 43.29 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 122.755 0.422 . . . . 0.0 111.716 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 80.4 p -104.59 -3.33 23.96 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.841 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 82.65 0.72 90.27 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.594 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.786 HG22 HG22 ' A' ' 41' ' ' THR . 70.1 p -125.11 126.17 44.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.705 0.288 . . . . 0.0 110.637 179.715 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.569 HG23 ' HB ' ' A' ' 40' ' ' ILE . 6.3 tt -93.22 122.67 44.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.998 0.428 . . . . 0.0 111.603 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.426 ' HA ' ' HZ ' ' A' ' 29' ' ' PHE . 10.3 p-10 -121.01 163.1 18.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.659 179.401 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.548 ' HE2' HD23 ' A' ' 25' ' ' LEU . 0.1 OUTLIER -57.01 -13.7 2.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.485 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -79.91 -30.67 42.22 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.372 179.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.523 ' OE1' ' HA ' ' A' ' 76' ' ' ILE . 46.7 mt-10 -86.42 -54.97 4.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.719 0.295 . . . . 0.0 110.628 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -38.13 -39.8 0.44 Allowed 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.73 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 78' ' ' TYR . 75.1 mt . . . . . 0 C--N 1.331 -0.234 0 CA-C-O 120.816 0.341 . . . . 0.0 110.864 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.709 HD23 ' O ' ' A' ' 25' ' ' LEU . 10.5 tt . . . . . 0 CA--C 1.528 0.134 0 N-CA-C 111.731 0.271 . . . . 0.0 111.731 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.566 ' HB3' ' NZ ' ' A' ' 26' ' ' LYS . 8.5 mtpm? -89.03 -68.12 0.79 Allowed 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -179.157 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -89.64 -68.26 0.79 Allowed 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 114.409 1.263 . . . . 0.0 114.409 -177.339 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.476 ' O ' HG13 ' A' ' 32' ' ' ILE . 95.3 mt -69.4 -68.21 0.42 Allowed 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 114.48 1.289 . . . . 0.0 114.48 -176.239 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.653 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 13.7 t80 -36.89 -46.18 0.61 Allowed 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 -176.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.515 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 59.1 mtpt -62.66 -50.81 69.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.973 0.416 . . . . 0.0 111.02 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 54.3 ttp -64.69 -14.45 58.49 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.181 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.476 HG13 ' O ' ' A' ' 28' ' ' LEU . 67.3 mt -92.9 -59.01 3.25 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.314 0 CA-C-O 121.232 0.539 . . . . 0.0 110.459 -179.602 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.612 ' HA ' HG13 ' A' ' 40' ' ' ILE . 8.2 t0 -62.05 98.56 0.11 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.96 179.645 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 82.3 m -58.68 -10.24 2.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.437 0.637 . . . . 0.0 109.305 179.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.662 ' OD1' ' HB3' ' A' ' 37' ' ' SER . 10.5 t0 -108.78 -19.43 13.42 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.064 -0.971 . . . . 0.0 111.408 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 74.6 m-80 52.17 15.17 0.41 Allowed 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 120.806 -0.358 . . . . 0.0 111.095 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.662 ' HB3' ' OD1' ' A' ' 35' ' ' ASP . 98.2 p -74.42 -17.92 60.73 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-O 121.493 0.663 . . . . 0.0 109.412 179.651 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.515 ' HA2' ' HE2' ' A' ' 29' ' ' PHE . . . 111.63 4.69 26.44 Favored Glycine 0 N--CA 1.452 -0.282 0 CA-C-N 114.904 -1.043 . . . . 0.0 113.009 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 61.1 p -147.65 131.6 17.17 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.381 -0.229 . . . . 0.0 110.381 179.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.612 HG13 ' HA ' ' A' ' 33' ' ' ASP . 2.5 mp -104.38 133.35 48.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.828 0.347 . . . . 0.0 111.631 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.546 HG22 ' OG1' ' A' ' 75' ' ' THR . 52.8 p -127.96 140.59 51.9 Favored 'General case' 0 C--O 1.218 -0.564 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 178.564 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -34.52 -49.13 0.39 Allowed 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 123.099 0.56 . . . . 0.0 112.177 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -56.39 -43.46 79.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.012 0.434 . . . . 0.0 110.518 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.454 ' HG3' ' OG1' ' A' ' 41' ' ' THR . 25.7 mt-10 -85.26 -20.08 30.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.05 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.584 HD13 HG21 ' A' ' 40' ' ' ILE . 55.3 tp -67.41 -65.23 0.71 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.665 -178.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.686 ' HB3' HG21 ' A' ' 61' ' ' ILE . 14.7 ptmm? -56.55 -33.32 66.01 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.349 -179.327 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.68 ' HA ' ' HG2' ' A' ' 50' ' ' LYS . 50.2 t0 -58.45 -15.5 11.15 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.041 0.448 . . . . 0.0 110.903 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.527 ' O ' HG23 ' A' ' 52' ' ' VAL . . . -91.29 -39.38 5.69 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.973 -0.632 . . . . 0.0 112.101 -179.621 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.524 HD13 HD13 ' A' ' 56' ' ' LEU . 91.5 mt -90.46 -13.45 34.78 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.879 0.371 . . . . 0.0 110.529 179.64 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.68 ' HG2' ' HA ' ' A' ' 47' ' ' ASP . 19.9 ptmt -86.51 -43.33 12.83 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.072 179.686 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.515 ' HA ' ' NE ' ' A' ' 51' ' ' ARG . 6.2 tpm_? -61.09 -15.69 35.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.191 179.407 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 48' ' ' GLY . 94.0 t -77.53 -31.67 17.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.036 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 52.45 48.2 55.29 Favored Glycine 0 C--N 1.33 0.237 0 C-N-CA 120.99 -0.624 . . . . 0.0 112.912 179.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 42.7 p -93.24 -96.85 0.14 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.718 0.259 . . . . 0.0 110.944 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -144.93 22.31 1.58 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.997 0.427 . . . . 0.0 110.662 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.524 HD13 HD13 ' A' ' 49' ' ' LEU . 93.1 mt -91.64 147.93 22.64 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 121.366 0.603 . . . . 0.0 112.027 -179.55 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.411 ' C ' ' H ' ' A' ' 59' ' ' SER . 50.6 ttm -111.89 137.07 50.37 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.001 -1.0 . . . . 0.0 109.477 179.023 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -53.29 -10.5 0.22 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.734 -179.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.411 ' H ' ' C ' ' A' ' 57' ' ' MET . 80.9 p -76.47 -31.41 57.76 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.345 -179.344 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.422 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 50.3 mt-10 -74.83 -23.69 58.49 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.693 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.686 HG21 ' HB3' ' A' ' 46' ' ' LYS . 37.9 mm -64.16 -20.27 26.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.968 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.612 ' HB3' ' NZ ' ' A' ' 62' ' ' LYS . 0.1 OUTLIER -73.2 -65.12 0.85 Allowed 'General case' 0 CA--C 1.513 -0.474 0 CA-C-N 116.152 -0.477 . . . . 0.0 109.765 179.479 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -57.31 -17.19 11.01 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 178.076 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.422 ' HB2' ' O ' ' A' ' 60' ' ' GLU . 36.4 tp -81.0 -42.82 20.56 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.019 -0.991 . . . . 0.0 110.794 179.633 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.483 ' HB2' ' CD2' ' A' ' 45' ' ' LEU . 11.7 tmm? -88.28 -60.65 1.91 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.157 -179.552 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -44.42 -27.83 0.49 Allowed 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.102 -0.499 . . . . 0.0 112.086 -179.245 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -89.17 -44.47 10.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.681 0.277 . . . . 0.0 111.554 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.87 -28.17 69.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.409 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.66 ' HB2' ' HB ' ' A' ' 76' ' ' ILE . 8.1 t70 -126.39 96.75 4.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.21 0.528 . . . . 0.0 110.864 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.509 ' O ' ' HG3' ' A' ' 72' ' ' LYS . 64.4 mt -84.09 -10.32 11.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.606 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -58.81 -9.11 1.59 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.005 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.509 ' HG3' ' O ' ' A' ' 70' ' ' ILE . 41.4 mttp 66.66 0.67 1.92 Allowed 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.944 179.723 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 79.8 p -80.03 -8.19 59.24 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.222 -179.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 78.24 -8.46 39.14 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.644 -0.789 . . . . 0.0 111.877 -179.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.546 ' OG1' HG22 ' A' ' 41' ' ' THR . 69.3 m -116.52 127.53 54.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.643 0.259 . . . . 0.0 110.407 179.741 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.66 ' HB ' ' HB2' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -97.72 135.62 31.53 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 CA-C-O 121.305 0.574 . . . . 0.0 111.639 -179.889 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.567 ' HB3' ' HG3' ' A' ' 80' ' ' GLU . 9.7 t70 -109.77 159.73 16.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 114.848 -1.069 . . . . 0.0 109.825 179.215 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.606 ' O ' HG22 ' A' ' 82' ' ' ILE . 34.2 m-85 -45.89 -50.62 14.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.802 0.334 . . . . 0.0 111.806 -179.357 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -72.62 -14.57 77.73 Favored Glycine 0 C--N 1.331 0.258 0 CA-C-N 115.944 -0.571 . . . . 0.0 114.098 -178.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.567 ' HG3' ' HB3' ' A' ' 77' ' ' ASP . 93.1 mt-10 -81.81 -53.12 6.44 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.034 0.445 . . . . 0.0 110.726 -179.678 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.528 ' HB2' HD11 ' A' ' 76' ' ' ILE . 32.5 t80 -59.41 -30.31 68.37 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.8 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.606 HG22 ' O ' ' A' ' 78' ' ' TYR . 12.5 tt . . . . . 0 CA--C 1.531 0.245 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -178.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.637 ' O ' HD13 ' A' ' 25' ' ' LEU . 3.3 tm? . . . . . 0 N--CA 1.464 0.257 0 CA-C-O 120.691 0.281 . . . . 0.0 111.437 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.442 ' O ' ' HG2' ' A' ' 30' ' ' LYS . 28.0 tptp -85.45 -67.98 0.76 Allowed 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 -179.041 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.486 ' O ' ' HB2' ' A' ' 31' ' ' MET . 48.6 mt-10 -89.92 -68.39 0.78 Allowed 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 114.141 1.163 . . . . 0.0 114.141 -177.608 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.405 ' O ' HG12 ' A' ' 32' ' ' ILE . 1.5 tm? -60.15 -68.33 0.3 Allowed 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 113.029 0.751 . . . . 0.0 113.029 -176.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.619 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 12.6 t80 -45.25 -45.43 11.92 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -177.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.486 ' HG3' ' N ' ' A' ' 31' ' ' MET . 0.1 OUTLIER -66.75 -43.22 84.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.941 0.4 . . . . 0.0 110.681 -179.397 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.486 ' HB2' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -63.3 -16.2 59.6 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.798 -179.635 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.405 HG12 ' O ' ' A' ' 28' ' ' LEU . 48.1 mm -92.75 -45.85 14.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.568 179.774 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.609 ' HB2' HD11 ' A' ' 40' ' ' ILE . 57.5 t0 -66.09 117.09 7.92 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.554 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 63.5 m -65.7 -10.45 36.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.401 0.619 . . . . 0.0 109.352 179.181 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 37' ' ' SER . 59.0 m-20 -111.92 -10.14 13.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.394 179.752 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 11.4 p-10 40.91 26.98 0.03 OUTLIER 'General case' 0 C--O 1.231 0.129 0 CA-C-O 121.069 0.461 . . . . 0.0 110.39 -179.297 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.418 ' N ' ' O ' ' A' ' 35' ' ' ASP . 77.2 p -86.27 -16.68 36.83 Favored 'General case' 0 CA--C 1.513 -0.466 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 179.467 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 109.21 13.36 17.75 Favored Glycine 0 N--CA 1.45 -0.39 0 CA-C-N 114.587 -1.188 . . . . 0.0 112.463 179.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.717 ' HB ' HG21 ' A' ' 75' ' ' THR . 43.6 p -147.62 131.47 17.07 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.675 0.274 . . . . 0.0 110.336 179.632 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.609 HD11 ' HB2' ' A' ' 33' ' ' ASP . 2.0 mp -108.02 146.75 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.874 0.368 . . . . 0.0 111.13 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.486 ' O ' ' N ' ' A' ' 45' ' ' LEU . 11.7 m -132.99 159.9 38.66 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.767 178.788 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -34.99 -60.64 0.45 Allowed 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 123.465 0.706 . . . . 0.0 112.505 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -52.29 -39.52 60.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.938 0.399 . . . . 0.0 111.08 -179.351 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -88.21 -14.19 39.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.096 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.486 ' N ' ' O ' ' A' ' 41' ' ' THR . 48.6 tp -71.61 -58.98 3.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.299 -179.225 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.456 ' HB3' HG21 ' A' ' 61' ' ' ILE . 21.7 ptmt -56.53 -28.05 59.06 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.307 -179.371 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.703 ' HA ' ' HB3' ' A' ' 50' ' ' LYS . 36.0 t70 -52.3 -16.91 0.95 Allowed 'General case' 0 C--N 1.332 -0.185 0 O-C-N 123.212 0.32 . . . . 0.0 111.175 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -69.75 -52.55 19.63 Favored Glycine 0 N--CA 1.45 -0.412 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.114 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 90.1 mt -90.25 -12.34 38.22 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 178.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.703 ' HB3' ' HA ' ' A' ' 47' ' ' ASP . 23.4 tptm -82.9 -25.48 32.42 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.487 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.418 HH11 ' HG3' ' A' ' 51' ' ' ARG . 39.0 ttt85 -73.1 -23.71 60.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.839 179.356 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 12.3 p -98.85 -29.22 3.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.945 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 53.84 48.81 60.79 Favored Glycine 0 C--N 1.332 0.358 0 C-N-CA 121.009 -0.615 . . . . 0.0 113.154 179.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 71.2 m -97.58 -104.98 0.18 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.757 0.278 . . . . 0.0 111.032 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -120.71 74.74 1.08 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.927 0.394 . . . . 0.0 110.735 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.841 HD23 ' H ' ' A' ' 56' ' ' LEU . 0.9 OUTLIER -108.73 166.26 10.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.294 179.804 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.421 ' O ' HG12 ' A' ' 61' ' ' ILE . 84.8 mmm -126.28 110.35 13.3 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.043 179.053 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -55.09 -15.25 2.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.557 0.694 . . . . 0.0 109.451 179.14 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.412 ' N ' ' C ' ' A' ' 57' ' ' MET . 78.5 p -87.86 -39.22 15.0 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 114.66 -1.155 . . . . 0.0 110.992 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 43.4 tp10 -66.19 -32.66 74.23 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.183 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.456 HG21 ' HB3' ' A' ' 46' ' ' LYS . 43.3 mm -55.52 -23.74 14.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.689 179.673 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.437 ' C ' ' N ' ' A' ' 64' ' ' LEU . 12.5 mmmm -73.24 -63.17 1.24 Allowed 'General case' 0 CA--C 1.513 -0.478 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 178.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.764 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 37.4 t70 -55.93 -16.9 5.35 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 177.369 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.437 ' N ' ' C ' ' A' ' 62' ' ' LYS . 33.5 tp -87.46 -32.94 19.22 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 114.668 -1.151 . . . . 0.0 110.643 179.549 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 9.0 tmm? -88.7 -69.58 0.7 Allowed 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 -178.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -70.67 -54.8 10.5 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -178.198 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.764 ' HB3' ' O ' ' A' ' 63' ' ' ASP . . . -50.7 -45.6 58.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.604 0.24 . . . . 0.0 111.583 -179.28 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.18 -62.22 1.67 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.871 0.367 . . . . 0.0 110.719 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.519 ' HA ' ' HB3' ' A' ' 80' ' ' GLU . 7.5 t70 -66.96 104.84 1.47 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.616 179.423 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 9.8 tp -83.52 -16.75 11.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.891 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -63.19 -5.83 3.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.352 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 41.26 26.71 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.423 -179.693 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 79.1 p -87.73 2.09 52.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.876 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 77.17 -11.61 15.66 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.687 -0.768 . . . . 0.0 111.799 -179.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.717 HG21 ' HB ' ' A' ' 39' ' ' THR . 69.8 m -117.66 134.33 55.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.685 0.279 . . . . 0.0 110.375 179.692 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.456 HG23 ' HB ' ' A' ' 40' ' ' ILE . 15.0 tt -99.03 131.05 47.0 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 CA-C-O 121.11 0.481 . . . . 0.0 111.211 -179.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.442 ' H ' ' CG ' ' A' ' 80' ' ' GLU . 10.3 t70 -117.98 157.93 25.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.028 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -52.57 -26.31 12.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.782 0.325 . . . . 0.0 111.012 -179.438 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -77.77 -30.97 51.03 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.936 -0.65 . . . . 0.0 112.753 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.519 ' HB3' ' HA ' ' A' ' 69' ' ' ASP . 67.1 mm-40 -56.83 -47.77 79.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.65 0.262 . . . . 0.0 110.671 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -43.4 -41.41 4.18 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.723 179.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 47.6 mm . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.197 -179.768 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.448 ' HA ' ' HB2' ' A' ' 29' ' ' PHE . 4.5 mm? . . . . . 0 N--CA 1.465 0.321 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -90.2 -69.65 0.71 Allowed 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.803 -0.359 . . . . 0.0 111.927 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.716 ' HG3' ' H ' ' A' ' 28' ' ' LEU . 7.4 pt-20 -91.64 -67.52 0.85 Allowed 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 113.356 0.873 . . . . 0.0 113.356 -179.144 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.716 ' H ' ' HG3' ' A' ' 27' ' ' GLU . 58.1 tp -46.09 -45.78 16.54 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 113.361 0.874 . . . . 0.0 113.361 -177.57 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.531 ' CZ ' ' HB2' ' A' ' 78' ' ' TYR . 2.4 m-85 -76.52 -65.6 0.91 Allowed 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -178.264 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.557 ' HA ' ' OD1' ' A' ' 36' ' ' ASN . 14.1 mmmm -43.47 -33.13 1.02 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.463 -179.193 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -90.56 -35.06 15.26 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -179.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.565 ' HB ' ' O ' ' A' ' 28' ' ' LEU . 24.0 mm -94.92 -65.6 1.11 Allowed 'Isoleucine or valine' 0 CA--C 1.511 -0.542 0 CA-C-O 121.263 0.554 . . . . 0.0 110.788 -179.781 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.628 ' HB2' HD11 ' A' ' 40' ' ' ILE . 31.2 t70 -53.2 94.76 0.01 OUTLIER 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.048 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 65.3 m -58.76 -10.37 2.32 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.557 0.694 . . . . 0.0 109.246 179.622 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.519 ' OD1' ' HB3' ' A' ' 37' ' ' SER . 10.4 t0 -95.86 -24.9 16.23 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.882 179.733 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.557 ' OD1' ' HA ' ' A' ' 30' ' ' LYS . 51.5 m-20 49.85 20.95 0.61 Allowed 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.602 -179.645 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.519 ' HB3' ' OD1' ' A' ' 35' ' ' ASP . 79.1 p -88.53 -19.53 26.26 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 121.154 0.502 . . . . 0.0 110.314 -179.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.458 ' HA2' ' HD2' ' A' ' 29' ' ' PHE . . . 111.53 5.16 26.33 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.46 -0.876 . . . . 0.0 113.058 179.66 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 76.0 p -142.82 130.64 21.57 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 179.228 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.628 HD11 ' HB2' ' A' ' 33' ' ' ASP . 2.0 mp -104.97 139.79 24.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.946 0.403 . . . . 0.0 111.649 -179.516 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.549 ' O ' ' HG2' ' A' ' 44' ' ' GLU . 67.2 p -129.08 144.02 51.06 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.958 178.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.702 ' HB2' ' HG3' ' A' ' 65' ' ' MET . 17.4 t80 -34.74 -47.88 0.36 Allowed 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -179.516 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -50.61 -48.72 57.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.9 0.381 . . . . 0.0 110.877 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.549 ' HG2' ' O ' ' A' ' 41' ' ' THR . 9.7 pt-20 -89.43 -16.08 31.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.566 -179.739 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.443 HD13 HG21 ' A' ' 40' ' ' ILE . 44.2 tp -62.56 -45.27 93.71 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.764 0.316 . . . . 0.0 110.925 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.768 ' HG2' HG21 ' A' ' 61' ' ' ILE . 52.7 mtmt -47.27 -53.77 12.59 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.967 -179.672 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.649 ' HA ' ' HB3' ' A' ' 50' ' ' LYS . 28.9 m-20 -42.17 -23.57 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.331 0 O-C-N 123.352 0.408 . . . . 0.0 112.067 -179.306 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.2 -55.99 18.29 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.615 -0.802 . . . . 0.0 111.615 179.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.51 HD22 ' N ' ' A' ' 49' ' ' LEU . 3.1 mm? -90.42 -12.4 37.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.116 0.484 . . . . 0.0 110.13 179.181 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.649 ' HB3' ' HA ' ' A' ' 47' ' ' ASP . 4.3 tmmm? -68.6 -46.3 69.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.65 -179.773 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.62 ' HG2' ' O ' ' A' ' 47' ' ' ASP . 36.3 mmt180 -41.54 -42.05 2.3 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.969 -179.602 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 35.9 m -89.86 -31.62 5.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 111.618 0.229 . . . . 0.0 111.618 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 38.76 48.41 2.44 Favored Glycine 0 C--N 1.335 0.514 0 C-N-CA 121.201 -0.523 . . . . 0.0 113.015 179.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 48.0 t -65.9 -91.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.747 0.308 . . . . 0.0 111.153 -179.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.461 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 39.0 tp10 -136.96 17.84 3.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.158 0.504 . . . . 0.0 110.208 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.509 ' N ' HD12 ' A' ' 56' ' ' LEU . 5.7 mp -81.53 124.84 29.83 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.521 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 16.0 tpt -79.88 151.34 30.23 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.263 -0.88 . . . . 0.0 109.597 179.098 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.436 ' OE1' ' N ' ' A' ' 58' ' ' GLU . 0.4 OUTLIER -56.8 -10.43 1.05 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.587 -179.641 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 49.1 m -78.16 -22.77 48.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.858 0.361 . . . . 0.0 111.075 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.464 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 16.8 tp10 -78.06 -16.71 57.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.916 179.729 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.768 HG21 ' HG2' ' A' ' 46' ' ' LYS . 26.3 mm -90.59 -46.12 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.761 -179.428 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.63 ' HD3' ' N ' ' A' ' 63' ' ' ASP . 0.0 OUTLIER -77.23 -44.71 29.0 Favored 'General case' 0 C--N 1.333 -0.116 0 N-CA-C 111.711 0.263 . . . . 0.0 111.711 -178.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.63 ' N ' ' HD3' ' A' ' 62' ' ' LYS . 33.9 t70 -62.84 -28.66 70.17 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-O 121.045 0.45 . . . . 0.0 110.283 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.464 ' HB2' ' O ' ' A' ' 60' ' ' GLU . 4.5 mm? -87.19 -25.62 23.96 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.779 179.568 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.702 ' HG3' ' HB2' ' A' ' 42' ' ' PHE . 14.7 tmm? -67.66 -46.4 72.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.533 179.498 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -79.37 -21.24 46.03 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.184 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -82.01 -27.41 33.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.324 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.486 ' HB1' HD12 ' A' ' 76' ' ' ILE . . . -77.05 -56.25 4.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.171 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.43 ' HB2' ' HB ' ' A' ' 76' ' ' ILE . 25.1 t70 -86.31 111.54 20.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.049 0.452 . . . . 0.0 110.795 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.511 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 9.4 tp -83.64 -19.25 9.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.275 -179.554 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -62.53 -5.55 2.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.193 -179.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.511 ' HG2' ' O ' ' A' ' 70' ' ' ILE . 33.8 mmtp 46.87 31.23 1.41 Allowed 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.568 179.302 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 77.8 p -100.74 3.12 41.97 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.176 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 78.99 -15.98 9.47 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.306 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.454 HG22 HG22 ' A' ' 41' ' ' THR . 80.7 p -113.62 128.18 56.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.651 0.262 . . . . 0.0 110.54 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.544 HD11 ' HB2' ' A' ' 81' ' ' PHE . 9.7 tt -99.98 140.04 20.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.316 0 CA-C-O 120.884 0.374 . . . . 0.0 111.346 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -115.0 152.91 31.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.681 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.531 ' HB2' ' CZ ' ' A' ' 29' ' ' PHE . 31.6 t80 -54.05 -35.97 62.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.39 -179.683 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -70.31 -25.04 76.23 Favored Glycine 0 CA--C 1.519 0.296 0 C-N-CA 120.954 -0.641 . . . . 0.0 113.54 -179.108 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -88.45 -46.47 9.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 117.005 0.403 . . . . 0.0 111.147 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.544 ' HB2' HD11 ' A' ' 76' ' ' ILE . 28.5 t80 -46.69 -38.88 10.48 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.442 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 72.2 mt . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.238 -179.928 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 15.9 m80 . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.846 0.355 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.1 p -161.52 179.23 8.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.979 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.0 p -148.35 11.82 0.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.814 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.74 -8.57 60.62 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.579 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 12.6 m80 -125.16 -35.98 2.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.909 0.385 . . . . 0.0 110.782 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 62.2 mt -91.24 91.89 3.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.749 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -162.43 -74.34 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.795 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -100.42 148.61 24.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.693 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.552 ' O ' ' HG3' ' A' ' 13' ' ' MET . 30.7 m-20 -61.53 -18.29 58.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.99 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 63.4 t0 -59.16 -37.82 78.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.83 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -84.64 -18.7 34.58 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.602 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -80.08 -18.77 49.09 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.149 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.552 ' HG3' ' O ' ' A' ' 9' ' ' ASP . 67.1 mtt -74.53 -26.18 59.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.949 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -95.48 -2.82 47.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.376 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -126.2 26.47 6.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.082 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.515 ' NE ' ' HA ' ' A' ' 13' ' ' MET . 14.9 ptp180 -103.41 -10.83 18.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.147 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.811 HD23 ' H ' ' A' ' 17' ' ' LEU . 2.5 pt? -101.76 150.8 22.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.892 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 76.3 p -90.13 108.37 19.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -81.6 -51.97 7.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.044 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.491 ' HG3' ' OE1' ' A' ' 21' ' ' GLU . 4.7 pt-20 -89.97 -63.16 1.32 Allowed 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.755 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.491 ' OE1' ' HG3' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -176.03 -0.43 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.699 0.285 . . . . 0.0 110.851 179.397 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.65 ' O ' HD13 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -47.67 -27.2 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.95 -179.362 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -53.14 -65.93 3.06 Favored Glycine 0 C--N 1.331 0.254 0 C-N-CA 120.587 -0.816 . . . . 0.0 113.109 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -95.87 -7.41 58.74 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.526 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.578 ' HA ' ' HB3' ' A' ' 29' ' ' PHE . 58.3 tp -45.62 -22.52 0.17 Allowed 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -179.355 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.46 ' O ' ' HD3' ' A' ' 30' ' ' LYS . 54.8 mtmt -90.75 -65.94 0.97 Allowed 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -178.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -88.8 -68.38 0.77 Allowed 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 -177.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.43 ' O ' HG13 ' A' ' 32' ' ' ILE . 93.5 mt -66.02 -68.13 0.39 Allowed 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 113.809 1.041 . . . . 0.0 113.809 -176.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.578 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 3.4 t80 -37.93 -50.16 1.28 Allowed 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -177.624 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.517 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 29.1 mtpp -62.76 -45.68 91.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.927 0.394 . . . . 0.0 110.928 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 52.6 ttm -64.48 -15.21 60.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.361 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.43 HG13 ' O ' ' A' ' 28' ' ' LEU . 66.1 mt -92.74 -47.79 13.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.06 0.457 . . . . 0.0 110.725 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.636 ' HA ' HG12 ' A' ' 40' ' ' ILE . 57.6 t0 -64.78 112.17 3.12 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.584 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 64.6 m -61.82 -10.53 9.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.41 0.624 . . . . 0.0 109.382 179.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.501 ' OD1' ' HB3' ' A' ' 37' ' ' SER . 10.1 t0 -96.65 -24.95 15.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.705 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 55.89 18.8 3.2 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-O 120.863 0.363 . . . . 0.0 110.238 -179.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.501 ' HB3' ' OD1' ' A' ' 35' ' ' ASP . 79.9 p -88.73 -20.35 24.91 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-O 121.153 0.501 . . . . 0.0 110.106 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 111.39 12.98 13.88 Favored Glycine 0 N--CA 1.451 -0.317 0 CA-C-N 115.437 -0.802 . . . . 0.0 112.593 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.579 ' HB ' HG21 ' A' ' 75' ' ' THR . 63.9 p -150.91 130.72 13.23 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 179.415 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.636 HG12 ' HA ' ' A' ' 33' ' ' ASP . 89.8 mt -105.62 139.99 25.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.775 0.322 . . . . 0.0 111.11 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.416 ' O ' ' N ' ' A' ' 44' ' ' GLU . 82.3 p -129.28 143.11 50.72 Favored 'General case' 0 C--O 1.221 -0.406 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.069 179.211 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.737 ' HB2' ' HG2' ' A' ' 65' ' ' MET . 21.8 t80 -35.55 -53.51 0.68 Allowed 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 123.05 0.54 . . . . 0.0 112.239 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -47.09 -40.22 14.79 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.149 0.499 . . . . 0.0 110.414 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.497 ' OE2' ' HB2' ' A' ' 35' ' ' ASP . 41.0 mt-10 -87.13 -30.88 20.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.766 179.54 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.554 HD22 ' SD ' ' A' ' 65' ' ' MET . 56.1 tp -51.94 -57.12 10.37 Favored 'General case' 0 N--CA 1.457 -0.105 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.123 -179.428 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.499 ' CA ' HG21 ' A' ' 61' ' ' ILE . 8.4 ptpp? -51.55 -42.77 62.06 Favored 'General case' 0 C--O 1.225 -0.219 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.421 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -49.62 -16.75 0.25 Allowed 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.423 ' O ' HG23 ' A' ' 52' ' ' VAL . . . -74.16 -57.9 4.56 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.086 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.502 HD22 ' N ' ' A' ' 49' ' ' LEU . 3.1 mm? -87.62 -12.84 44.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.897 0.38 . . . . 0.0 110.499 179.55 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.417 ' HD3' ' OE2' ' A' ' 58' ' ' GLU . 22.9 tptm -70.36 -53.79 15.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.525 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 39.1 ttm180 -59.95 -17.73 40.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.564 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 48' ' ' GLY . 62.4 t -70.04 -31.74 48.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.813 179.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 44.45 48.36 8.62 Favored Glycine 0 C--N 1.332 0.348 0 CA-C-N 116.021 -0.536 . . . . 0.0 113.194 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 37.9 t -91.28 -95.63 0.12 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.696 0.284 . . . . 0.0 110.836 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.95 23.67 1.08 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.954 0.406 . . . . 0.0 110.356 179.638 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 71.0 mt -90.9 160.05 15.9 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.772 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 20.0 ptm -117.18 125.93 51.98 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.168 179.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.495 ' HA ' HG12 ' A' ' 61' ' ' ILE . 4.9 mm-40 -54.56 -9.6 0.33 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.62 -179.64 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.473 ' O ' ' HG3' ' A' ' 62' ' ' LYS . 53.5 m -69.8 -26.82 64.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.829 -179.66 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.461 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 51.1 mt-10 -83.86 -21.32 32.04 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.278 179.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.499 HG21 ' CA ' ' A' ' 46' ' ' LYS . 39.8 mm -66.98 -30.43 49.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.008 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.699 ' NZ ' ' HB2' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -85.29 -36.33 20.92 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.696 179.906 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.549 ' N ' ' HD3' ' A' ' 62' ' ' LYS . 58.8 m-20 -73.91 -23.24 59.52 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.181 0.515 . . . . 0.0 109.722 178.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.56 ' O ' HD23 ' A' ' 64' ' ' LEU . 4.9 tt -87.12 -39.14 15.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.615 179.475 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.737 ' HG2' ' HB2' ' A' ' 42' ' ' PHE . 14.6 tpt -63.2 -45.11 93.26 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.946 179.523 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -65.79 -42.6 90.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.13 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.78 -30.75 67.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.278 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.73 -62.63 1.32 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.111 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -88.96 98.48 11.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.122 0.486 . . . . 0.0 110.413 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.516 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 14.3 tt -83.94 -14.79 11.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.846 -179.631 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.502 ' OD2' ' HB3' ' A' ' 73' ' ' SER . 36.6 t70 -64.17 -5.81 5.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.6 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.516 ' HG2' ' O ' ' A' ' 70' ' ' ILE . 31.0 mmmt 44.25 29.05 0.33 Allowed 'General case' 0 C--O 1.232 0.151 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.558 179.433 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.502 ' HB3' ' OD2' ' A' ' 71' ' ' ASP . 84.5 p -85.11 -3.67 58.88 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.717 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 85.02 -11.69 59.66 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.718 -0.753 . . . . 0.0 111.675 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.579 HG21 ' HB ' ' A' ' 39' ' ' THR . 86.3 m -129.62 127.82 41.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.788 0.328 . . . . 0.0 110.367 179.712 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.534 HG23 ' HB ' ' A' ' 40' ' ' ILE . 9.1 tt -90.3 140.25 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.734 -179.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.844 ' HB2' ' HG2' ' A' ' 80' ' ' GLU . 54.1 m-20 -121.87 163.27 19.51 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.002 179.111 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.402 ' HB3' ' HB2' ' A' ' 21' ' ' GLU . 19.0 t80 -61.26 -30.03 70.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.846 0.355 . . . . 0.0 110.784 -179.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -84.25 -14.09 72.41 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 121.029 -0.605 . . . . 0.0 112.772 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.844 ' HG2' ' HB2' ' A' ' 77' ' ' ASP . 3.9 mm-40 -86.18 -31.07 21.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.91 0.386 . . . . 0.0 110.867 -179.411 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -79.56 -37.52 36.24 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.2 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.61 HD12 ' N ' ' A' ' 83' ' ' ALA . 2.7 pp -68.93 -18.21 22.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.516 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.61 ' N ' HD12 ' A' ' 82' ' ' ILE . . . -51.1 -20.08 1.34 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.66 -179.678 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.47 108.67 0.45 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.842 0.353 . . . . 0.0 111.216 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.852 HG22 HG23 ' A' ' 86' ' ' VAL . 90.6 m -124.85 151.39 45.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.587 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.852 HG23 HG22 ' A' ' 85' ' ' THR . 48.2 t 56.91 84.7 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 78.7 t60 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.285 -0.864 . . . . 0.0 110.937 -179.862 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 21.6 p-80 . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.783 0.325 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.5 m -90.36 164.67 14.24 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.946 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.2 m -86.68 -1.74 57.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.977 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.44 -3.11 32.72 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.582 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -109.94 -60.51 1.78 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.757 0.313 . . . . 0.0 111.019 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 49.6 mm -76.11 89.27 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.914 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -136.02 -71.14 0.46 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.835 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -93.63 -104.16 0.13 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -171.8 20.22 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.748 0.309 . . . . 0.0 110.83 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -95.98 -26.45 15.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.948 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -87.35 -19.0 28.79 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.864 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 77.0 t60 -83.28 -15.69 49.24 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.761 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 63.5 mtt -58.71 -28.33 65.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.101 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.17 -21.21 64.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.011 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -85.45 -21.8 28.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.011 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -72.12 -108.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.83 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.544 ' O ' HD12 ' A' ' 17' ' ' LEU . 3.3 pp -75.88 155.8 34.91 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-O 120.729 0.3 . . . . 0.0 110.815 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 77.9 p -78.75 85.95 4.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.156 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -80.59 -11.14 59.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.531 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -63.89 -18.23 63.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.815 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.645 ' HG3' ' H ' ' A' ' 23' ' ' GLY . 16.2 pt-20 -145.56 -173.0 4.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.862 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.496 ' O ' ' HB3' ' A' ' 26' ' ' LYS . 40.0 pt -56.93 -13.34 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.679 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.645 ' H ' ' HG3' ' A' ' 21' ' ' GLU . . . -38.56 -32.34 0.15 Allowed Glycine 0 CA--C 1.523 0.561 0 N-CA-C 114.459 0.544 . . . . 0.0 114.459 -179.191 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -95.63 -65.45 0.97 Allowed Glycine 0 CA--C 1.521 0.457 0 C-N-CA 120.322 -0.942 . . . . 0.0 114.129 -179.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.625 ' HG ' ' H ' ' A' ' 29' ' ' PHE . 26.8 tp -68.92 -6.99 30.77 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -178.357 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.542 ' HE2' ' O ' ' A' ' 23' ' ' GLY . 0.2 OUTLIER -38.93 -29.83 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 -178.756 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -60.46 -55.83 28.78 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.728 0.299 . . . . 0.0 111.078 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.501 ' N ' HD12 ' A' ' 28' ' ' LEU . 6.3 mp -89.58 -57.75 2.77 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -179.438 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.625 ' H ' ' HG ' ' A' ' 25' ' ' LEU . 11.5 t80 -39.57 -41.18 0.98 Allowed 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -178.567 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.401 ' CG ' ' N ' ' A' ' 31' ' ' MET . 14.9 pttp -69.9 -43.15 72.32 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.148 0.499 . . . . 0.0 110.886 -179.207 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.401 ' N ' ' CG ' ' A' ' 30' ' ' LYS . 56.1 ttp -68.27 -21.13 64.82 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.644 -179.05 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.825 HG23 HD11 ' A' ' 40' ' ' ILE . 11.3 tp -93.26 -25.95 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.134 0.493 . . . . 0.0 110.256 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -71.81 118.33 14.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.339 179.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.678 ' HB ' ' HB2' ' A' ' 44' ' ' GLU . 91.2 m -57.78 -15.18 7.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.001 0.429 . . . . 0.0 110.34 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.407 ' HB2' ' OE1' ' A' ' 44' ' ' GLU . 55.0 t0 -104.49 -22.63 13.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.049 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 46.1 t30 55.7 15.94 1.78 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.066 0.46 . . . . 0.0 109.942 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 79.3 p -83.5 -18.61 37.89 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.059 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 111.25 10.38 20.26 Favored Glycine 0 N--CA 1.453 -0.227 0 CA-C-N 115.43 -0.805 . . . . 0.0 112.588 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 67.6 p -146.65 131.96 18.52 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.825 HD11 HG23 ' A' ' 32' ' ' ILE . 29.5 mt -104.92 131.67 53.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.846 0.355 . . . . 0.0 111.584 -179.564 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.748 HG22 ' HB ' ' A' ' 75' ' ' THR . 63.0 p -111.74 161.91 15.79 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.035 179.243 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.826 ' HB2' ' HG3' ' A' ' 65' ' ' MET . 15.9 t80 -64.92 -35.56 81.54 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.302 179.452 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -58.74 -45.5 89.52 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.874 179.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.678 ' HB2' ' HB ' ' A' ' 34' ' ' THR . 23.6 pt-20 -89.69 -17.74 27.77 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.673 179.528 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.648 HD23 ' HB2' ' A' ' 65' ' ' MET . 49.2 tp -61.44 -53.55 55.0 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.393 -179.222 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.452 ' HG3' ' N ' ' A' ' 47' ' ' ASP . 13.5 ptmm? -48.22 -52.69 19.88 Favored 'General case' 0 C--O 1.225 -0.21 0 CA-C-N 115.724 -0.671 . . . . 0.0 112.048 -179.303 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.452 ' N ' ' HG3' ' A' ' 46' ' ' LYS . 33.1 t70 -49.82 -16.04 0.23 Allowed 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -179.511 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -74.24 -54.78 6.03 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.001 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.578 ' HB3' HD22 ' A' ' 56' ' ' LEU . 2.9 mm? -89.73 -14.46 34.62 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.964 0.411 . . . . 0.0 110.125 179.395 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.432 ' HD3' ' NZ ' ' A' ' 46' ' ' LYS . 63.9 tttp -86.32 -23.29 26.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.137 -179.767 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.436 ' HB2' ' O ' ' A' ' 47' ' ' ASP . 37.0 ttm180 -44.83 -32.52 1.6 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.387 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 35.1 m -101.23 -31.45 3.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.346 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 51.69 48.39 50.24 Favored Glycine 0 C--N 1.332 0.313 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.586 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 49.1 m -68.97 -92.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.709 0.29 . . . . 0.0 111.354 -179.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.412 ' O ' ' HG2' ' A' ' 55' ' ' GLU . 41.3 tt0 -122.96 2.09 9.33 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.955 0.407 . . . . 0.0 110.961 -179.508 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.654 ' O ' HD12 ' A' ' 56' ' ' LEU . 3.3 pp -86.92 142.2 28.18 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-O 121.617 0.722 . . . . 0.0 111.871 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 51.4 tpp -106.53 152.24 23.94 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 114.763 -1.108 . . . . 0.0 109.795 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -53.83 -12.85 0.6 Allowed 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.199 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 79.0 p -69.45 -32.81 71.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.009 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.428 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 17.3 tp10 -67.77 -33.09 74.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.068 179.646 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 28.2 mm -62.11 -20.72 24.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.747 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 11.7 mmmm -75.2 -62.61 1.5 Allowed 'General case' 0 CA--C 1.514 -0.428 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 179.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.448 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 9.0 t70 -59.65 -17.32 32.95 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 177.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.428 ' HB2' ' O ' ' A' ' 60' ' ' GLU . 38.5 tp -82.8 -41.4 19.17 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.515 179.418 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.826 ' HG3' ' HB2' ' A' ' 42' ' ' PHE . 15.5 tmm? -88.49 -67.41 0.83 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.517 -179.388 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -42.29 -38.68 1.88 Allowed 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.842 -179.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' A' ' 63' ' ' ASP . . . -78.33 -41.04 34.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.468 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.772 ' HB1' HD12 ' A' ' 76' ' ' ILE . . . -56.27 -62.09 1.95 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.909 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.563 ' HB2' ' OD1' ' A' ' 71' ' ' ASP . 8.1 p-10 -97.03 111.49 23.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.589 179.444 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.549 ' O ' ' HG3' ' A' ' 72' ' ' LYS . 8.9 tp -84.05 -21.03 8.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.012 -179.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.563 ' OD1' ' HB2' ' A' ' 69' ' ' ASP . 20.8 p-10 -61.42 -15.5 37.58 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.39 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.549 ' HG3' ' O ' ' A' ' 70' ' ' ILE . 38.5 mtpt 56.19 12.85 1.05 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.619 178.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 78.3 p -61.24 -17.78 55.07 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.812 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 106.23 -21.83 32.42 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.735 -0.745 . . . . 0.0 111.957 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.748 ' HB ' HG22 ' A' ' 41' ' ' THR . 4.9 t -133.13 127.77 34.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.751 0.31 . . . . 0.0 110.26 179.603 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.772 HD12 ' HB1' ' A' ' 68' ' ' ALA . 12.6 tt -78.21 133.72 29.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.967 0.413 . . . . 0.0 111.588 -179.384 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 57.9 t0 -110.07 147.35 33.76 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.618 179.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.491 ' CE1' ' HB2' ' A' ' 25' ' ' LEU . 22.4 t80 -50.67 -32.97 20.76 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.641 0.258 . . . . 0.0 111.356 -179.362 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.444 ' O ' HG22 ' A' ' 82' ' ' ILE . . . -52.8 -47.0 59.64 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.75 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -88.61 -32.17 18.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.847 0.356 . . . . 0.0 111.342 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -56.91 -21.71 31.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.604 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.444 HG22 ' O ' ' A' ' 79' ' ' GLY . 9.3 tp -56.9 -24.2 19.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.495 -179.638 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -52.2 -57.02 10.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.305 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -135.83 112.14 9.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.123 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 9.7 t -117.68 157.13 27.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.983 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 47.3 t -106.63 126.28 62.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.1 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 8.4 p80 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.255 -0.878 . . . . 0.0 110.869 179.929 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 42.4 m170 . . . . . 0 N--CA 1.486 1.325 0 CA-C-O 120.836 0.351 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.7 m -99.48 100.41 11.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.1 p -83.79 -21.76 32.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.868 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.58 70.39 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.523 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 8.2 p80 -118.4 -171.02 2.0 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.751 0.31 . . . . 0.0 111.014 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 47.5 mm -55.61 97.76 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.264 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -169.49 -75.14 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.679 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -166.57 29.89 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.285 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -121.98 -68.5 0.89 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.136 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -75.01 -31.24 61.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.096 -179.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -85.65 -12.92 50.15 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.595 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -89.58 -29.46 18.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.727 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 15.7 tpt -72.14 -34.18 68.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.776 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.46 -27.64 57.46 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.661 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -96.15 -87.53 0.29 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.446 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.457 ' HG2' HH11 ' A' ' 16' ' ' ARG . 21.9 ptt-85 -162.38 138.95 7.79 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.891 179.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 64.4 tp -95.3 120.03 34.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.605 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.759 ' HB2' ' HA3' ' A' ' 23' ' ' GLY . 46.1 t -119.91 85.03 2.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.225 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.529 ' HG3' ' HG2' ' A' ' 20' ' ' GLU . 22.3 pt-20 -85.76 -51.65 6.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.477 179.321 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.529 ' HG2' ' HG3' ' A' ' 19' ' ' GLU . 66.6 mm-40 -90.79 -65.18 1.04 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.045 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.481 ' HB2' ' HB2' ' A' ' 78' ' ' TYR . 11.4 pt-20 -175.04 -15.94 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.322 -179.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.401 HG22 ' O ' ' A' ' 22' ' ' ILE . 47.2 mt -53.07 -15.34 0.71 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 CA-C-N 116.127 -0.488 . . . . 0.0 112.315 -179.337 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.759 ' HA3' ' HB2' ' A' ' 18' ' ' SER . . . -71.02 -65.43 2.47 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.408 -0.901 . . . . 0.0 113.418 -179.181 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -95.26 -5.26 60.68 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.73 -0.748 . . . . 0.0 113.276 -179.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.647 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 8.8 tt -50.77 -31.18 16.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.735 0.268 . . . . 0.0 111.238 -179.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.559 ' HD2' ' N ' ' A' ' 26' ' ' LYS . 0.2 OUTLIER -90.93 -44.77 9.16 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -178.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -88.46 -68.17 0.78 Allowed 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 -177.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 89.5 mt -72.75 -64.22 1.01 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 -177.339 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.534 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 4.0 t80 -40.32 -48.69 2.7 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.662 0.615 . . . . 0.0 112.662 -178.244 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.647 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 30.2 mtpp -65.89 -38.53 89.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.778 0.323 . . . . 0.0 111.049 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 51.5 ttm -73.96 -15.08 61.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.072 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 74.3 mt -92.01 -41.36 12.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.945 0.402 . . . . 0.0 110.7 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.54 ' HA ' HG12 ' A' ' 40' ' ' ILE . 35.5 t70 -65.58 119.83 11.82 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.015 179.53 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 63.7 m -63.66 -12.68 35.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.246 0.546 . . . . 0.0 109.922 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.416 ' C ' ' N ' ' A' ' 37' ' ' SER . 57.2 m-20 -104.71 -17.27 14.7 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.568 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 52.54 16.21 0.6 Allowed 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 -179.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.416 ' N ' ' C ' ' A' ' 35' ' ' ASP . 66.6 p -75.99 -20.96 57.42 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.666 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 109.88 9.79 23.91 Favored Glycine 0 N--CA 1.453 -0.217 0 CA-C-N 115.201 -0.909 . . . . 0.0 112.686 179.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.431 ' HB ' ' OG1' ' A' ' 75' ' ' THR . 49.6 p -153.43 131.88 12.11 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.043 -0.355 . . . . 0.0 110.043 179.699 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.54 HG12 ' HA ' ' A' ' 33' ' ' ASP . 96.6 mt -103.39 130.71 53.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.822 0.344 . . . . 0.0 111.106 -179.617 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.621 HG22 ' HB ' ' A' ' 75' ' ' THR . 80.7 p -111.69 146.64 37.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.045 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.707 ' HB2' ' HG3' ' A' ' 65' ' ' MET . 24.2 t80 -37.42 -42.75 0.52 Allowed 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 123.176 0.59 . . . . 0.0 112.026 179.532 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -48.22 -47.91 35.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.773 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.492 ' HG3' HG23 ' A' ' 40' ' ' ILE . 10.0 pt-20 -89.31 -28.34 19.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.962 179.78 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.672 HD21 HD11 ' A' ' 64' ' ' LEU . 41.3 tp -42.84 -54.87 3.94 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.897 0.38 . . . . 0.0 111.129 -179.101 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.861 ' HB3' HG21 ' A' ' 61' ' ' ILE . 13.9 ptmm? -49.71 -57.77 6.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.708 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.776 ' HA ' ' HB3' ' A' ' 50' ' ' LYS . 34.7 t70 -55.66 -16.55 4.31 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 122.483 0.313 . . . . 0.0 111.778 -179.65 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -68.98 -52.14 25.36 Favored Glycine 0 N--CA 1.447 -0.596 0 N-CA-C 110.683 -0.967 . . . . 0.0 110.683 179.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.608 ' O ' HG22 ' A' ' 52' ' ' VAL . 19.5 tp -90.73 -12.85 35.37 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-O 121.041 0.448 . . . . 0.0 109.838 178.689 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.776 ' HB3' ' HA ' ' A' ' 47' ' ' ASP . 1.1 tmtp? -78.17 -27.51 48.04 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.017 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.441 HH11 ' HG3' ' A' ' 51' ' ' ARG . 32.4 tpt85 -44.67 -30.48 0.94 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.701 179.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.608 HG22 ' O ' ' A' ' 49' ' ' LEU . 32.3 m -76.53 -31.8 20.6 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 CA-C-O 120.687 0.28 . . . . 0.0 111.495 -179.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 61.86 48.78 81.61 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.844 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 48.5 t -88.43 -97.92 0.09 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.698 0.285 . . . . 0.0 110.939 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -141.0 41.83 1.81 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.96 0.41 . . . . 0.0 110.468 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.453 HD21 ' HG ' ' A' ' 49' ' ' LEU . 6.8 mp -69.54 157.7 36.66 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-O 121.365 0.602 . . . . 0.0 111.636 -179.582 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.536 ' HG3' ' H ' ' A' ' 60' ' ' GLU . 19.5 ptp -126.39 124.52 40.37 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.069 -0.969 . . . . 0.0 109.843 178.78 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.692 ' HA ' HD12 ' A' ' 61' ' ' ILE . 8.6 mp0 -53.73 -9.64 0.23 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.219 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.432 ' H ' ' C ' ' A' ' 57' ' ' MET . 58.4 m -84.11 -40.01 18.79 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.81 -179.287 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.536 ' H ' ' HG3' ' A' ' 57' ' ' MET . 5.3 tp10 -78.57 -19.53 52.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.738 0.304 . . . . 0.0 110.351 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.861 HG21 ' HB3' ' A' ' 46' ' ' LYS . 33.4 mt -69.02 -40.36 80.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.511 ' HD3' ' N ' ' A' ' 63' ' ' ASP . 0.0 OUTLIER -81.4 -32.0 32.99 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.991 0.424 . . . . 0.0 110.336 179.614 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.511 ' N ' ' HD3' ' A' ' 62' ' ' LYS . 8.5 t70 -73.93 -29.77 62.2 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.151 179.619 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.672 HD11 HD21 ' A' ' 45' ' ' LEU . 1.5 pp -80.92 -36.19 31.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.689 179.616 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.707 ' HG3' ' HB2' ' A' ' 42' ' ' PHE . 0.9 OUTLIER -61.41 -49.16 77.98 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.598 179.58 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -71.44 -31.86 67.69 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.055 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.07 -21.26 58.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.681 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.586 ' HB1' ' HA ' ' A' ' 81' ' ' PHE . . . -112.41 -59.89 1.94 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.358 -179.731 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.601 ' HB2' ' HB ' ' A' ' 76' ' ' ILE . 6.2 t70 -54.38 98.64 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.157 0.503 . . . . 0.0 111.321 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 14.4 tt -84.79 -25.17 7.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.978 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -69.16 -7.66 38.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.368 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 34.49 33.37 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.524 -0.762 . . . . 0.0 112.146 179.779 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 84.7 p -90.51 -6.64 54.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.974 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 106.84 -20.75 33.31 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.639 -0.791 . . . . 0.0 111.578 -179.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.621 ' HB ' HG22 ' A' ' 41' ' ' THR . 6.4 t -115.37 175.23 5.61 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 179.285 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.601 ' HB ' ' HB2' ' A' ' 69' ' ' ASP . 11.9 tt -156.17 143.5 11.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 120.992 0.425 . . . . 0.0 111.353 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -125.21 170.22 11.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.581 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.481 ' HB2' ' HB2' ' A' ' 21' ' ' GLU . 3.5 m-30 -51.43 -35.27 38.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.28 179.626 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.413 ' O ' ' HB2' ' A' ' 83' ' ' ALA . . . -59.54 -32.99 74.79 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.59 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.496 ' HB2' HG13 ' A' ' 76' ' ' ILE . 46.7 mt-10 -88.32 -59.23 2.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.73 0.3 . . . . 0.0 110.857 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.586 ' HA ' ' HB1' ' A' ' 68' ' ' ALA . 30.0 t80 -43.4 -43.61 5.29 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.73 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 50.4 mm -79.17 -31.15 14.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.392 -179.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.413 ' HB2' ' O ' ' A' ' 79' ' ' GLY . . . -54.96 -51.06 67.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.413 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.84 -80.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.451 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 74.6 p -83.17 138.8 33.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.997 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 39.5 t 54.61 82.77 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.007 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.418 ' CD2' ' H ' ' A' ' 87' ' ' HIS . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.166 -0.921 . . . . 0.0 111.065 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 23.6 t-80 . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.761 0.315 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.2 p -156.31 163.04 40.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.971 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.9 t -113.64 17.81 17.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.669 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.27 12.11 9.73 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.526 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 73.9 t60 -161.75 -69.05 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.788 0.328 . . . . 0.0 110.724 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 65.7 mt -77.17 83.96 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.851 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -167.31 -72.78 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.792 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 55.9 p-10 -169.53 31.76 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.932 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -101.55 -78.68 0.52 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.956 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -87.3 -18.12 30.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.799 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -85.44 -26.83 26.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.739 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.442 ' O ' ' HG2' ' A' ' 16' ' ' ARG . 33.0 t-80 -78.58 -34.79 46.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.466 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 48.8 ttm -65.86 -29.15 69.55 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.697 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.64 -45.29 87.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.07 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -69.54 -23.12 63.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.442 ' HG2' ' O ' ' A' ' 12' ' ' HIS . 27.0 mmm180 -77.57 -27.77 51.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.713 179.551 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 67.1 tp -80.63 101.74 9.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.803 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 55.4 m -82.36 97.5 8.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.777 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -85.11 -17.65 36.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.038 -179.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -74.99 -14.31 60.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.463 -179.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -52.1 -46.53 65.31 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.778 0.323 . . . . 0.0 111.47 -179.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.597 HG12 ' HD2' ' A' ' 78' ' ' TYR . 14.5 tt -61.17 -12.77 6.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.105 -179.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.509 ' O ' ' HG ' ' A' ' 25' ' ' LEU . . . -50.92 -4.54 0.07 OUTLIER Glycine 0 CA--C 1.523 0.548 0 CA-C-N 115.686 -0.688 . . . . 0.0 114.285 -179.723 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.432 ' H ' ' C ' ' A' ' 22' ' ' ILE . . . -56.06 -3.89 0.63 Allowed Glycine 0 CA--C 1.523 0.543 0 C-N-CA 121.14 -0.552 . . . . 0.0 112.826 179.534 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.771 HD12 ' N ' ' A' ' 26' ' ' LYS . 3.5 pp -38.33 -25.7 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 -179.582 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.771 ' N ' HD12 ' A' ' 25' ' ' LEU . 55.9 mtpt -49.42 -16.41 0.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 -179.311 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -83.61 -68.32 0.72 Allowed 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -178.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.494 HD22 ' N ' ' A' ' 28' ' ' LEU . 3.0 mm? -90.44 -48.91 6.82 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 -178.618 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.583 ' CB ' ' HB2' ' A' ' 25' ' ' LEU . 6.5 t80 -43.68 -53.1 6.03 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -177.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.701 ' HG2' ' HA2' ' A' ' 38' ' ' GLY . 48.4 mtmt -68.39 -21.05 64.72 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 121.056 -0.258 . . . . 0.0 111.673 -179.106 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 17.6 ttt -81.33 -26.7 35.39 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 120.744 0.307 . . . . 0.0 111.251 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.637 HG23 HD11 ' A' ' 40' ' ' ILE . 9.4 tp -93.1 -28.51 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.239 0.543 . . . . 0.0 110.379 179.675 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 61.2 t0 -59.17 119.6 7.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.568 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 87.4 m -59.67 -12.81 7.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.214 0.53 . . . . 0.0 110.109 179.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.495 ' HB2' ' OE2' ' A' ' 44' ' ' GLU . 54.2 t0 -105.38 -22.57 13.01 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.012 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 49.2 t30 56.04 13.2 1.09 Allowed 'General case' 0 C--N 1.334 -0.107 0 CA-C-O 121.104 0.478 . . . . 0.0 109.978 -179.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 81.0 p -78.08 -19.46 54.16 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.835 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.701 ' HA2' ' HG2' ' A' ' 30' ' ' LYS . . . 111.11 3.78 27.75 Favored Glycine 0 N--CA 1.454 -0.158 0 CA-C-N 115.365 -0.834 . . . . 0.0 112.533 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 75.1 p -144.71 132.81 21.54 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.694 ' O ' HG22 ' A' ' 76' ' ' ILE . 76.8 mt -104.73 128.36 58.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.389 -179.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.76 ' HB ' HG22 ' A' ' 75' ' ' THR . 1.6 t -104.82 165.58 10.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.861 179.317 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.496 ' HB2' ' HG2' ' A' ' 65' ' ' MET . 15.2 t80 -38.36 -58.22 1.03 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.49 -0.777 . . . . 0.0 112.422 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -52.85 -37.65 60.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.038 0.447 . . . . 0.0 110.571 -179.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.495 ' OE2' ' HB2' ' A' ' 35' ' ' ASP . 91.4 mt-10 -89.15 -13.7 37.81 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.882 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.511 ' N ' ' O ' ' A' ' 41' ' ' THR . 63.3 tp -69.59 -53.27 19.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.739 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.814 ' HB3' HG21 ' A' ' 61' ' ' ILE . 0.3 OUTLIER -57.37 -20.7 31.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.47 -179.689 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.665 ' HA ' ' NZ ' ' A' ' 50' ' ' LYS . 10.0 t70 -65.44 -16.94 64.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.231 0.539 . . . . 0.0 110.372 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.506 ' O ' HG13 ' A' ' 52' ' ' VAL . . . -91.81 -42.81 4.65 Favored Glycine 0 N--CA 1.448 -0.541 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.163 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.537 HD12 HG12 ' A' ' 61' ' ' ILE . 92.9 mt -73.72 -20.36 60.55 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 178.716 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.665 ' NZ ' ' HA ' ' A' ' 47' ' ' ASP . 6.1 ttpm? -86.54 -41.29 14.46 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.242 179.351 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.526 ' HD3' ' C ' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -60.33 -37.89 82.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.016 -179.845 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.506 HG13 ' O ' ' A' ' 48' ' ' GLY . 33.2 m -65.73 -25.15 35.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.551 -179.503 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 94.33 49.23 2.44 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.352 -0.927 . . . . 0.0 113.135 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.713 ' HB2' ' HG ' ' A' ' 56' ' ' LEU . 94.8 p -117.36 118.37 32.05 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 179.209 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.464 ' HA ' ' OE1' ' A' ' 55' ' ' GLU . 4.4 mm-40 -84.63 33.12 0.51 Allowed 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.952 -179.655 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.713 ' HG ' ' HB2' ' A' ' 54' ' ' SER . 38.5 mt -60.45 179.21 0.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.73 -1.123 . . . . 0.0 110.995 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.555 ' HG2' ' H ' ' A' ' 60' ' ' GLU . 1.2 pmm? -82.87 127.36 33.43 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.049 178.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -56.9 -10.18 1.01 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.316 0.579 . . . . 0.0 110.587 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.419 ' O ' ' HG3' ' A' ' 62' ' ' LYS . 49.5 m -74.07 -41.25 62.01 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.449 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.555 ' H ' ' HG2' ' A' ' 57' ' ' MET . 42.9 tp10 -62.38 -15.78 50.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.942 179.151 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.814 HG21 ' HB3' ' A' ' 46' ' ' LYS . 19.1 mt -89.56 -33.22 5.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.704 -179.388 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.692 ' HD2' ' N ' ' A' ' 63' ' ' ASP . 0.0 OUTLIER -85.83 -33.48 21.32 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 -178.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.692 ' N ' ' HD2' ' A' ' 62' ' ' LYS . 57.1 p30 -82.71 -17.79 43.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.992 0.425 . . . . 0.0 110.461 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.522 ' HB2' ' O ' ' A' ' 60' ' ' GLU . 25.4 tp -86.97 -32.89 19.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.326 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.496 ' HG2' ' HB2' ' A' ' 42' ' ' PHE . 12.9 tpt -73.4 -34.09 65.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.217 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -74.69 -32.76 62.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.148 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -84.66 -14.59 48.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.422 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -98.8 -20.12 17.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.405 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -117.94 89.65 3.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.141 0.496 . . . . 0.0 110.674 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.584 ' N ' HD12 ' A' ' 70' ' ' ILE . 2.6 mp -83.76 -21.39 8.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.648 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -58.45 -18.25 27.12 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.819 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.553 ' HG2' ' O ' ' A' ' 70' ' ' ILE . 75.6 mmtt 62.92 12.55 5.9 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 179.6 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 51.0 m -74.46 -3.43 30.66 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.142 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 85.47 -26.18 5.91 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.738 -0.744 . . . . 0.0 111.896 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.76 HG22 ' HB ' ' A' ' 41' ' ' THR . 80.5 p -117.76 141.48 48.35 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 179.379 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.694 HG22 ' O ' ' A' ' 40' ' ' ILE . 10.5 tt -97.59 141.13 16.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.042 0.449 . . . . 0.0 111.586 -179.528 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -134.94 154.86 51.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.634 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.701 ' HB2' HD23 ' A' ' 25' ' ' LEU . 3.4 m-85 -42.27 -40.4 2.42 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.14 -0.482 . . . . 0.0 112.239 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -50.82 -46.87 48.43 Favored Glycine 0 CA--C 1.518 0.274 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.981 -179.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.626 ' OE2' ' HA ' ' A' ' 76' ' ' ILE . 9.4 pt-20 -88.55 -54.01 4.37 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.639 0.257 . . . . 0.0 111.279 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.494 ' HB2' HD11 ' A' ' 76' ' ' ILE . 27.5 t80 -42.34 -37.35 1.52 Allowed 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 116.133 -0.485 . . . . 0.0 112.084 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.66 HD13 ' O ' ' A' ' 82' ' ' ILE . 0.1 OUTLIER -50.83 -42.41 23.1 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.924 -179.289 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.73 -37.57 51.6 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.198 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.45 111.69 11.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 87.8 m -81.92 109.93 16.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.035 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 92.5 t -77.02 137.2 22.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 82.3 m-70 . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.877 -179.88 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 17.2 t-160 . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.795 0.331 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.1 t -101.28 166.9 10.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.774 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.5 m -72.63 -36.88 68.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.43 141.99 13.23 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.575 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -129.72 -42.6 1.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.775 0.322 . . . . 0.0 110.92 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.5 tt -96.94 100.58 10.99 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.062 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -149.53 -101.78 0.07 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.637 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.661 ' HA ' ' HB2' ' A' ' 12' ' ' HIS . 2.0 m-20 -143.97 54.03 1.3 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.839 0.352 . . . . 0.0 110.649 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -131.56 -87.54 0.47 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.237 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -97.38 -25.79 15.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.924 0.392 . . . . 0.0 110.87 -179.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.554 ' NZ ' ' HB3' ' A' ' 11' ' ' LYS . 3.4 mmmp? -86.63 -9.84 55.15 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.599 179.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.661 ' HB2' ' HA ' ' A' ' 8' ' ' ASP . 72.2 t60 -73.72 -16.21 61.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.225 0.536 . . . . 0.0 109.722 179.485 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.678 ' HG3' ' HD2' ' A' ' 16' ' ' ARG . 27.6 ttt -75.83 -2.84 31.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.215 179.611 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.6 -27.12 19.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.313 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.585 ' HG3' ' O ' ' A' ' 12' ' ' HIS . 1.2 pp20? -83.74 -26.5 29.65 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.876 0.37 . . . . 0.0 110.862 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.678 ' HD2' ' HG3' ' A' ' 13' ' ' MET . 15.3 ptp180 -67.46 -154.57 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.583 179.66 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.606 ' H ' HD22 ' A' ' 17' ' ' LEU . 2.7 mm? -60.79 116.51 4.48 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.795 0.331 . . . . 0.0 110.644 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 77.9 p -110.23 84.8 1.99 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.625 179.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -82.0 -9.8 59.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.841 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -78.37 -14.25 59.48 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.638 -179.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -49.52 -15.63 0.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.44 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.69 HG22 ' HB3' ' A' ' 78' ' ' TYR . 39.1 pt -57.24 -13.17 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.15 179.298 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.58 -21.38 54.51 Favored Glycine 0 CA--C 1.519 0.341 0 C-N-CA 121.034 -0.603 . . . . 0.0 113.274 -179.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -94.11 -4.5 62.95 Favored Glycine 0 CA--C 1.517 0.189 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.809 -179.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.789 HD21 ' HB2' ' A' ' 78' ' ' TYR . 46.5 mt -59.63 -21.7 60.81 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -179.327 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.472 ' O ' ' HD3' ' A' ' 30' ' ' LYS . 14.5 mmmm -57.78 -19.15 26.09 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.263 -179.643 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.489 ' HB3' HD12 ' A' ' 28' ' ' LEU . 87.5 tt0 -89.35 -67.91 0.81 Allowed 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 112.597 0.592 . . . . 0.0 112.597 -179.227 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.54 ' N ' HD12 ' A' ' 28' ' ' LEU . 4.2 mp -89.92 -67.55 0.84 Allowed 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -178.164 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.719 ' HB2' HD22 ' A' ' 25' ' ' LEU . 10.3 t80 -34.94 -43.08 0.18 Allowed 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 -177.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.472 ' HD3' ' O ' ' A' ' 26' ' ' LYS . 13.0 pttm -64.74 -42.17 95.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.963 0.411 . . . . 0.0 111.116 -178.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 50.2 ttm -64.22 -27.03 68.78 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.442 -179.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.75 HG23 HD11 ' A' ' 40' ' ' ILE . 10.6 tp -92.56 -21.33 6.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.016 0.436 . . . . 0.0 110.701 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.461 ' OD2' ' HB3' ' A' ' 35' ' ' ASP . 31.0 t70 -85.67 125.08 32.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.46 179.549 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 72.6 m -59.94 -13.79 12.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.976 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.461 ' HB3' ' OD2' ' A' ' 33' ' ' ASP . 28.5 t70 -103.56 -16.41 15.54 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.259 -179.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.2 m120 50.87 18.91 0.56 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.257 179.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 81.0 p -83.69 -17.85 39.98 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-O 121.35 0.595 . . . . 0.0 109.493 179.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 107.2 4.81 35.34 Favored Glycine 0 N--CA 1.451 -0.336 0 CA-C-N 114.971 -1.013 . . . . 0.0 112.045 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 81.6 p -134.89 132.01 38.01 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.75 HD11 HG23 ' A' ' 32' ' ' ILE . 48.5 mt -104.58 138.47 29.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.832 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.93 HG22 HG22 ' A' ' 75' ' ' THR . 60.4 p -120.24 151.43 39.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.379 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.814 ' HB2' ' HG2' ' A' ' 65' ' ' MET . 19.1 t80 -44.25 -43.6 7.38 Favored 'General case' 0 N--CA 1.454 -0.271 0 O-C-N 123.335 0.397 . . . . 0.0 110.891 179.496 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -54.21 -42.13 69.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.949 179.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.478 ' O ' ' HB2' ' A' ' 47' ' ' ASP . 36.6 mt-10 -89.42 -16.19 31.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.094 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.615 HD22 ' HB2' ' A' ' 65' ' ' MET . 21.1 tp -58.6 -64.14 1.03 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.057 0.456 . . . . 0.0 110.591 -179.28 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.53 ' HB3' HG21 ' A' ' 61' ' ' ILE . 61.6 pttt -49.31 -32.9 11.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.746 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.582 ' HA ' ' HZ1' ' A' ' 50' ' ' LYS . 1.1 m-20 -48.11 -16.71 0.1 Allowed 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -179.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -64.89 -61.81 5.52 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.584 -0.817 . . . . 0.0 111.365 179.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.5 ' N ' HD12 ' A' ' 49' ' ' LEU . 6.2 mp -90.25 -14.03 34.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.862 0.363 . . . . 0.0 110.208 179.03 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.645 ' HD2' ' O ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -74.25 -32.52 63.0 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.54 -179.855 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.404 HH11 ' HG2' ' A' ' 51' ' ' ARG . 55.1 ttp85 -47.8 -36.76 12.28 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.563 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 35.0 m -89.64 -28.51 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.394 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 60.79 48.81 84.37 Favored Glycine 0 C--N 1.332 0.336 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.76 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 46.8 t -86.4 -95.47 0.08 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.628 0.251 . . . . 0.0 110.957 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -147.56 69.58 1.15 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.982 0.42 . . . . 0.0 110.374 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.92 ' H ' HD22 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -91.97 179.53 5.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.509 -179.641 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.483 ' O ' HG13 ' A' ' 61' ' ' ILE . 3.1 mpp? -114.02 98.73 7.16 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.76 178.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -60.93 -17.54 51.78 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 179.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.452 ' O ' ' HG3' ' A' ' 62' ' ' LYS . 78.8 p -87.79 -17.66 31.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 114.948 -1.024 . . . . 0.0 111.111 179.582 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.419 ' HG3' ' HG ' ' A' ' 64' ' ' LEU . 17.0 tp10 -90.4 -39.85 12.42 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.008 0.432 . . . . 0.0 109.948 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.53 HG21 ' HB3' ' A' ' 46' ' ' LYS . 31.6 mt -59.39 -26.09 33.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.561 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.609 ' HD3' ' N ' ' A' ' 63' ' ' ASP . 0.0 OUTLIER -73.53 -43.31 60.27 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.663 0.268 . . . . 0.0 110.726 -179.91 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.609 ' N ' ' HD3' ' A' ' 62' ' ' LYS . 2.9 p30 -80.11 -23.75 41.0 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 179.426 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.419 ' HG ' ' HG3' ' A' ' 60' ' ' GLU . 24.8 mt -72.64 -26.23 61.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.911 178.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.814 ' HG2' ' HB2' ' A' ' 42' ' ' PHE . 12.9 tpt -83.93 -39.65 19.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.468 179.388 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -74.65 -22.79 58.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.016 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.49 -56.86 12.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.208 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.6 -50.94 21.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -81.91 100.5 9.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.0 0.428 . . . . 0.0 110.776 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.531 ' O ' ' HG3' ' A' ' 72' ' ' LYS . 14.3 tt -84.21 -22.78 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.511 179.749 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -56.14 -24.57 41.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.608 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.531 ' HG3' ' O ' ' A' ' 70' ' ' ILE . 40.6 mttm 63.56 5.26 2.08 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-O 121.242 0.544 . . . . 0.0 110.157 -179.619 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 80.5 p -70.45 0.76 6.03 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.384 -0.826 . . . . 0.0 111.188 -179.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.47 -10.1 38.59 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.135 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.93 HG22 HG22 ' A' ' 41' ' ' THR . 71.7 p -119.89 127.46 52.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.812 0.339 . . . . 0.0 110.622 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.566 ' HA ' ' OE2' ' A' ' 80' ' ' GLU . 10.7 tt -96.38 134.9 32.29 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.093 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -117.9 162.95 17.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.669 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.789 ' HB2' HD21 ' A' ' 25' ' ' LEU . 30.2 t80 -62.15 -31.25 71.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.913 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.94 -44.39 97.48 Favored Glycine 0 CA--C 1.519 0.334 0 CA-C-N 115.825 -0.625 . . . . 0.0 113.706 -178.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.566 ' OE2' ' HA ' ' A' ' 76' ' ' ILE . 22.0 pt-20 -86.95 -43.3 12.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.882 0.341 . . . . 0.0 111.426 -179.263 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.413 ' CD1' HD11 ' A' ' 76' ' ' ILE . 30.7 t80 -44.88 -45.51 10.33 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.364 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.43 HG22 ' O ' ' A' ' 78' ' ' TYR . 10.2 tp -77.63 -30.02 16.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.393 -179.692 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.6 -20.63 61.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.356 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.06 121.58 15.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.08 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 68.8 p -70.03 156.41 39.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.87 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 35.1 m -87.69 -5.59 10.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.154 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.206 -0.902 . . . . 0.0 110.87 179.961 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 18.6 t-160 . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.821 0.343 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 76.5 p -79.36 67.78 5.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.9 m -135.05 24.87 3.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.85 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.45 -23.89 8.16 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.418 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.474 ' HB3' ' NZ ' ' A' ' 11' ' ' LYS . 93.3 m-70 -135.38 -18.29 1.73 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.753 0.311 . . . . 0.0 111.069 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 42.3 mm -103.13 75.08 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.977 0.418 . . . . 0.0 110.891 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -137.19 -87.41 0.29 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.832 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.699 ' HA ' ' HB2' ' A' ' 12' ' ' HIS . 10.8 p-10 -173.77 81.94 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.839 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -151.74 -80.73 0.1 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -88.03 -33.78 18.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.319 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.531 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 62.5 mttp -89.18 -9.83 49.41 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.875 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.699 ' HB2' ' HA ' ' A' ' 8' ' ' ASP . 78.3 t60 -75.66 -28.37 58.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.63 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 26.5 mmt -65.72 -21.4 66.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.659 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -96.2 -17.71 20.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.974 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.531 ' HG2' ' O ' ' A' ' 11' ' ' LYS . 4.9 mm-40 -89.02 -21.88 23.26 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.951 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -81.23 -175.59 5.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.804 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.544 ' N ' HD22 ' A' ' 17' ' ' LEU . 2.5 mm? -78.64 173.5 12.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.414 179.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.574 ' HB3' ' OE1' ' A' ' 21' ' ' GLU . 50.5 m -118.8 86.15 2.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.948 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -84.88 -7.78 59.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.092 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 -71.16 -60.86 2.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.171 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.623 ' HG3' ' H ' ' A' ' 78' ' ' TYR . 8.8 mp0 -61.68 -70.2 0.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.611 -179.495 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.569 HG12 ' O ' ' A' ' 18' ' ' SER . 29.8 pt -59.32 -12.87 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -178.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -81.15 -67.04 1.57 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 119.813 -1.184 . . . . 0.0 114.112 -178.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -97.37 -65.64 0.9 Allowed Glycine 0 CA--C 1.52 0.404 0 C-N-CA 120.527 -0.844 . . . . 0.0 114.788 -178.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.779 ' HG ' ' H ' ' A' ' 29' ' ' PHE . 14.0 tp -67.6 -7.97 30.64 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -177.538 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.511 ' HB2' ' HA ' ' A' ' 22' ' ' ILE . 62.2 tttm -40.61 -22.68 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -179.341 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 25' ' ' LEU . 17.6 tp10 -83.72 -47.01 11.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.873 0.368 . . . . 0.0 111.443 -179.682 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.64 HD23 HD11 ' A' ' 25' ' ' LEU . 64.0 tp -88.48 -52.28 5.26 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.945 -0.57 . . . . 0.0 112.067 -178.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.779 ' H ' ' HG ' ' A' ' 25' ' ' LEU . 6.0 t80 -41.94 -43.22 3.03 Favored 'General case' 0 N--CA 1.463 0.188 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -178.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.4 ' O ' ' HA ' ' A' ' 36' ' ' ASN . 13.7 pttp -70.58 -40.12 73.46 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.167 0.508 . . . . 0.0 110.691 -179.599 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 56.9 ttp -74.42 -18.13 60.7 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.776 -179.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.734 HG23 HD11 ' A' ' 40' ' ' ILE . 10.5 tp -92.24 -25.48 5.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.124 0.488 . . . . 0.0 110.3 179.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.468 ' OD2' ' HB3' ' A' ' 35' ' ' ASP . 30.7 t70 -82.91 125.16 31.06 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.018 179.216 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.682 HG22 ' HB3' ' A' ' 44' ' ' GLU . 5.0 t -56.43 -31.61 64.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.394 0.616 . . . . 0.0 110.51 -179.585 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.602 ' HB2' ' OE2' ' A' ' 44' ' ' GLU . 20.5 t70 -80.87 -20.06 43.1 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.766 -179.563 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.4 ' HA ' ' O ' ' A' ' 30' ' ' LYS . 5.9 m120 50.78 19.55 0.63 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.856 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.401 ' HB3' ' OD2' ' A' ' 35' ' ' ASP . 84.5 p -82.64 -16.88 46.63 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-O 121.423 0.63 . . . . 0.0 109.5 179.679 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.7 17.6 14.48 Favored Glycine 0 N--CA 1.451 -0.342 0 CA-C-N 114.972 -1.013 . . . . 0.0 112.153 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 72.1 p -150.29 132.43 15.35 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.734 HD11 HG23 ' A' ' 32' ' ' ILE . 69.5 mt -104.61 143.66 15.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.756 -0.378 . . . . 0.0 111.304 -179.66 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.465 ' O ' ' N ' ' A' ' 45' ' ' LEU . 75.6 p -134.15 150.44 51.11 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.401 179.488 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.543 ' HB2' ' HG2' ' A' ' 65' ' ' MET . 15.4 t80 -34.8 -61.51 0.4 Allowed 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 123.483 0.713 . . . . 0.0 112.613 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -51.53 -37.75 50.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.981 0.42 . . . . 0.0 110.738 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.682 ' HB3' HG22 ' A' ' 34' ' ' THR . 38.9 mt-10 -87.3 -17.21 32.99 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.082 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.596 HD22 ' SD ' ' A' ' 65' ' ' MET . 35.3 tp -67.23 -61.72 1.78 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.205 0.526 . . . . 0.0 110.728 -179.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.711 ' HB3' HG21 ' A' ' 61' ' ' ILE . 22.3 pttp -55.29 -33.04 62.91 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.12 -179.647 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.519 ' O ' ' HB2' ' A' ' 51' ' ' ARG . 7.6 t70 -45.68 -16.16 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.164 -0.471 . . . . 0.0 112.044 -179.748 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 46' ' ' LYS . . . -68.72 -64.05 3.23 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.155 -1.021 . . . . 0.0 111.86 179.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.694 ' O ' HG12 ' A' ' 52' ' ' VAL . 3.5 mm? -91.5 -13.51 32.04 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.739 0.304 . . . . 0.0 110.794 179.287 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.758 ' HE3' HD13 ' A' ' 56' ' ' LEU . 11.9 mptt -86.71 -15.19 40.26 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.68 0.622 . . . . 0.0 112.68 -178.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.519 ' HB2' ' O ' ' A' ' 47' ' ' ASP . 30.1 tpt180 -70.73 -11.84 61.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.095 0.474 . . . . 0.0 110.247 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.694 HG12 ' O ' ' A' ' 49' ' ' LEU . 7.1 p -85.12 -28.39 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.997 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 62.65 49.03 76.88 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.871 -0.681 . . . . 0.0 113.051 179.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 70.7 m -80.86 -107.57 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.922 0.361 . . . . 0.0 110.711 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.413 ' O ' ' HG2' ' A' ' 55' ' ' GLU . 36.4 tt0 -143.07 30.61 1.42 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.443 0.639 . . . . 0.0 109.667 179.554 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.758 HD13 ' HE3' ' A' ' 50' ' ' LYS . 0.6 OUTLIER -81.59 168.05 18.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.718 -179.775 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.505 ' HG3' ' HG2' ' A' ' 60' ' ' GLU . 19.9 ptt? -123.1 119.61 30.8 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.294 -0.867 . . . . 0.0 110.596 179.688 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.435 ' OE1' ' N ' ' A' ' 58' ' ' GLU . 0.3 OUTLIER -58.44 -9.33 1.54 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.675 179.698 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 89.1 p -63.05 -18.9 63.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.221 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.505 ' HG2' ' HG3' ' A' ' 57' ' ' MET . 5.1 mm-40 -86.05 -42.45 13.94 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.476 179.175 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.711 HG21 ' HB3' ' A' ' 46' ' ' LYS . 41.5 mm -52.92 -18.82 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.236 179.356 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 12.4 mmmm -73.07 -64.95 0.87 Allowed 'General case' 0 CA--C 1.514 -0.413 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 179.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -58.55 -17.22 19.86 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 177.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.551 ' HB2' ' HA ' ' A' ' 61' ' ' ILE . 57.1 mt -85.64 -37.56 19.36 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 115.041 -0.981 . . . . 0.0 111.25 179.614 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.596 ' SD ' HD22 ' A' ' 45' ' ' LEU . 15.8 tpt -88.37 -58.16 2.66 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.741 0.305 . . . . 0.0 111.353 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -46.96 -43.59 19.33 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.877 -179.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.81 -21.19 48.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.524 -179.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.43 ' HB1' HD12 ' A' ' 76' ' ' ILE . . . -71.52 -34.26 69.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.628 -179.627 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.613 ' HA ' ' HB3' ' A' ' 80' ' ' GLU . 7.1 t70 -114.84 128.08 56.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.006 0.431 . . . . 0.0 111.176 -179.692 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.721 HG22 ' HG3' ' A' ' 80' ' ' GLU . 0.0 OUTLIER -83.39 -27.44 7.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.828 -179.29 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.586 ' C ' ' HD3' ' A' ' 72' ' ' LYS . 63.3 m-20 -71.26 0.31 8.24 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -179.489 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.586 ' HD3' ' C ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER 34.14 36.97 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.047 0.451 . . . . 0.0 111.237 -179.768 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 53.1 p -91.9 -2.08 56.99 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.529 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 85.13 -10.33 63.72 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.652 -0.785 . . . . 0.0 111.816 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.453 ' OG1' HG22 ' A' ' 41' ' ' THR . 94.6 m -123.57 127.27 48.06 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 179.674 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.43 HD12 ' HB1' ' A' ' 68' ' ' ALA . 10.6 tt -97.87 137.99 23.9 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 CA-C-O 121.203 0.525 . . . . 0.0 111.708 -179.543 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -120.36 177.7 4.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.043 179.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.623 ' H ' ' HG3' ' A' ' 21' ' ' GLU . 28.1 t80 -56.75 -32.85 66.0 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.013 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.4 -41.4 99.76 Favored Glycine 0 CA--C 1.519 0.321 0 C-N-CA 121.019 -0.61 . . . . 0.0 113.451 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.721 ' HG3' HG22 ' A' ' 70' ' ' ILE . 5.5 mp0 -84.79 -35.78 22.14 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.913 0.356 . . . . 0.0 110.987 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.401 ' HA ' HD11 ' A' ' 76' ' ' ILE . 43.1 t80 -52.05 -44.81 64.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.31 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.423 HG22 ' O ' ' A' ' 78' ' ' TYR . 8.0 tp -79.97 -35.7 16.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.393 -179.678 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.12 -17.37 63.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.437 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.81 139.99 52.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.051 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 76.1 p -88.8 152.02 22.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.996 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 13.8 p -150.29 -17.8 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.946 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 10.0 p80 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.277 -0.868 . . . . 0.0 111.069 179.995 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 78.7 t60 . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.89 0.376 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.5 p -123.98 89.57 3.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.98 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.7 t -108.0 5.66 26.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.79 106.66 2.2 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.436 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 13.5 p-80 -170.07 152.32 4.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.089 0.471 . . . . 0.0 111.187 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.707 HG23 ' N ' ' A' ' 7' ' ' ASP . 0.4 OUTLIER -101.59 -175.86 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.453 179.528 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.707 ' N ' HG23 ' A' ' 6' ' ' ILE . 27.6 t70 -34.76 -44.94 0.23 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.906 0.384 . . . . 0.0 111.106 179.598 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -91.48 -104.9 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.069 179.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.499 ' O ' ' HG2' ' A' ' 13' ' ' MET . 34.3 t70 -175.62 -29.71 0.01 OUTLIER 'General case' 0 N--CA 1.461 0.094 0 CA-C-O 120.831 0.348 . . . . 0.0 111.24 179.531 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -98.22 -12.83 21.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.069 -0.514 . . . . 0.0 112.207 -178.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.616 ' NZ ' HG21 ' A' ' 6' ' ' ILE . 7.5 mtmp? -75.84 -25.09 55.92 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.986 0.422 . . . . 0.0 110.307 -179.542 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.515 ' HB2' ' HB ' ' A' ' 6' ' ' ILE . 81.1 t60 -90.32 -22.77 21.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.057 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.499 ' HG2' ' O ' ' A' ' 9' ' ' ASP . 26.5 mmt -58.57 -25.77 62.89 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.094 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.11 -27.72 69.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.639 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -134.49 35.42 3.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.777 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.46 ' HB3' ' HA ' ' A' ' 13' ' ' MET . 8.4 ptm180 -70.05 -14.76 62.83 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.406 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.739 HD12 ' HG3' ' A' ' 19' ' ' GLU . 0.3 OUTLIER -59.07 131.49 51.19 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.545 ' N ' HD13 ' A' ' 17' ' ' LEU . 51.5 m -119.65 90.53 3.35 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.829 0.347 . . . . 0.0 111.597 -179.375 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.739 ' HG3' HD12 ' A' ' 17' ' ' LEU . 95.7 mt-10 -85.49 -8.6 58.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.733 179.39 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.419 ' OE2' HG12 ' A' ' 82' ' ' ILE . 53.1 mt-10 -69.58 -17.26 63.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.741 -179.244 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.415 ' O ' HD22 ' A' ' 25' ' ' LEU . 39.1 tt0 -119.98 -70.22 0.8 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.799 0.333 . . . . 0.0 111.755 -179.32 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 14.5 tt -75.61 -13.21 15.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.784 -179.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -94.55 -4.97 61.94 Favored Glycine 0 CA--C 1.517 0.216 0 C-N-CA 120.483 -0.865 . . . . 0.0 113.221 -179.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.462 ' HA3' ' CG ' ' A' ' 78' ' ' TYR . . . -95.53 -55.04 1.37 Allowed Glycine 0 CA--C 1.518 0.244 0 C-N-CA 120.567 -0.825 . . . . 0.0 113.373 -179.507 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.689 ' HB2' ' HA2' ' A' ' 38' ' ' GLY . 2.0 pt? -59.5 -9.68 2.71 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 -178.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.442 ' O ' ' HD3' ' A' ' 30' ' ' LYS . 40.1 ttmt -73.89 -67.5 0.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -179.075 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -89.35 -67.57 0.83 Allowed 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 -178.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.547 HD22 ' H ' ' A' ' 28' ' ' LEU . 3.5 mm? -46.36 -60.74 2.15 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 113.127 0.788 . . . . 0.0 113.127 -177.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.608 ' HB2' ' HA ' ' A' ' 25' ' ' LEU . 5.5 m-85 -61.13 -62.28 1.96 Allowed 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 -178.281 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.537 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 29.3 mtpp -45.59 -26.17 0.56 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.874 0.368 . . . . 0.0 111.227 -179.374 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 51.0 ttm -89.67 -35.85 15.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.244 179.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 74.0 mt -93.97 -65.7 1.07 Allowed 'Isoleucine or valine' 0 CA--C 1.521 -0.14 0 CA-C-O 120.972 0.415 . . . . 0.0 110.93 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.412 ' N ' ' O ' ' A' ' 29' ' ' PHE . 54.5 t0 -44.84 110.45 0.23 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.989 179.763 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 52.4 m -62.06 -9.88 8.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.251 0.548 . . . . 0.0 109.743 179.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.55 ' HB2' ' OE1' ' A' ' 44' ' ' GLU . 53.5 t0 -98.89 -23.33 15.39 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.279 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.1 m120 52.84 19.38 1.29 Allowed 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 -179.232 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 79.8 p -81.31 -14.17 57.63 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 121.466 0.65 . . . . 0.0 109.378 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.689 ' HA2' ' HB2' ' A' ' 25' ' ' LEU . . . 104.86 10.12 33.3 Favored Glycine 0 N--CA 1.45 -0.424 0 CA-C-N 114.814 -1.084 . . . . 0.0 112.092 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 35.8 m -141.53 131.08 23.9 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.623 -0.288 . . . . 0.0 110.253 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 96.7 mt -105.27 121.46 57.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 120.909 -0.317 . . . . 0.0 111.15 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.573 HG22 ' HB ' ' A' ' 75' ' ' THR . 63.2 p -111.95 136.54 51.15 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.188 179.408 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -34.72 -50.1 0.45 Allowed 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 123.25 0.62 . . . . 0.0 111.906 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -48.07 -44.29 31.33 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.135 0.493 . . . . 0.0 110.259 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.55 ' OE1' ' HB2' ' A' ' 35' ' ' ASP . 29.5 mt-10 -82.44 -35.12 27.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.479 179.336 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.594 ' CD2' ' HB2' ' A' ' 65' ' ' MET . 41.4 tp -48.82 -54.86 13.45 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.035 -179.364 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.797 ' HG2' HG21 ' A' ' 61' ' ' ILE . 8.1 mtpm? -50.57 -47.75 57.82 Favored 'General case' 0 C--O 1.224 -0.245 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.237 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.5 ' HA ' ' HB3' ' A' ' 50' ' ' LYS . 8.7 t70 -50.1 -17.11 0.37 Allowed 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.513 -179.707 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -69.67 -54.98 10.48 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.944 -0.646 . . . . 0.0 111.568 179.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.47 ' C ' HD13 ' A' ' 56' ' ' LEU . 87.1 mt -89.69 -13.21 37.43 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 178.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.5 ' HB3' ' HA ' ' A' ' 47' ' ' ASP . 88.4 tttt -86.21 -21.76 27.29 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.805 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 30.2 tpt180 -45.1 -33.16 2.04 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.986 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.0 m -105.5 -28.92 2.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.144 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 56.51 48.21 78.14 Favored Glycine 0 C--N 1.331 0.284 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.637 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 46.9 t -72.92 -83.93 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.785 0.326 . . . . 0.0 110.933 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -145.87 22.92 1.41 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.618 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.669 HD23 ' H ' ' A' ' 56' ' ' LEU . 1.8 pt? -55.92 164.19 1.26 Allowed 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 121.396 0.617 . . . . 0.0 111.681 -179.621 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.42 ' C ' ' H ' ' A' ' 59' ' ' SER . 21.4 ptp -126.11 122.65 36.35 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.861 178.752 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -53.33 -9.16 0.15 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.428 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.42 ' H ' ' C ' ' A' ' 57' ' ' MET . 48.2 t -76.24 -41.22 49.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.386 -179.279 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.622 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 69.6 mm-40 -73.5 -16.3 61.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.867 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.797 HG21 ' HG2' ' A' ' 46' ' ' LYS . 16.5 mt -86.37 -47.09 16.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.021 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.659 ' HD3' ' N ' ' A' ' 63' ' ' ASP . 0.0 OUTLIER -73.42 -30.6 63.33 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.87 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.659 ' N ' ' HD3' ' A' ' 62' ' ' LYS . 60.0 t0 -79.37 -19.14 50.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.342 0.591 . . . . 0.0 109.527 179.243 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.622 ' HB2' ' O ' ' A' ' 60' ' ' GLU . 36.6 tp -86.22 -30.11 22.64 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.208 179.653 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.594 ' HB2' ' CD2' ' A' ' 45' ' ' LEU . 10.2 tmm? -89.01 -64.99 1.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.22 -179.623 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.541 ' HA ' ' OD1' ' A' ' 69' ' ' ASP . 63.6 t0 -54.7 -62.01 1.93 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.167 -178.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.589 ' HB3' ' O ' ' A' ' 63' ' ' ASP . . . -59.43 -7.31 1.32 Allowed 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -178.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -106.01 -20.89 13.29 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.815 0.302 . . . . 0.0 111.815 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.67 ' HB3' ' HB ' ' A' ' 76' ' ' ILE . 1.4 p-10 -110.33 131.07 55.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.986 0.422 . . . . 0.0 110.154 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.53 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 9.1 tp -84.58 -29.01 6.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.966 -178.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.426 ' HB2' 'CA ' ' A' ' 89' ' ' ' CA' . 66.3 m-20 -56.48 -24.97 49.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.955 -179.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.608 ' NZ ' ' HB3' ' A' ' 72' ' ' LYS . 2.7 mmmp? 57.62 15.16 2.7 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-O 121.324 0.583 . . . . 0.0 109.652 -179.266 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 78.6 p -78.34 -5.61 52.69 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.095 -0.957 . . . . 0.0 111.569 -179.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 98.45 -14.29 62.24 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.097 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.573 ' HB ' HG22 ' A' ' 41' ' ' THR . 9.8 t -117.46 177.7 4.65 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 179.473 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.67 ' HB ' ' HB3' ' A' ' 69' ' ' ASP . 12.1 tt -157.79 145.08 9.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 CA-C-O 121.217 0.532 . . . . 0.0 112.299 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.577 ' OD1' ' HB2' ' A' ' 80' ' ' GLU . 6.6 p-10 -120.33 169.27 10.44 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.314 178.707 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.462 ' CG ' ' HA3' ' A' ' 24' ' ' GLY . 7.1 t80 -64.88 -40.63 95.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.903 0.383 . . . . 0.0 111.358 -178.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.418 ' O ' ' HB2' ' A' ' 83' ' ' ALA . . . -74.43 -13.77 81.43 Favored Glycine 0 N--CA 1.453 -0.23 0 CA-C-N 115.915 -0.584 . . . . 0.0 113.054 -179.245 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.577 ' HB2' ' OD1' ' A' ' 77' ' ' ASP . 88.4 tt0 -79.45 -55.02 5.36 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.97 0.414 . . . . 0.0 110.793 -179.513 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -50.93 -36.08 36.66 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.231 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.419 HG12 ' OE2' ' A' ' 20' ' ' GLU . 8.1 tp -87.86 -22.97 6.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.361 -179.731 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.418 ' HB2' ' O ' ' A' ' 79' ' ' GLY . . . -53.28 -27.2 21.51 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.49 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -74.56 89.82 2.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.075 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 7.3 t -161.86 155.55 21.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.949 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 12.1 p -171.16 148.78 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.986 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 39.4 m170 . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.215 -0.898 . . . . 0.0 110.805 179.869 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ' CA' . . . . . 0.426 'CA ' ' HB2' ' A' ' 71' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 79.6 t60 . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.822 0.344 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.4 p -64.56 159.65 21.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.923 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.4 t -92.93 0.64 57.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.022 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.12 -6.11 75.78 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.394 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 71.3 t60 -135.55 38.13 2.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.264 0.554 . . . . 0.0 110.24 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 48.8 mm -91.66 110.13 22.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.692 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.743 ' HA ' ' HB2' ' A' ' 11' ' ' LYS . 2.6 p30 -80.23 37.42 0.38 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.416 -179.639 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -132.76 23.84 4.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.977 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -160.18 -89.08 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.368 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -85.35 -25.02 27.36 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.839 0.352 . . . . 0.0 111.438 -179.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.743 ' HB2' ' HA ' ' A' ' 7' ' ' ASP . 3.3 mmmp? -88.31 -9.93 51.18 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.719 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.556 ' O ' ' HG2' ' A' ' 16' ' ' ARG . 18.7 t-160 -81.56 -39.78 24.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.646 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.472 ' HA ' ' CG ' ' A' ' 16' ' ' ARG . 64.9 mtt -61.25 -10.87 7.61 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.461 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.58 -40.79 96.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.437 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.8 pm0 -110.91 4.63 19.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.831 -179.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.556 ' HG2' ' O ' ' A' ' 12' ' ' HIS . 20.9 mmm180 -62.08 -36.35 81.42 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.626 0.25 . . . . 0.0 111.122 179.65 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.47 ' N ' HD12 ' A' ' 17' ' ' LEU . 6.8 mp -62.74 137.79 58.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.846 0.355 . . . . 0.0 110.716 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.487 ' O ' HG12 ' A' ' 22' ' ' ILE . 76.5 p -134.19 107.76 7.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.02 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.454 ' H ' ' CD ' ' A' ' 19' ' ' GLU . 0.5 OUTLIER -61.48 -7.31 3.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.089 179.787 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.567 ' HB2' ' HA3' ' A' ' 79' ' ' GLY . 39.3 tt0 -40.61 -44.49 2.13 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.701 -179.562 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.96 ' HB3' HD22 ' A' ' 25' ' ' LEU . 3.4 mp0 -131.45 30.79 4.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.738 0.304 . . . . 0.0 111.146 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.487 HG12 ' O ' ' A' ' 18' ' ' SER . 46.0 mm -95.97 -59.48 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -179.541 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -95.79 -65.63 0.96 Allowed Glycine 0 C--N 1.332 0.329 0 C-N-CA 120.268 -0.968 . . . . 0.0 114.563 -178.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.82 -31.38 75.63 Favored Glycine 0 N--CA 1.453 -0.189 0 C-N-CA 120.999 -0.62 . . . . 0.0 113.993 -178.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.96 HD22 ' HB3' ' A' ' 21' ' ' GLU . 31.3 tp -41.58 -24.09 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 113.059 0.763 . . . . 0.0 113.059 -178.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.646 ' HB2' ' NZ ' ' A' ' 26' ' ' LYS . 4.8 ttmp? -90.73 -68.17 0.8 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 -178.216 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -89.44 -68.26 0.79 Allowed 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 -177.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.454 HD22 ' N ' ' A' ' 28' ' ' LEU . 3.5 mm? -60.14 -66.38 0.53 Allowed 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 113.301 0.852 . . . . 0.0 113.301 -177.249 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.468 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 3.6 t80 -43.55 -46.05 6.89 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -177.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.489 ' HG2' ' O ' ' A' ' 25' ' ' LEU . 14.3 mmmm -70.52 -29.66 66.22 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -179.29 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 54.6 ttp -89.76 -14.42 34.61 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -178.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.817 HG23 HD11 ' A' ' 40' ' ' ILE . 14.5 tt -92.53 -28.28 4.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.734 0.302 . . . . 0.0 111.61 -178.714 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -89.1 124.99 34.83 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.447 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 89.3 m -65.03 -15.04 61.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.149 0.499 . . . . 0.0 110.124 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -100.57 -19.73 16.01 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.691 -0.686 . . . . 0.0 112.197 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 49.56 22.28 0.73 Allowed 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 81.0 p -84.65 -15.88 43.86 Favored 'General case' 0 CA--C 1.511 -0.528 0 CA-C-O 121.52 0.676 . . . . 0.0 109.318 -179.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.24 25.19 7.17 Favored Glycine 0 N--CA 1.449 -0.456 0 CA-C-N 114.788 -1.096 . . . . 0.0 111.76 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 54.7 m -161.62 132.96 5.36 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.558 -0.321 . . . . 0.0 110.41 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.817 HD11 HG23 ' A' ' 32' ' ' ILE . 50.4 mt -104.96 150.67 7.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.936 0.398 . . . . 0.0 111.217 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.562 ' O ' ' N ' ' A' ' 45' ' ' LEU . 21.3 m -133.77 165.69 24.39 Favored 'General case' 0 C--O 1.22 -0.453 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 179.236 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -59.6 -54.24 48.82 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 122.519 0.328 . . . . 0.0 111.151 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -55.51 -29.99 59.86 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.317 0.58 . . . . 0.0 109.673 179.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -89.24 -22.9 22.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.579 179.015 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.562 ' N ' ' O ' ' A' ' 41' ' ' THR . 59.2 tp -66.93 -64.25 0.89 Allowed 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.039 -0.982 . . . . 0.0 111.005 -179.331 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.669 ' HA ' HD13 ' A' ' 61' ' ' ILE . 14.2 ptmm? -55.76 -38.38 69.76 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.475 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -66.11 -16.64 64.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.088 0.471 . . . . 0.0 110.461 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -89.03 -41.37 5.91 Favored Glycine 0 N--CA 1.45 -0.4 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.258 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.726 HD11 HD12 ' A' ' 56' ' ' LEU . 7.8 tt -77.16 -20.37 55.59 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 178.5 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -84.74 -36.46 21.77 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.264 179.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 55.1 ttp180 -51.04 -30.64 16.11 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.962 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 34.4 m -88.97 -30.79 5.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.899 179.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 67.73 49.07 52.05 Favored Glycine 0 C--N 1.332 0.329 0 C-N-CA 120.708 -0.758 . . . . 0.0 113.032 179.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 60.3 m -60.67 -101.15 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.757 0.279 . . . . 0.0 110.913 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -175.38 42.36 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.771 0.319 . . . . 0.0 110.847 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.726 HD12 HD11 ' A' ' 49' ' ' LEU . 16.5 mt -111.89 178.75 4.21 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 121.281 0.562 . . . . 0.0 111.281 -179.677 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.466 ' C ' ' H ' ' A' ' 59' ' ' SER . 50.3 tpp -107.16 125.21 50.79 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.281 178.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.513 ' HA ' HD12 ' A' ' 61' ' ' ILE . 11.9 pm0 -50.47 -10.68 0.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.18 0.514 . . . . 0.0 111.564 -179.617 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.588 ' O ' ' HG3' ' A' ' 62' ' ' LYS . 53.9 m -67.4 -44.9 77.72 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.371 -179.575 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.503 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 43.5 tt0 -68.23 -20.07 64.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.855 0.36 . . . . 0.0 110.209 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.669 HD13 ' HA ' ' A' ' 46' ' ' LYS . 46.9 mt -69.11 -37.74 77.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.491 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.588 ' HG3' ' O ' ' A' ' 59' ' ' SER . 0.0 OUTLIER -73.41 -35.94 65.91 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.667 0.27 . . . . 0.0 110.576 -179.704 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -78.89 -24.26 44.29 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 121.135 0.493 . . . . 0.0 109.734 179.012 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.503 ' HB2' ' O ' ' A' ' 60' ' ' GLU . 34.7 tp -75.0 -29.6 60.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.85 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 13.2 tmm? -82.64 -45.36 14.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.95 -179.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -63.4 -52.51 61.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.352 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.38 -7.47 31.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.846 -179.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.554 ' HB1' ' HD1' ' A' ' 81' ' ' PHE . . . -94.81 -48.77 5.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.78 0.324 . . . . 0.0 111.469 -179.727 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -94.49 118.71 32.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.077 0.465 . . . . 0.0 110.893 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.451 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 14.4 tt -83.58 -19.86 9.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.533 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.579 ' HB2' ' OE2' ' A' ' 80' ' ' GLU . 58.2 t0 -64.24 -13.0 46.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.309 179.612 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.451 ' HG2' ' O ' ' A' ' 70' ' ' ILE . 45.4 mmtm 46.73 28.02 0.75 Allowed 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.925 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 81.0 p -94.17 -1.37 54.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.055 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 90.01 -16.28 57.41 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.442 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.469 HG22 ' OG1' ' A' ' 41' ' ' THR . 69.3 p -110.75 127.63 55.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.857 0.36 . . . . 0.0 110.812 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.42 HD11 ' HB2' ' A' ' 81' ' ' PHE . 6.7 tp -98.47 140.57 17.95 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.481 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.492 ' HB3' ' HG3' ' A' ' 20' ' ' GLU . 56.3 m-20 -128.49 152.85 47.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.471 179.505 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.445 ' CB ' ' HA ' ' A' ' 20' ' ' GLU . 3.9 m-30 -60.33 -14.02 16.12 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.756 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.567 ' HA3' ' HB2' ' A' ' 20' ' ' GLU . . . -88.23 -40.87 6.37 Favored Glycine 0 N--CA 1.453 -0.185 0 C-N-CA 120.571 -0.823 . . . . 0.0 112.956 -179.732 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.579 ' OE2' ' HB2' ' A' ' 71' ' ' ASP . 51.1 mt-10 -88.15 -20.92 24.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.864 0.364 . . . . 0.0 111.032 -179.514 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.554 ' HD1' ' HB1' ' A' ' 68' ' ' ALA . 22.9 t80 -60.64 -56.01 26.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.759 179.634 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.403 HD12 ' HB ' ' A' ' 85' ' ' THR . 8.8 tp -75.82 -19.41 15.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.96 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -52.71 -29.84 29.01 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.161 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -125.15 71.07 1.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.842 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.403 ' HB ' HD12 ' A' ' 82' ' ' ILE . 88.5 m -139.75 -29.86 0.72 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.904 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 35.6 m -57.23 143.65 11.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.15 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 23.4 t-80 . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.213 -0.898 . . . . 0.0 110.836 -179.834 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.845 0.355 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.6 p -145.46 143.97 30.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.9 p -105.72 -28.83 10.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.87 46.27 0.18 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.4 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 16.0 m80 -127.03 -170.02 2.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.859 0.362 . . . . 0.0 110.816 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 51.3 mm -59.2 107.37 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.823 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -139.62 -73.85 0.37 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -133.96 -51.05 0.83 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.128 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -172.15 62.46 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.926 0.393 . . . . 0.0 111.366 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -97.64 -64.35 1.05 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.127 0.489 . . . . 0.0 110.846 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.483 ' NZ ' ' HG3' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -89.05 -18.43 27.31 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.129 179.86 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.478 ' CE1' ' HE3' ' A' ' 11' ' ' LYS . 90.8 m-70 -66.42 -20.88 66.18 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.934 -1.03 . . . . 0.0 110.594 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.43 ' HE3' ' HB2' ' A' ' 13' ' ' MET . 63.8 mtm -61.54 -29.87 70.28 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.999 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -94.95 -14.47 24.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.221 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.483 ' HG3' ' NZ ' ' A' ' 11' ' ' LYS . 54.7 mm-40 -93.1 22.68 4.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.943 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.447 ' HG2' HH11 ' A' ' 16' ' ' ARG . 67.8 mtt-85 -80.97 83.38 6.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.888 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.524 HD13 HD11 ' A' ' 22' ' ' ILE . 0.9 OUTLIER -63.32 169.86 3.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.253 179.891 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.52 ' O ' HG12 ' A' ' 22' ' ' ILE . 22.7 t -138.76 -165.47 1.83 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.987 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.543 ' HA ' ' HB ' ' A' ' 22' ' ' ILE . 57.5 mt-10 -51.42 -23.77 4.22 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.648 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.0 tp10 -55.81 -22.85 26.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.2 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.731 ' HA ' ' HB3' ' A' ' 78' ' ' TYR . 88.8 tt0 -124.62 -20.66 5.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.543 ' HB ' ' HA ' ' A' ' 19' ' ' GLU . 49.8 mm -74.71 -24.1 18.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.187 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -52.06 -62.99 5.17 Favored Glycine 0 C--N 1.331 0.259 0 C-N-CA 121.071 -0.585 . . . . 0.0 113.066 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -78.36 -18.01 76.87 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.448 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.824 HD13 ' HA2' ' A' ' 38' ' ' GLY . 29.1 tp -54.88 -21.91 13.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.768 0.318 . . . . 0.0 111.576 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -73.28 -67.7 0.56 Allowed 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -178.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -89.13 -67.71 0.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -178.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 96.0 mt -44.81 -63.72 0.85 Allowed 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 113.29 0.848 . . . . 0.0 113.29 -177.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.573 ' HB2' ' HA ' ' A' ' 25' ' ' LEU . 10.8 m-85 -59.29 -65.21 0.71 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -178.169 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.583 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 27.6 mtpp -41.95 -30.81 0.29 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.897 -178.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 54.7 ttm -89.83 -31.7 17.25 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 47.3 mm -93.87 -65.32 1.12 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.398 0 CA-C-O 121.066 0.46 . . . . 0.0 110.224 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.572 ' HA ' ' OE2' ' A' ' 44' ' ' GLU . 67.8 t0 -48.81 102.45 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.7 179.112 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 90.5 m -59.94 -15.68 23.8 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-O 121.63 0.729 . . . . 0.0 109.385 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.497 ' HB3' ' OG ' ' A' ' 37' ' ' SER . 66.2 m-20 -100.74 -17.78 16.79 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 114.675 -1.148 . . . . 0.0 111.96 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.438 ' ND2' ' HA ' ' A' ' 30' ' ' LYS . 4.1 m120 51.03 17.7 0.47 Allowed 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 -178.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.497 ' OG ' ' HB3' ' A' ' 35' ' ' ASP . 15.9 m -69.84 -15.73 63.15 Favored 'General case' 0 CA--C 1.511 -0.54 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.824 ' HA2' HD13 ' A' ' 25' ' ' LEU . . . 101.29 3.88 53.63 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 114.484 -1.235 . . . . 0.0 111.792 -179.433 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 69.4 p -139.19 136.47 35.08 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.643 ' HA ' ' OE2' ' A' ' 44' ' ' GLU . 59.4 mt -104.1 136.48 37.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.848 -179.633 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.579 HG23 ' O ' ' A' ' 74' ' ' GLY . 15.5 m -131.7 162.45 30.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.355 -179.449 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.562 ' HE1' ' HB ' ' A' ' 61' ' ' ILE . 55.1 t80 -49.24 -32.22 10.23 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 124.035 0.934 . . . . 0.0 112.217 179.68 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -66.5 -58.44 5.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.085 0.469 . . . . 0.0 110.642 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.643 ' OE2' ' HA ' ' A' ' 40' ' ' ILE . 12.6 pt-20 -75.55 -17.31 60.11 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.248 179.681 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.517 HD23 HG22 ' A' ' 61' ' ' ILE . 37.6 tp -55.46 -67.1 0.31 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.117 -179.117 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.833 ' HB3' HD13 ' A' ' 61' ' ' ILE . 26.1 pttm -54.96 -38.57 67.94 Favored 'General case' 0 C--O 1.222 -0.366 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.83 -179.24 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.48 ' O ' ' HB2' ' A' ' 51' ' ' ARG . 30.3 m-20 -46.14 -15.02 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 -179.559 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 46' ' ' LYS . . . -86.65 -60.3 1.72 Allowed Glycine 0 N--CA 1.453 -0.194 0 C-N-CA 120.733 -0.746 . . . . 0.0 113.437 -178.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 87.1 mt -85.27 -21.37 29.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.142 0.496 . . . . 0.0 110.759 -179.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.843 ' HE3' ' HB3' ' A' ' 56' ' ' LEU . 11.6 mptt -86.78 -15.18 40.1 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.104 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.515 ' HD3' ' C ' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -43.24 -35.9 1.6 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.832 179.685 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 35.5 m -101.35 -22.41 4.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.375 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 59.07 48.26 86.78 Favored Glycine 0 C--N 1.331 0.297 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.222 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 45.5 t -75.56 -84.03 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.782 0.289 . . . . 0.0 111.782 -179.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -115.1 -16.1 11.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.606 -178.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.843 ' HB3' ' HE3' ' A' ' 50' ' ' LYS . 3.0 mm? -49.42 148.64 2.61 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-O 121.472 0.653 . . . . 0.0 112.106 -179.591 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.458 ' C ' ' H ' ' A' ' 59' ' ' SER . 48.6 ttm -126.05 132.7 51.9 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 114.899 -1.046 . . . . 0.0 109.427 178.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.513 ' HA ' ' CD1' ' A' ' 61' ' ' ILE . 38.6 tt0 -51.18 -9.71 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.538 -179.714 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.458 ' H ' ' C ' ' A' ' 57' ' ' MET . 86.4 p -85.13 -41.47 15.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.98 -179.159 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.466 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 44.1 tt0 -64.4 -25.16 67.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.559 0.219 . . . . 0.0 111.058 -179.436 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.833 HD13 ' HB3' ' A' ' 46' ' ' LYS . 3.9 mt -63.15 -24.6 36.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.349 -179.484 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.443 ' HE3' ' O ' ' A' ' 58' ' ' GLU . 29.1 mmtp -70.84 -64.23 0.94 Allowed 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 121.104 0.478 . . . . 0.0 109.748 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.489 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 8.7 t70 -59.42 -17.13 28.08 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 178.274 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.487 ' O ' ' HB2' ' A' ' 68' ' ' ALA . 40.6 tp -80.61 -45.68 16.9 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.514 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.462 ' HG3' ' HB2' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -88.07 -55.77 3.61 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.655 -178.932 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -50.44 -40.71 51.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.452 -179.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.489 ' HB3' ' O ' ' A' ' 63' ' ' ASP . . . -83.09 -17.35 43.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.728 0.299 . . . . 0.0 111.298 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.689 ' HB1' HD12 ' A' ' 76' ' ' ILE . . . -62.65 -56.64 15.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.173 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.576 ' HB2' ' OE1' ' A' ' 80' ' ' GLU . 7.4 p-10 -110.3 127.64 55.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.123 0.487 . . . . 0.0 110.491 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.596 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 15.9 tt -83.91 -14.39 11.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.541 -179.568 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.45 ' HB2' ' OE2' ' A' ' 80' ' ' GLU . 56.9 t0 -59.01 -20.66 55.12 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.45 179.749 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.596 ' HG2' ' O ' ' A' ' 70' ' ' ILE . 34.0 mmtp 58.36 15.24 3.33 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-N 115.987 -0.552 . . . . 0.0 109.943 -179.487 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 87.3 p -77.34 0.74 21.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.371 -0.832 . . . . 0.0 111.382 -179.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.579 ' O ' HG23 ' A' ' 41' ' ' THR . . . 78.23 -3.36 62.48 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.259 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.473 HG22 ' OG1' ' A' ' 41' ' ' THR . 70.3 p -140.44 132.53 27.94 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 179.625 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.689 HD12 ' HB1' ' A' ' 68' ' ' ALA . 15.0 tt -94.58 140.62 16.36 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 CA-C-O 121.091 0.472 . . . . 0.0 111.73 -179.33 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -110.76 167.96 9.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.248 179.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.731 ' HB3' ' HA ' ' A' ' 21' ' ' GLU . 33.2 t80 -73.24 -32.35 64.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.169 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -74.16 -26.4 68.6 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.776 -0.726 . . . . 0.0 113.113 -179.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.576 ' OE1' ' HB2' ' A' ' 69' ' ' ASP . 34.2 tt0 -88.49 -43.11 11.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.913 0.387 . . . . 0.0 110.764 -179.775 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.514 ' HB2' HD11 ' A' ' 76' ' ' ILE . 28.9 t80 -57.38 -42.64 82.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.145 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 13.8 tt -66.31 -30.76 50.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.393 -179.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.74 -30.86 70.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.343 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -126.98 104.77 8.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.186 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 8.4 t -144.23 -33.86 0.39 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 46.4 t 57.0 92.91 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.435 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 75.5 t60 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.886 179.8 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 22.0 m80 . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 120.843 0.354 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.9 t -78.16 145.58 35.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.2 t -63.03 -17.73 62.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.49 105.43 0.21 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.497 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 10.8 p80 -76.77 -1.32 27.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.84 0.352 . . . . 0.0 110.915 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 62.2 mt -99.68 81.22 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.613 179.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -167.91 -55.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.574 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -118.59 145.02 45.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.869 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -93.84 33.06 1.35 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -93.21 -52.24 4.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.798 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.501 ' HD3' ' C ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -82.17 -29.78 31.34 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.589 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.46 ' N ' ' HD3' ' A' ' 11' ' ' LYS . 39.8 t-80 -72.57 -24.06 61.05 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.452 -179.701 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 50.4 ttm -63.54 -30.45 71.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.055 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -93.08 -11.87 31.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.144 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.413 ' C ' ' H ' ' A' ' 17' ' ' LEU . 91.5 mt-10 -126.66 29.27 5.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.871 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.65 22.04 0.1 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.811 -179.712 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.514 ' N ' HD22 ' A' ' 17' ' ' LEU . 2.8 mm? -71.15 146.21 49.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.759 0.314 . . . . 0.0 110.697 179.696 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.483 ' HB3' ' HG2' ' A' ' 20' ' ' GLU . 55.6 m -102.4 86.51 2.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.913 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.453 ' H ' ' CD ' ' A' ' 19' ' ' GLU . 0.5 OUTLIER -65.05 -14.68 61.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.818 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.804 ' HB2' HD11 ' A' ' 82' ' ' ILE . 24.5 pt-20 -49.15 -28.53 4.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.277 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -130.37 -18.08 3.27 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.332 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 45.3 mm -95.38 -38.16 8.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -179.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.569 ' C ' ' HB2' ' A' ' 28' ' ' LEU . . . -95.88 -64.02 0.96 Allowed Glycine 0 C--N 1.332 0.308 0 C-N-CA 120.619 -0.801 . . . . 0.0 112.868 -179.418 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.531 ' O ' ' HB2' ' A' ' 29' ' ' PHE . . . -55.09 -2.92 0.25 Allowed Glycine 0 N--CA 1.451 -0.349 0 CA-C-N 115.556 -0.322 . . . . 0.0 113.504 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.5 ' C ' HD13 ' A' ' 25' ' ' LEU . 3.2 tm? -82.85 -63.35 1.38 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 117.327 0.563 . . . . 0.0 111.943 -178.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -92.53 -69.54 0.74 Allowed 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 114.774 1.398 . . . . 0.0 114.774 -177.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -89.51 -67.88 0.81 Allowed 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 -176.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.569 ' HB2' ' C ' ' A' ' 23' ' ' GLY . 3.8 mm? -38.37 -35.87 0.2 Allowed 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 -177.465 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.531 ' HB2' ' O ' ' A' ' 24' ' ' GLY . 0.5 OUTLIER -55.27 -58.09 9.14 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.914 0.388 . . . . 0.0 111.264 -179.699 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -70.84 -21.14 62.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.627 -179.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 25.1 mmt -88.02 -17.51 31.03 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -178.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.515 HG12 ' O ' ' A' ' 28' ' ' LEU . 29.9 mm -93.67 -54.42 7.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.365 0.603 . . . . 0.0 109.796 179.273 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.4 ' OD2' ' N ' ' A' ' 36' ' ' ASN . 12.4 t70 -56.58 105.78 0.24 Allowed 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.988 179.084 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.1 t -56.89 -25.6 57.34 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-O 121.748 0.785 . . . . 0.0 109.61 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -76.72 -24.91 53.07 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.262 -1.335 . . . . 0.0 110.299 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.4 ' N ' ' OD2' ' A' ' 33' ' ' ASP . 5.3 m120 53.37 16.66 0.91 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.002 -179.365 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 70.6 p -77.31 -19.26 56.64 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 107.83 14.57 16.99 Favored Glycine 0 N--CA 1.451 -0.324 0 CA-C-N 114.972 -1.013 . . . . 0.0 112.373 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.522 ' HB ' ' CG2' ' A' ' 75' ' ' THR . 24.2 p -157.44 142.61 17.0 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.481 HD12 ' HE1' ' A' ' 78' ' ' TYR . 84.2 mt -104.58 143.71 15.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.662 0.268 . . . . 0.0 110.966 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.541 ' O ' ' HG2' ' A' ' 44' ' ' GLU . 82.8 p -134.26 145.14 48.83 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.286 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.568 ' HB2' ' HG2' ' A' ' 65' ' ' MET . 35.1 t80 -34.83 -43.25 0.18 Allowed 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 123.333 0.653 . . . . 0.0 112.391 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -48.28 -49.64 32.86 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.935 0.398 . . . . 0.0 110.748 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.541 ' HG2' ' O ' ' A' ' 41' ' ' THR . 12.7 pt-20 -86.61 -33.24 20.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.546 179.596 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.597 HD22 ' HB3' ' A' ' 65' ' ' MET . 48.5 tp -43.64 -62.57 1.05 Allowed 'General case' 0 C--O 1.231 0.131 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.471 -179.594 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.513 ' HB3' HG21 ' A' ' 61' ' ' ILE . 14.1 ptmm? -49.62 -54.49 18.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.901 -179.522 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.641 ' HA ' ' HB3' ' A' ' 50' ' ' LYS . 58.7 m-20 -64.01 -16.07 60.82 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.773 0.32 . . . . 0.0 111.46 -179.589 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -74.88 -43.58 27.29 Favored Glycine 0 CA--C 1.505 -0.533 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.618 ' HG ' HD23 ' A' ' 56' ' ' LEU . 28.8 tp -89.43 -19.38 25.22 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 178.606 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.641 ' HB3' ' HA ' ' A' ' 47' ' ' ASP . 57.4 tptt -79.18 -26.38 42.68 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.994 179.502 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.477 ' HE ' ' HA ' ' A' ' 51' ' ' ARG . 5.6 tpm_? -46.62 -30.04 2.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.088 179.624 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.552 HG22 ' O ' ' A' ' 49' ' ' LEU . 23.8 m -89.9 -31.45 5.27 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.273 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 59.01 49.46 78.26 Favored Glycine 0 C--N 1.332 0.339 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.929 179.35 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 44.6 t -79.78 -99.13 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.825 0.312 . . . . 0.0 110.851 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -141.16 54.1 1.56 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.987 0.422 . . . . 0.0 110.071 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.618 HD23 ' HG ' ' A' ' 49' ' ' LEU . 1.1 pp -103.57 164.45 11.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.462 0.649 . . . . 0.0 112.568 -179.007 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.446 ' HG3' ' HG2' ' A' ' 60' ' ' GLU . 21.1 ptm -126.53 120.9 30.8 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.934 -1.03 . . . . 0.0 109.644 178.712 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -55.23 -9.71 0.46 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.77 -179.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.5 t -75.67 -28.78 58.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.338 -179.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.446 ' HG2' ' HG3' ' A' ' 57' ' ' MET . 58.5 mm-40 -89.16 -17.81 28.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.96 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.513 HG21 ' HB3' ' A' ' 46' ' ' LYS . 41.2 mm -69.45 -39.93 79.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.75 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.586 ' HD2' ' N ' ' A' ' 63' ' ' ASP . 0.0 OUTLIER -75.81 -27.7 58.02 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.997 0.427 . . . . 0.0 110.524 179.823 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.586 ' N ' ' HD2' ' A' ' 62' ' ' LYS . 8.9 t70 -86.26 -18.86 30.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.108 179.523 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.435 ' HB2' ' O ' ' A' ' 60' ' ' GLU . 41.8 tp -78.52 -44.41 24.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.416 179.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.597 ' HB3' HD22 ' A' ' 45' ' ' LEU . 3.7 ppp? -73.4 -19.78 60.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.979 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -84.07 -40.4 18.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.805 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -79.77 -46.94 16.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.265 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.74 -53.68 55.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.222 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.494 ' HB2' ' HB ' ' A' ' 76' ' ' ILE . 4.4 t70 -83.53 114.57 21.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.078 0.466 . . . . 0.0 110.697 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.563 HG21 ' HA ' ' A' ' 84' ' ' ALA . 14.2 tt -85.25 -20.63 8.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.024 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.525 ' O ' ' HG3' ' A' ' 72' ' ' LYS . 29.9 t70 -63.76 -10.45 19.8 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.226 -179.655 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.525 ' HG3' ' O ' ' A' ' 71' ' ' ASP . 7.2 pttm 39.92 27.05 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.603 179.675 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 89.2 p -90.72 -0.97 57.87 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.221 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 88.1 -19.15 36.23 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.565 -0.826 . . . . 0.0 111.571 -179.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.522 ' CG2' ' HB ' ' A' ' 39' ' ' THR . 96.7 m -111.33 127.17 55.56 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 179.2 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.494 ' HB ' ' HB2' ' A' ' 69' ' ' ASP . 14.1 tt -114.85 152.51 16.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 -178.167 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.417 ' N ' HG12 ' A' ' 76' ' ' ILE . 1.5 m-20 -131.07 154.63 48.05 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 114.659 -1.155 . . . . 0.0 109.329 178.566 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.548 ' HB3' ' O ' ' A' ' 20' ' ' GLU . 2.2 m-85 -70.63 -20.44 62.73 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.998 -179.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -83.53 -23.58 53.28 Favored Glycine 0 CA--C 1.521 0.442 0 C-N-CA 120.794 -0.717 . . . . 0.0 113.826 -179.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.656 ' HB2' ' O ' ' A' ' 84' ' ' ALA . 15.6 pt-20 -88.15 -36.37 16.89 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 117.221 0.511 . . . . 0.0 111.635 -179.289 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -48.05 -24.2 1.02 Allowed 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.804 HD11 ' HB2' ' A' ' 20' ' ' GLU . 1.9 mp -86.9 -69.49 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -178.818 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -82.14 -67.34 0.79 Allowed 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -178.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.656 ' O ' ' HB2' ' A' ' 80' ' ' GLU . . . -175.14 -77.56 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.766 0.317 . . . . 0.0 111.275 -179.67 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.451 HG22 ' HB2' ' A' ' 71' ' ' ASP . 44.4 p -146.33 -80.31 0.16 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.942 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 7.2 p -173.74 130.37 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.949 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 41.9 m170 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.889 -179.876 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 18.6 m80 . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.807 0.337 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.7 m -150.54 -171.5 3.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.7 p -96.78 17.9 15.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.43 154.59 6.51 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.398 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 17.1 m80 -97.75 81.12 2.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.839 0.352 . . . . 0.0 110.867 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.476 HG22 ' H ' ' A' ' 8' ' ' ASP . 66.4 mt -106.19 122.86 60.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.978 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.893 ' HA ' ' HB2' ' A' ' 11' ' ' LYS . 53.0 p-10 -86.11 36.82 0.69 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.023 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.476 ' H ' HG22 ' A' ' 6' ' ' ILE . 49.6 m-20 -125.05 15.31 8.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.365 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -157.06 -85.74 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 111.788 0.292 . . . . 0.0 111.788 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -77.55 -32.64 54.02 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.909 0.385 . . . . 0.0 111.433 -179.085 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.893 ' HB2' ' HA ' ' A' ' 7' ' ' ASP . 2.7 mmmp? -86.85 -10.4 53.51 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.753 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 19.2 t-160 -87.03 -43.15 12.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.587 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 27.4 ttt -62.72 -18.11 61.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.977 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.73 -19.77 28.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.076 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -121.61 14.07 10.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.866 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.436 ' O ' ' HD2' ' A' ' 16' ' ' ARG . 6.0 ppt_? -53.22 162.64 0.68 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.482 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 66.9 mt -58.84 132.54 54.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.209 -179.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.522 ' O ' HG12 ' A' ' 22' ' ' ILE . 47.2 t -134.88 89.56 2.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.772 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -80.92 -9.3 59.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.265 -179.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -66.77 -14.94 63.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.151 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.473 ' O ' HD23 ' A' ' 25' ' ' LEU . 41.3 tt0 -122.8 0.17 9.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.063 -179.554 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.522 HG12 ' O ' ' A' ' 18' ' ' SER . 49.1 mm -95.91 -37.07 7.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -179.639 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.574 ' HA3' HD22 ' A' ' 28' ' ' LEU . . . -95.71 -49.93 2.06 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.572 -0.823 . . . . 0.0 113.567 -178.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.754 ' HA2' ' HB2' ' A' ' 29' ' ' PHE . . . -57.67 -10.82 6.69 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 121.05 -0.595 . . . . 0.0 113.566 -178.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.473 HD23 ' O ' ' A' ' 21' ' ' GLU . 4.3 mm? -88.35 -59.6 2.19 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -179.646 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.454 ' O ' ' HB2' ' A' ' 30' ' ' LYS . 66.7 mttm -92.29 -68.78 0.78 Allowed 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 115.46 1.652 . . . . 0.0 115.46 -177.133 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -90.32 -69.62 0.72 Allowed 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 116.163 1.912 . . . . 0.0 116.163 -175.176 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.574 HD22 ' HA3' ' A' ' 23' ' ' GLY . 10.1 mp -38.51 -64.1 0.45 Allowed 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 -175.72 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.754 ' HB2' ' HA2' ' A' ' 24' ' ' GLY . 2.1 t80 -71.53 -57.59 4.28 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -177.463 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.521 ' HD3' ' HA2' ' A' ' 38' ' ' GLY . 73.9 mmtt -47.85 -25.53 1.33 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -178.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 50.5 ttm -90.15 -22.56 21.67 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 112.534 0.568 . . . . 0.0 112.534 -178.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.794 HG23 HD11 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -91.72 -39.85 11.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.549 0.214 . . . . 0.0 110.886 -179.242 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.415 ' HA ' HG12 ' A' ' 40' ' ' ILE . 30.4 t70 -53.49 126.09 20.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.916 0.389 . . . . 0.0 110.443 179.585 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 89.3 m -61.93 -15.83 46.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.111 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.412 ' HB2' ' OD2' ' A' ' 33' ' ' ASP . 71.7 m-20 -104.42 -13.76 15.97 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.662 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 71.6 m-20 53.2 16.77 0.86 Allowed 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 -179.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 59.7 p -80.01 -19.07 48.62 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.752 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.521 ' HA2' ' HD3' ' A' ' 30' ' ' LYS . . . 107.01 0.59 35.93 Favored Glycine 0 N--CA 1.452 -0.266 0 CA-C-N 115.21 -0.904 . . . . 0.0 112.726 179.651 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.562 ' HB ' ' HB ' ' A' ' 75' ' ' THR . 75.5 p -139.05 131.59 28.74 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 179.566 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.794 HD11 HG23 ' A' ' 32' ' ' ILE . 72.8 mt -104.31 140.74 21.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.992 -179.608 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.5 ' O ' ' N ' ' A' ' 45' ' ' LEU . 2.1 t -116.24 165.01 13.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.01 0.433 . . . . 0.0 111.401 179.732 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.4 ' HB2' ' HG3' ' A' ' 65' ' ' MET . 28.1 t80 -37.65 -61.54 0.61 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.83 -1.077 . . . . 0.0 112.6 179.767 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.567 ' HA ' ' HE2' ' A' ' 46' ' ' LYS . 8.5 t70 -51.4 -38.69 54.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.853 0.358 . . . . 0.0 111.147 -179.308 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 77.5 mt-10 -89.29 -14.03 36.7 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.863 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 41' ' ' THR . 42.5 tp -72.49 -49.75 30.84 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.584 -179.776 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.567 ' HE2' ' HA ' ' A' ' 43' ' ' ASP . 59.4 pttt -60.29 -22.17 62.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.619 -0.718 . . . . 0.0 111.182 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.743 ' HA ' ' HB3' ' A' ' 50' ' ' LYS . 33.3 t70 -56.49 -17.44 8.3 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.033 0.444 . . . . 0.0 110.398 179.644 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -70.43 -48.64 35.95 Favored Glycine 0 N--CA 1.45 -0.429 0 N-CA-C 111.101 -0.8 . . . . 0.0 111.101 179.15 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.565 ' O ' HD23 ' A' ' 56' ' ' LEU . 2.9 mm? -89.96 -13.95 35.1 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 178.621 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.743 ' HB3' ' HA ' ' A' ' 47' ' ' ASP . 87.4 tttt -75.54 -38.71 59.1 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.546 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 56.7 ttp180 -44.91 -38.15 4.45 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.303 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 35.5 m -89.67 -30.35 5.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.154 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 45.42 48.29 11.54 Favored Glycine 0 C--N 1.333 0.37 0 CA-C-N 116.147 -0.479 . . . . 0.0 113.287 179.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 46.0 t -79.64 -81.93 0.11 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.86 0.362 . . . . 0.0 110.739 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.416 ' O ' ' HG2' ' A' ' 55' ' ' GLU . 86.3 tt0 -150.32 39.85 0.76 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.397 0.618 . . . . 0.0 109.788 179.562 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.565 HD23 ' O ' ' A' ' 49' ' ' LEU . 1.9 pp -60.55 178.4 0.22 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.976 -179.518 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.459 ' HG2' ' H ' ' A' ' 59' ' ' SER . 49.0 ttm -126.34 107.18 10.06 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.01 -0.996 . . . . 0.0 109.569 178.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -58.17 -12.81 3.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.132 0.492 . . . . 0.0 110.231 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.459 ' H ' ' HG2' ' A' ' 57' ' ' MET . 47.4 t -87.68 -27.97 22.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.728 179.406 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.437 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 44.8 tt0 -70.2 -33.11 71.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.692 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.506 HG21 ' HB3' ' A' ' 46' ' ' LYS . 35.2 mm -59.75 -18.77 15.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.734 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 26.6 mmmt -73.99 -65.01 0.89 Allowed 'General case' 0 CA--C 1.513 -0.463 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 179.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -57.6 -17.17 12.93 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 178.001 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.67 ' O ' ' HB2' ' A' ' 68' ' ' ALA . 5.0 tt -86.28 -35.34 19.99 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.453 179.767 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.4 ' HG3' ' HB2' ' A' ' 42' ' ' PHE . 11.4 tmm? -87.79 -57.9 2.77 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.204 -179.536 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -48.95 -36.77 18.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.315 -179.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -92.86 -12.53 30.8 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.549 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.957 ' HB1' HD12 ' A' ' 76' ' ' ILE . . . -59.89 -57.85 11.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.753 -179.723 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.66 ' HB3' ' HA ' ' A' ' 76' ' ' ILE . 12.5 p-10 -105.56 129.27 53.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.285 0.564 . . . . 0.0 111.233 -179.455 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.685 ' O ' HD13 ' A' ' 70' ' ' ILE . 0.2 OUTLIER -83.61 -12.73 11.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.062 179.624 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -69.0 -11.24 60.6 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.925 -1.034 . . . . 0.0 110.478 179.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.626 ' HD3' ' O ' ' A' ' 70' ' ' ILE . 0.5 OUTLIER 43.08 30.24 0.25 Allowed 'General case' 0 CA--C 1.522 -0.126 0 CA-C-O 121.117 0.484 . . . . 0.0 111.396 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 93.0 p -93.49 -0.39 56.4 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.925 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 87.26 -7.88 78.99 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.503 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.562 ' HB ' ' HB ' ' A' ' 39' ' ' THR . 73.5 p -124.0 131.24 53.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.843 0.354 . . . . 0.0 110.887 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.957 HD12 ' HB1' ' A' ' 68' ' ' ALA . 9.3 tt -90.37 148.62 4.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.481 -179.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -131.07 149.37 52.64 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.516 -0.766 . . . . 0.0 109.551 179.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.598 ' CB ' ' HA3' ' A' ' 24' ' ' GLY . 6.1 t80 -51.47 -41.0 60.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.752 0.31 . . . . 0.0 111.56 -179.24 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -72.57 -26.13 72.45 Favored Glycine 0 CA--C 1.517 0.178 0 C-N-CA 120.964 -0.636 . . . . 0.0 113.116 -179.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.427 ' OE1' ' HB2' ' A' ' 69' ' ' ASP . 94.5 mt-10 -88.12 -23.03 23.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.911 0.386 . . . . 0.0 111.075 -179.757 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -66.19 -33.61 76.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.9 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 13.7 tt -84.57 -28.09 6.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.057 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.33 -27.37 35.45 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.986 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -88.52 -89.01 0.14 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.945 179.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 94.0 m -158.66 143.92 16.35 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.786 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 35.3 m -94.43 -169.53 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.937 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 43.7 m170 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.285 -0.864 . . . . 0.0 110.759 179.786 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.81 0.338 . . . . 0.0 111.261 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.6 m -105.47 158.25 16.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.725 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.7 p -88.93 19.64 4.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.988 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.94 154.91 2.76 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.463 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 19.9 m80 -113.16 41.18 2.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.868 0.366 . . . . 0.0 110.937 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 63.6 mt -67.95 88.85 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.79 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -165.95 -80.89 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -166.79 26.08 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.029 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -92.66 -90.24 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.702 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -98.78 -13.51 20.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.006 0.432 . . . . 0.0 110.664 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.4 mmtm -87.22 -9.14 55.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.281 -179.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.707 ' HB2' HD23 ' A' ' 17' ' ' LEU . 9.4 p-80 -64.77 -29.65 70.63 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-O 121.289 0.566 . . . . 0.0 109.889 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.579 ' HG3' HD13 ' A' ' 22' ' ' ILE . 55.7 ttp -87.4 -8.6 56.37 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.83 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.96 -19.41 23.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.912 -179.523 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.794 ' HG3' ' H ' ' A' ' 16' ' ' ARG . 13.1 pt-20 -91.58 -90.52 0.16 Allowed 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 120.6 0.238 . . . . 0.0 111.639 -179.551 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.794 ' H ' ' HG3' ' A' ' 15' ' ' GLU . 58.9 mtt85 -151.52 -11.52 0.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.092 -179.68 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.707 HD23 ' HB2' ' A' ' 12' ' ' HIS . 30.4 tp -62.33 104.92 0.54 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.082 0.467 . . . . 0.0 111.46 -179.044 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 80.2 p -147.73 107.59 4.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.776 179.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.599 ' HB3' ' OE2' ' A' ' 20' ' ' GLU . 88.9 tt0 -57.11 -61.13 2.67 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.615 -178.613 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.599 ' OE2' ' HB3' ' A' ' 19' ' ' GLU . 2.0 pm0 -92.96 -68.28 0.81 Allowed 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 120.613 -0.435 . . . . 0.0 111.884 179.301 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 1.044 ' HB3' ' HB2' ' A' ' 78' ' ' TYR . 17.1 tp10 -177.86 25.31 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 121.147 0.498 . . . . 0.0 110.026 179.361 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.579 HD13 ' HG3' ' A' ' 13' ' ' MET . 2.6 pp -50.97 -12.75 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.326 -179.391 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.578 ' N ' HD12 ' A' ' 22' ' ' ILE . . . -54.47 -40.54 69.73 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.97 -0.633 . . . . 0.0 112.887 -179.702 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.425 ' HA3' HD21 ' A' ' 28' ' ' LEU . . . -92.93 -4.63 64.92 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.803 -179.801 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.549 ' C ' HD13 ' A' ' 25' ' ' LEU . 2.4 tm? -54.81 -43.83 73.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.751 0.31 . . . . 0.0 111.625 -179.637 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.95 ' HA ' ' HE3' ' A' ' 30' ' ' LYS . 6.5 ttpm? -76.41 -30.73 57.57 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -178.201 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -89.01 -68.94 0.74 Allowed 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 -177.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.833 ' H ' HD23 ' A' ' 28' ' ' LEU . 0.8 OUTLIER -90.73 -56.47 3.17 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 114.511 1.3 . . . . 0.0 114.511 -177.427 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.545 ' HB2' ' HA ' ' A' ' 25' ' ' LEU . 0.9 OUTLIER -37.36 -65.25 0.32 Allowed 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 -176.833 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.95 ' HE3' ' HA ' ' A' ' 26' ' ' LYS . 10.4 mtmp? -53.42 -44.36 68.73 Favored 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 111.738 0.273 . . . . 0.0 111.738 -179.262 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 44.5 tpp -56.29 -21.57 24.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.807 0.337 . . . . 0.0 111.111 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 48.9 mm -93.5 -59.01 3.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.244 0.545 . . . . 0.0 110.43 179.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.518 ' OD2' ' HB3' ' A' ' 35' ' ' ASP . 30.8 t70 -57.6 111.35 1.09 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.201 -0.908 . . . . 0.0 110.794 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 60.8 m -61.99 -9.85 8.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.09 0.471 . . . . 0.0 110.134 179.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.518 ' HB3' ' OD2' ' A' ' 33' ' ' ASP . 53.6 t0 -94.31 -23.06 17.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.644 -179.619 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.6 m120 54.67 15.23 1.02 Allowed 'General case' 0 C--O 1.231 0.092 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.112 -179.229 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 81.0 p -80.9 -21.28 40.72 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-O 121.201 0.524 . . . . 0.0 110.007 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.463 ' HA2' HD21 ' A' ' 25' ' ' LEU . . . 109.33 10.73 23.28 Favored Glycine 0 N--CA 1.452 -0.284 0 CA-C-N 115.341 -0.845 . . . . 0.0 112.138 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 52.5 p -151.35 134.54 15.98 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.569 ' HB ' HG23 ' A' ' 76' ' ' ILE . 80.7 mt -103.75 149.3 7.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.743 0.306 . . . . 0.0 111.001 -179.741 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.786 HG22 HG22 ' A' ' 75' ' ' THR . 82.0 p -136.4 141.57 43.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.241 179.496 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.503 ' CZ ' ' HB3' ' A' ' 62' ' ' LYS . 26.0 t80 -38.5 -35.01 0.16 Allowed 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -58.53 -50.2 74.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.007 0.432 . . . . 0.0 110.428 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.484 ' OE1' ' HB2' ' A' ' 35' ' ' ASP . 13.0 pt-20 -86.81 -17.14 34.15 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.628 179.404 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.588 HD22 ' HB3' ' A' ' 65' ' ' MET . 20.9 tp -59.69 -61.37 2.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.844 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.726 ' HB3' HG21 ' A' ' 61' ' ' ILE . 22.1 pttp -57.33 -39.87 76.79 Favored 'General case' 0 C--O 1.224 -0.248 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.402 -179.706 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 54.5 t0 -51.14 -16.35 0.47 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.843 0.354 . . . . 0.0 111.356 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -75.38 -54.76 5.41 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.721 -0.752 . . . . 0.0 111.925 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.532 HD22 ' N ' ' A' ' 49' ' ' LEU . 2.8 mm? -87.25 -13.0 45.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.878 0.37 . . . . 0.0 110.093 179.4 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -77.86 -43.15 31.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.882 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.2 tpp85 -49.76 -35.32 21.93 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.184 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 34.2 m -87.7 -29.99 5.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.228 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 49.08 48.71 31.36 Favored Glycine 0 C--N 1.332 0.354 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.91 179.501 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 42.1 t -86.33 -95.78 0.08 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.699 0.285 . . . . 0.0 110.835 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -135.88 66.61 1.5 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.073 0.463 . . . . 0.0 110.249 179.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.672 HD13 ' H ' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -106.13 177.69 4.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.566 -179.515 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.531 ' O ' HG13 ' A' ' 61' ' ' ILE . 73.0 mtp -125.3 108.02 11.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.223 179.496 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.549 ' HA ' HD12 ' A' ' 61' ' ' ILE . 88.8 tt0 -56.34 -14.72 3.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.154 0.502 . . . . 0.0 109.975 179.453 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 45.2 t -87.63 -41.13 13.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.86 179.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.519 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 44.5 tt0 -67.45 -34.12 76.55 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.557 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.726 HG21 ' HB3' ' A' ' 46' ' ' LYS . 59.0 mt -52.88 -51.66 35.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.503 ' HB3' ' CZ ' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -79.67 -33.58 41.08 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.897 -179.89 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.411 ' N ' ' HD3' ' A' ' 62' ' ' LYS . 85.8 m-20 -68.23 -17.86 64.42 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.057 0.456 . . . . 0.0 110.336 179.041 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.519 ' HB2' ' O ' ' A' ' 60' ' ' GLU . 1.1 tm? -85.51 -53.46 5.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.441 -179.607 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.588 ' HB3' HD22 ' A' ' 45' ' ' LEU . 4.2 ppp? -66.97 -26.02 66.61 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.247 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -62.78 -36.05 81.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.105 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -92.64 -28.7 16.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.417 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -74.75 -4.9 40.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.131 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -126.68 103.72 7.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.554 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 80.9 mt -83.6 -24.98 7.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.596 -179.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.563 ' C ' ' HD3' ' A' ' 72' ' ' LYS . 59.6 m-20 -71.47 6.62 1.73 Allowed 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 111.729 0.27 . . . . 0.0 111.729 -179.634 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.563 ' HD3' ' C ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER 32.36 43.29 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 122.755 0.422 . . . . 0.0 111.716 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 80.4 p -104.59 -3.33 23.96 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.841 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 82.65 0.72 90.27 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.594 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.786 HG22 HG22 ' A' ' 41' ' ' THR . 70.1 p -125.11 126.17 44.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.705 0.288 . . . . 0.0 110.637 179.715 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.569 HG23 ' HB ' ' A' ' 40' ' ' ILE . 6.3 tt -93.22 122.67 44.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.998 0.428 . . . . 0.0 111.603 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.426 ' HA ' ' HZ ' ' A' ' 29' ' ' PHE . 10.3 p-10 -121.01 163.1 18.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.659 179.401 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 1.044 ' HB2' ' HB3' ' A' ' 21' ' ' GLU . 0.1 OUTLIER -57.01 -13.7 2.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.485 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -79.91 -30.67 42.22 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.372 179.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.523 ' OE1' ' HA ' ' A' ' 76' ' ' ILE . 46.7 mt-10 -86.42 -54.97 4.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.719 0.295 . . . . 0.0 110.628 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -38.13 -39.8 0.44 Allowed 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.73 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.765 HD11 ' HB2' ' A' ' 21' ' ' GLU . 75.1 mt -59.99 -58.05 8.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.816 0.341 . . . . 0.0 110.864 179.69 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.97 -15.85 62.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.107 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.83 77.92 0.87 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.861 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 7.5 t -165.12 134.55 3.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.505 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 59.7 t 65.93 -80.45 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.057 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.969 179.845 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 80.4 t60 . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.754 0.311 . . . . 0.0 111.076 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.6 p -95.64 159.81 14.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.7 p -71.03 -72.12 0.22 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.155 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.61 69.46 0.13 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.577 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -127.75 15.6 6.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.887 0.375 . . . . 0.0 111.08 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.705 HG22 ' H ' ' A' ' 8' ' ' ASP . 2.7 mp -91.87 120.24 40.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.739 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.638 ' HA ' ' HB2' ' A' ' 11' ' ' LYS . 12.3 p-10 -90.18 32.27 0.94 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.761 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.705 ' H ' HG22 ' A' ' 6' ' ' ILE . 36.6 t70 -120.29 -12.92 8.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.941 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -150.78 -24.11 0.22 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.523 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -98.27 -56.14 2.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.109 0.48 . . . . 0.0 111.438 -179.612 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.638 ' HB2' ' HA ' ' A' ' 7' ' ' ASP . 32.2 mmmt -89.39 -9.38 50.53 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.258 -179.626 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.9 p-80 -66.54 -15.44 63.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.09 0.471 . . . . 0.0 110.115 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 3.6 ppp? -52.12 -19.13 1.76 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.918 -179.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.47 -33.61 74.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.829 0.347 . . . . 0.0 111.177 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -129.9 37.43 3.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.227 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.411 ' HG2' HH11 ' A' ' 16' ' ' ARG . 21.3 ptt-85 -84.95 12.77 6.91 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.86 0.362 . . . . 0.0 110.586 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.533 ' N ' HD22 ' A' ' 17' ' ' LEU . 2.8 mm? -71.48 107.68 4.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.702 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 72.4 p -147.66 97.92 2.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.956 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -73.41 -14.04 61.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -72.28 -18.5 61.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.09 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -121.46 -51.3 2.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.276 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.543 ' HA ' ' HB3' ' A' ' 25' ' ' LEU . 66.4 mt -55.49 -15.34 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.745 -179.605 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -51.63 -66.0 2.82 Favored Glycine 0 C--N 1.332 0.331 0 C-N-CA 120.531 -0.842 . . . . 0.0 112.599 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -95.9 -13.43 49.96 Favored Glycine 0 N--CA 1.453 -0.183 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.22 179.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.709 HD23 ' O ' ' A' ' 25' ' ' LEU . 10.5 tt -55.61 -10.82 0.75 Allowed 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 122.525 0.33 . . . . 0.0 111.731 -179.431 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.566 ' HB3' ' NZ ' ' A' ' 26' ' ' LYS . 8.5 mtpm? -89.03 -68.12 0.79 Allowed 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -179.157 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -89.64 -68.26 0.79 Allowed 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 114.409 1.263 . . . . 0.0 114.409 -177.339 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.476 ' O ' HG13 ' A' ' 32' ' ' ILE . 95.3 mt -69.4 -68.21 0.42 Allowed 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 114.48 1.289 . . . . 0.0 114.48 -176.239 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.653 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 13.7 t80 -36.89 -46.18 0.61 Allowed 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 -176.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.515 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 59.1 mtpt -62.66 -50.81 69.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.973 0.416 . . . . 0.0 111.02 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 54.3 ttp -64.69 -14.45 58.49 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.181 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.476 HG13 ' O ' ' A' ' 28' ' ' LEU . 67.3 mt -92.9 -59.01 3.25 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.314 0 CA-C-O 121.232 0.539 . . . . 0.0 110.459 -179.602 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.612 ' HA ' HG13 ' A' ' 40' ' ' ILE . 8.2 t0 -62.05 98.56 0.11 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.96 179.645 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 82.3 m -58.68 -10.24 2.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.437 0.637 . . . . 0.0 109.305 179.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.662 ' OD1' ' HB3' ' A' ' 37' ' ' SER . 10.5 t0 -108.78 -19.43 13.42 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.064 -0.971 . . . . 0.0 111.408 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 74.6 m-80 52.17 15.17 0.41 Allowed 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 120.806 -0.358 . . . . 0.0 111.095 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.662 ' HB3' ' OD1' ' A' ' 35' ' ' ASP . 98.2 p -74.42 -17.92 60.73 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-O 121.493 0.663 . . . . 0.0 109.412 179.651 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.515 ' HA2' ' HE2' ' A' ' 29' ' ' PHE . . . 111.63 4.69 26.44 Favored Glycine 0 N--CA 1.452 -0.282 0 CA-C-N 114.904 -1.043 . . . . 0.0 113.009 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 61.1 p -147.65 131.6 17.17 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.381 -0.229 . . . . 0.0 110.381 179.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.612 HG13 ' HA ' ' A' ' 33' ' ' ASP . 2.5 mp -104.38 133.35 48.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.828 0.347 . . . . 0.0 111.631 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.546 HG22 ' OG1' ' A' ' 75' ' ' THR . 52.8 p -127.96 140.59 51.9 Favored 'General case' 0 C--O 1.218 -0.564 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 178.564 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -34.52 -49.13 0.39 Allowed 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 123.099 0.56 . . . . 0.0 112.177 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -56.39 -43.46 79.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.012 0.434 . . . . 0.0 110.518 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.454 ' HG3' ' OG1' ' A' ' 41' ' ' THR . 25.7 mt-10 -85.26 -20.08 30.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.05 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.584 HD13 HG21 ' A' ' 40' ' ' ILE . 55.3 tp -67.41 -65.23 0.71 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.665 -178.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.686 ' HB3' HG21 ' A' ' 61' ' ' ILE . 14.7 ptmm? -56.55 -33.32 66.01 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.349 -179.327 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.68 ' HA ' ' HG2' ' A' ' 50' ' ' LYS . 50.2 t0 -58.45 -15.5 11.15 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.041 0.448 . . . . 0.0 110.903 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.527 ' O ' HG23 ' A' ' 52' ' ' VAL . . . -91.29 -39.38 5.69 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.973 -0.632 . . . . 0.0 112.101 -179.621 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.524 HD13 HD13 ' A' ' 56' ' ' LEU . 91.5 mt -90.46 -13.45 34.78 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.879 0.371 . . . . 0.0 110.529 179.64 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.68 ' HG2' ' HA ' ' A' ' 47' ' ' ASP . 19.9 ptmt -86.51 -43.33 12.83 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.072 179.686 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.515 ' HA ' ' NE ' ' A' ' 51' ' ' ARG . 6.2 tpm_? -61.09 -15.69 35.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.191 179.407 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 48' ' ' GLY . 94.0 t -77.53 -31.67 17.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.036 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 52.45 48.2 55.29 Favored Glycine 0 C--N 1.33 0.237 0 C-N-CA 120.99 -0.624 . . . . 0.0 112.912 179.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 42.7 p -93.24 -96.85 0.14 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.718 0.259 . . . . 0.0 110.944 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -144.93 22.31 1.58 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.997 0.427 . . . . 0.0 110.662 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.524 HD13 HD13 ' A' ' 49' ' ' LEU . 93.1 mt -91.64 147.93 22.64 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 121.366 0.603 . . . . 0.0 112.027 -179.55 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.411 ' C ' ' H ' ' A' ' 59' ' ' SER . 50.6 ttm -111.89 137.07 50.37 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.001 -1.0 . . . . 0.0 109.477 179.023 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -53.29 -10.5 0.22 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.734 -179.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.411 ' H ' ' C ' ' A' ' 57' ' ' MET . 80.9 p -76.47 -31.41 57.76 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.345 -179.344 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.422 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 50.3 mt-10 -74.83 -23.69 58.49 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.693 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.686 HG21 ' HB3' ' A' ' 46' ' ' LYS . 37.9 mm -64.16 -20.27 26.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.968 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.612 ' HB3' ' NZ ' ' A' ' 62' ' ' LYS . 0.1 OUTLIER -73.2 -65.12 0.85 Allowed 'General case' 0 CA--C 1.513 -0.474 0 CA-C-N 116.152 -0.477 . . . . 0.0 109.765 179.479 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -57.31 -17.19 11.01 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 178.076 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.422 ' HB2' ' O ' ' A' ' 60' ' ' GLU . 36.4 tp -81.0 -42.82 20.56 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.019 -0.991 . . . . 0.0 110.794 179.633 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.483 ' HB2' ' CD2' ' A' ' 45' ' ' LEU . 11.7 tmm? -88.28 -60.65 1.91 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.157 -179.552 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -44.42 -27.83 0.49 Allowed 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.102 -0.499 . . . . 0.0 112.086 -179.245 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -89.17 -44.47 10.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.681 0.277 . . . . 0.0 111.554 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.87 -28.17 69.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.409 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.66 ' HB2' ' HB ' ' A' ' 76' ' ' ILE . 8.1 t70 -126.39 96.75 4.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.21 0.528 . . . . 0.0 110.864 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.509 ' O ' ' HG3' ' A' ' 72' ' ' LYS . 64.4 mt -84.09 -10.32 11.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.606 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.572 ' HB2' HG23 ' A' ' 85' ' ' THR . 39.0 t70 -58.81 -9.11 1.59 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.005 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.509 ' HG3' ' O ' ' A' ' 70' ' ' ILE . 41.4 mttp 66.66 0.67 1.92 Allowed 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.944 179.723 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 79.8 p -80.03 -8.19 59.24 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.222 -179.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 78.24 -8.46 39.14 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.644 -0.789 . . . . 0.0 111.877 -179.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.546 ' OG1' HG22 ' A' ' 41' ' ' THR . 69.3 m -116.52 127.53 54.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.643 0.259 . . . . 0.0 110.407 179.741 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.66 ' HB ' ' HB2' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -97.72 135.62 31.53 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 CA-C-O 121.305 0.574 . . . . 0.0 111.639 -179.889 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.567 ' HB3' ' HG3' ' A' ' 80' ' ' GLU . 9.7 t70 -109.77 159.73 16.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 114.848 -1.069 . . . . 0.0 109.825 179.215 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.606 ' O ' HG22 ' A' ' 82' ' ' ILE . 34.2 m-85 -45.89 -50.62 14.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.802 0.334 . . . . 0.0 111.806 -179.357 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -72.62 -14.57 77.73 Favored Glycine 0 C--N 1.331 0.258 0 CA-C-N 115.944 -0.571 . . . . 0.0 114.098 -178.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.567 ' HG3' ' HB3' ' A' ' 77' ' ' ASP . 93.1 mt-10 -81.81 -53.12 6.44 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.034 0.445 . . . . 0.0 110.726 -179.678 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.528 ' HB2' HD11 ' A' ' 76' ' ' ILE . 32.5 t80 -59.41 -30.31 68.37 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.8 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.606 HG22 ' O ' ' A' ' 78' ' ' TYR . 12.5 tt -89.44 -58.24 3.64 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -178.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.56 ' N ' HG23 ' A' ' 82' ' ' ILE . . . -86.22 -67.11 0.83 Allowed 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 111.809 0.3 . . . . 0.0 111.809 -179.17 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -175.45 -72.6 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.301 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.682 HG22 HG13 ' A' ' 86' ' ' VAL . 93.0 m -140.13 -83.21 0.24 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.982 -179.669 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.682 HG13 HG22 ' A' ' 85' ' ' THR . 34.1 m -131.89 -179.65 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.256 -179.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.213 -0.899 . . . . 0.0 111.048 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 7.4 p80 . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.84 0.353 . . . . 0.0 111.237 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.8 p -82.19 10.58 6.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.81 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.2 p -77.03 126.93 31.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.025 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.95 -12.22 52.74 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.511 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 18.4 m80 -111.39 -37.67 5.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.709 0.29 . . . . 0.0 110.913 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 46.0 mt -105.02 66.48 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.078 0.465 . . . . 0.0 110.768 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -148.03 -155.96 0.68 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.759 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -83.19 51.98 2.09 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.013 0.435 . . . . 0.0 110.675 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.503 ' HB2' ' HD2' ' A' ' 11' ' ' LYS . 2.0 p30 -102.61 175.61 5.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.068 -179.75 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -98.96 -13.98 19.71 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 113.369 0.877 . . . . 0.0 113.369 -178.426 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.73 ' H ' ' HD2' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -79.81 -33.68 40.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.04 0.448 . . . . 0.0 111.116 -179.204 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.551 ' HA ' ' HB3' ' A' ' 15' ' ' GLU . 19.0 t-160 -73.41 -34.56 65.55 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.009 179.728 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 15.7 tpt -62.15 -29.49 70.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.696 179.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -96.46 -13.24 23.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.403 179.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.551 ' HB3' ' HA ' ' A' ' 12' ' ' HIS . 14.9 tt0 -84.79 -24.04 28.89 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.714 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -82.35 -59.06 2.67 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.924 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 82.8 mt -107.34 146.19 31.89 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.727 0.299 . . . . 0.0 110.746 179.165 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 48.0 t -103.09 86.96 2.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.061 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.431 ' H ' ' CD ' ' A' ' 19' ' ' GLU . 11.8 pm0 -85.37 -7.58 58.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.736 179.773 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -48.27 -28.82 3.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.044 -179.429 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -134.58 -77.01 0.46 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.74 0.305 . . . . 0.0 111.643 -179.459 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 37.6 pt -56.51 -12.87 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.86 -179.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -50.28 -65.19 3.08 Favored Glycine 0 C--N 1.331 0.264 0 C-N-CA 120.936 -0.65 . . . . 0.0 112.971 -179.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -93.83 -5.58 62.7 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.637 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.637 ' O ' HD13 ' A' ' 25' ' ' LEU . 3.3 tm? -44.31 -26.14 0.3 Allowed 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 122.44 0.296 . . . . 0.0 111.437 -179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.442 ' O ' ' HG2' ' A' ' 30' ' ' LYS . 28.0 tptp -85.45 -67.98 0.76 Allowed 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 -179.041 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.486 ' O ' ' HB2' ' A' ' 31' ' ' MET . 48.6 mt-10 -89.92 -68.39 0.78 Allowed 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 114.141 1.163 . . . . 0.0 114.141 -177.608 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.405 ' O ' HG12 ' A' ' 32' ' ' ILE . 1.5 tm? -60.15 -68.33 0.3 Allowed 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 113.029 0.751 . . . . 0.0 113.029 -176.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.619 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 12.6 t80 -45.25 -45.43 11.92 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -177.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.486 ' HG3' ' N ' ' A' ' 31' ' ' MET . 0.1 OUTLIER -66.75 -43.22 84.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.941 0.4 . . . . 0.0 110.681 -179.397 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.486 ' HB2' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -63.3 -16.2 59.6 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.798 -179.635 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.405 HG12 ' O ' ' A' ' 28' ' ' LEU . 48.1 mm -92.75 -45.85 14.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.568 179.774 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.609 ' HB2' HD11 ' A' ' 40' ' ' ILE . 57.5 t0 -66.09 117.09 7.92 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.554 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 63.5 m -65.7 -10.45 36.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.401 0.619 . . . . 0.0 109.352 179.181 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 37' ' ' SER . 59.0 m-20 -111.92 -10.14 13.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.394 179.752 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 11.4 p-10 40.91 26.98 0.03 OUTLIER 'General case' 0 C--O 1.231 0.129 0 CA-C-O 121.069 0.461 . . . . 0.0 110.39 -179.297 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.418 ' N ' ' O ' ' A' ' 35' ' ' ASP . 77.2 p -86.27 -16.68 36.83 Favored 'General case' 0 CA--C 1.513 -0.466 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 179.467 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 109.21 13.36 17.75 Favored Glycine 0 N--CA 1.45 -0.39 0 CA-C-N 114.587 -1.188 . . . . 0.0 112.463 179.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.717 ' HB ' HG21 ' A' ' 75' ' ' THR . 43.6 p -147.62 131.47 17.07 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.675 0.274 . . . . 0.0 110.336 179.632 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.609 HD11 ' HB2' ' A' ' 33' ' ' ASP . 2.0 mp -108.02 146.75 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.874 0.368 . . . . 0.0 111.13 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.486 ' O ' ' N ' ' A' ' 45' ' ' LEU . 11.7 m -132.99 159.9 38.66 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.767 178.788 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -34.99 -60.64 0.45 Allowed 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 123.465 0.706 . . . . 0.0 112.505 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -52.29 -39.52 60.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.938 0.399 . . . . 0.0 111.08 -179.351 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -88.21 -14.19 39.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.096 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.486 ' N ' ' O ' ' A' ' 41' ' ' THR . 48.6 tp -71.61 -58.98 3.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.299 -179.225 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.456 ' HB3' HG21 ' A' ' 61' ' ' ILE . 21.7 ptmt -56.53 -28.05 59.06 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.307 -179.371 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.703 ' HA ' ' HB3' ' A' ' 50' ' ' LYS . 36.0 t70 -52.3 -16.91 0.95 Allowed 'General case' 0 C--N 1.332 -0.185 0 O-C-N 123.212 0.32 . . . . 0.0 111.175 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -69.75 -52.55 19.63 Favored Glycine 0 N--CA 1.45 -0.412 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.114 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 90.1 mt -90.25 -12.34 38.22 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 178.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.703 ' HB3' ' HA ' ' A' ' 47' ' ' ASP . 23.4 tptm -82.9 -25.48 32.42 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.487 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.418 HH11 ' HG3' ' A' ' 51' ' ' ARG . 39.0 ttt85 -73.1 -23.71 60.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.839 179.356 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 12.3 p -98.85 -29.22 3.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.945 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 53.84 48.81 60.79 Favored Glycine 0 C--N 1.332 0.358 0 C-N-CA 121.009 -0.615 . . . . 0.0 113.154 179.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 71.2 m -97.58 -104.98 0.18 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.757 0.278 . . . . 0.0 111.032 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -120.71 74.74 1.08 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.927 0.394 . . . . 0.0 110.735 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.841 HD23 ' H ' ' A' ' 56' ' ' LEU . 0.9 OUTLIER -108.73 166.26 10.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.294 179.804 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.421 ' O ' HG12 ' A' ' 61' ' ' ILE . 84.8 mmm -126.28 110.35 13.3 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.043 179.053 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -55.09 -15.25 2.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.557 0.694 . . . . 0.0 109.451 179.14 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.412 ' N ' ' C ' ' A' ' 57' ' ' MET . 78.5 p -87.86 -39.22 15.0 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 114.66 -1.155 . . . . 0.0 110.992 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 43.4 tp10 -66.19 -32.66 74.23 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.183 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.456 HG21 ' HB3' ' A' ' 46' ' ' LYS . 43.3 mm -55.52 -23.74 14.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.689 179.673 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.437 ' C ' ' N ' ' A' ' 64' ' ' LEU . 12.5 mmmm -73.24 -63.17 1.24 Allowed 'General case' 0 CA--C 1.513 -0.478 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 178.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.764 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 37.4 t70 -55.93 -16.9 5.35 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 177.369 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.437 ' N ' ' C ' ' A' ' 62' ' ' LYS . 33.5 tp -87.46 -32.94 19.22 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 114.668 -1.151 . . . . 0.0 110.643 179.549 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 9.0 tmm? -88.7 -69.58 0.7 Allowed 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 -178.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -70.67 -54.8 10.5 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -178.198 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.764 ' HB3' ' O ' ' A' ' 63' ' ' ASP . . . -50.7 -45.6 58.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.604 0.24 . . . . 0.0 111.583 -179.28 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.18 -62.22 1.67 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.871 0.367 . . . . 0.0 110.719 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.519 ' HA ' ' HB3' ' A' ' 80' ' ' GLU . 7.5 t70 -66.96 104.84 1.47 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.616 179.423 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 9.8 tp -83.52 -16.75 11.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.891 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -63.19 -5.83 3.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.352 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 41.26 26.71 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.423 -179.693 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 79.1 p -87.73 2.09 52.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.876 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 77.17 -11.61 15.66 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.687 -0.768 . . . . 0.0 111.799 -179.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.717 HG21 ' HB ' ' A' ' 39' ' ' THR . 69.8 m -117.66 134.33 55.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.685 0.279 . . . . 0.0 110.375 179.692 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.456 HG23 ' HB ' ' A' ' 40' ' ' ILE . 15.0 tt -99.03 131.05 47.0 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 CA-C-O 121.11 0.481 . . . . 0.0 111.211 -179.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.442 ' H ' ' CG ' ' A' ' 80' ' ' GLU . 10.3 t70 -117.98 157.93 25.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.028 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -52.57 -26.31 12.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.782 0.325 . . . . 0.0 111.012 -179.438 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -77.77 -30.97 51.03 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.936 -0.65 . . . . 0.0 112.753 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.519 ' HB3' ' HA ' ' A' ' 69' ' ' ASP . 67.1 mm-40 -56.83 -47.77 79.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.65 0.262 . . . . 0.0 110.671 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -43.4 -41.41 4.18 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.723 179.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 47.6 mm -77.77 -38.59 25.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.197 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.17 -24.42 58.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.242 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -104.0 101.09 10.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.083 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 68.6 p -116.85 159.97 21.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.825 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 35.8 m -87.11 150.66 3.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.199 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.31 -0.852 . . . . 0.0 111.043 179.888 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.719 0.295 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.9 t -72.23 141.89 48.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.815 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.5 t -125.24 48.33 2.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.72 -43.68 0.35 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.515 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 15.2 m80 -112.76 67.98 0.67 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.811 0.338 . . . . 0.0 110.912 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.517 HG23 ' HB3' ' A' ' 10' ' ' ASP . 3.1 tt -97.4 106.77 19.01 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.511 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.032 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -78.25 69.39 4.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.486 -179.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -132.23 -80.38 0.5 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.867 179.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.479 ' O ' ' HB3' ' A' ' 13' ' ' MET . 1.9 m-20 -140.65 6.23 2.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.856 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.517 ' HB3' HG23 ' A' ' 6' ' ' ILE . 34.1 t0 -94.17 -63.33 1.2 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.1 0.476 . . . . 0.0 111.775 -179.002 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.52 ' HD3' ' N ' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -86.23 -33.64 20.68 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.805 -178.619 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.52 ' N ' ' HD3' ' A' ' 11' ' ' LYS . 3.4 m-70 -75.83 -29.17 58.54 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.531 -179.336 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.479 ' HB3' ' O ' ' A' ' 9' ' ' ASP . 51.7 ttm -87.51 -34.92 18.46 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.583 -179.514 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.17 -3.07 59.04 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 -179.06 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.88 ' HG3' ' HG2' ' A' ' 16' ' ' ARG . 23.8 pt-20 -85.68 -40.56 16.03 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.856 0.36 . . . . 0.0 111.075 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.88 ' HG2' ' HG3' ' A' ' 15' ' ' GLU . 15.0 ptm180 -144.82 -115.8 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.518 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.767 HD23 ' N ' ' A' ' 18' ' ' SER . 7.6 tt -60.99 146.37 47.27 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.98 0.419 . . . . 0.0 111.266 -179.288 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.767 ' N ' HD23 ' A' ' 17' ' ' LEU . 75.3 p -135.94 107.41 6.9 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.264 179.56 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.402 ' HG3' ' CD2' ' A' ' 17' ' ' LEU . 57.4 mt-10 -84.89 -9.23 58.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 112.147 -178.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.605 ' HG3' ' HB3' ' A' ' 78' ' ' TYR . 41.7 tt0 -77.99 -62.81 1.55 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.722 0.296 . . . . 0.0 111.056 -179.597 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.522 ' HA ' ' HB2' ' A' ' 25' ' ' LEU . 8.9 mp0 -59.52 -27.93 66.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.665 -179.675 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 55.6 mt -95.56 -15.82 7.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.819 -179.181 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -94.83 -65.57 1.0 Allowed Glycine 0 CA--C 1.519 0.285 0 C-N-CA 120.147 -1.025 . . . . 0.0 114.124 -178.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -95.49 -41.12 4.0 Favored Glycine 0 CA--C 1.518 0.228 0 C-N-CA 120.618 -0.801 . . . . 0.0 113.995 -178.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.522 ' HB2' ' HA ' ' A' ' 21' ' ' GLU . 4.5 mm? -47.28 -13.98 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -178.643 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -90.2 -69.65 0.71 Allowed 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.803 -0.359 . . . . 0.0 111.927 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.716 ' HG3' ' H ' ' A' ' 28' ' ' LEU . 7.4 pt-20 -91.64 -67.52 0.85 Allowed 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 113.356 0.873 . . . . 0.0 113.356 -179.144 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.716 ' H ' ' HG3' ' A' ' 27' ' ' GLU . 58.1 tp -46.09 -45.78 16.54 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 113.361 0.874 . . . . 0.0 113.361 -177.57 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.531 ' CZ ' ' HB2' ' A' ' 78' ' ' TYR . 2.4 m-85 -76.52 -65.6 0.91 Allowed 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -178.264 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.557 ' HA ' ' OD1' ' A' ' 36' ' ' ASN . 14.1 mmmm -43.47 -33.13 1.02 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.463 -179.193 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -90.56 -35.06 15.26 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -179.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.565 ' HB ' ' O ' ' A' ' 28' ' ' LEU . 24.0 mm -94.92 -65.6 1.11 Allowed 'Isoleucine or valine' 0 CA--C 1.511 -0.542 0 CA-C-O 121.263 0.554 . . . . 0.0 110.788 -179.781 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.628 ' HB2' HD11 ' A' ' 40' ' ' ILE . 31.2 t70 -53.2 94.76 0.01 OUTLIER 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.048 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 65.3 m -58.76 -10.37 2.32 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.557 0.694 . . . . 0.0 109.246 179.622 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.519 ' OD1' ' HB3' ' A' ' 37' ' ' SER . 10.4 t0 -95.86 -24.9 16.23 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.882 179.733 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.557 ' OD1' ' HA ' ' A' ' 30' ' ' LYS . 51.5 m-20 49.85 20.95 0.61 Allowed 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.602 -179.645 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.519 ' HB3' ' OD1' ' A' ' 35' ' ' ASP . 79.1 p -88.53 -19.53 26.26 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 121.154 0.502 . . . . 0.0 110.314 -179.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.458 ' HA2' ' HD2' ' A' ' 29' ' ' PHE . . . 111.53 5.16 26.33 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.46 -0.876 . . . . 0.0 113.058 179.66 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 76.0 p -142.82 130.64 21.57 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 179.228 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.628 HD11 ' HB2' ' A' ' 33' ' ' ASP . 2.0 mp -104.97 139.79 24.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.946 0.403 . . . . 0.0 111.649 -179.516 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.549 ' O ' ' HG2' ' A' ' 44' ' ' GLU . 67.2 p -129.08 144.02 51.06 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.958 178.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.702 ' HB2' ' HG3' ' A' ' 65' ' ' MET . 17.4 t80 -34.74 -47.88 0.36 Allowed 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -179.516 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -50.61 -48.72 57.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.9 0.381 . . . . 0.0 110.877 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.549 ' HG2' ' O ' ' A' ' 41' ' ' THR . 9.7 pt-20 -89.43 -16.08 31.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.566 -179.739 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.443 HD13 HG21 ' A' ' 40' ' ' ILE . 44.2 tp -62.56 -45.27 93.71 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.764 0.316 . . . . 0.0 110.925 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.768 ' HG2' HG21 ' A' ' 61' ' ' ILE . 52.7 mtmt -47.27 -53.77 12.59 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.967 -179.672 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.649 ' HA ' ' HB3' ' A' ' 50' ' ' LYS . 28.9 m-20 -42.17 -23.57 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.331 0 O-C-N 123.352 0.408 . . . . 0.0 112.067 -179.306 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.2 -55.99 18.29 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.615 -0.802 . . . . 0.0 111.615 179.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.51 HD22 ' N ' ' A' ' 49' ' ' LEU . 3.1 mm? -90.42 -12.4 37.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.116 0.484 . . . . 0.0 110.13 179.181 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.649 ' HB3' ' HA ' ' A' ' 47' ' ' ASP . 4.3 tmmm? -68.6 -46.3 69.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.65 -179.773 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.62 ' HG2' ' O ' ' A' ' 47' ' ' ASP . 36.3 mmt180 -41.54 -42.05 2.3 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.969 -179.602 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 35.9 m -89.86 -31.62 5.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 111.618 0.229 . . . . 0.0 111.618 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 38.76 48.41 2.44 Favored Glycine 0 C--N 1.335 0.514 0 C-N-CA 121.201 -0.523 . . . . 0.0 113.015 179.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 48.0 t -65.9 -91.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.747 0.308 . . . . 0.0 111.153 -179.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.461 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 39.0 tp10 -136.96 17.84 3.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.158 0.504 . . . . 0.0 110.208 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.509 ' N ' HD12 ' A' ' 56' ' ' LEU . 5.7 mp -81.53 124.84 29.83 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.521 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 16.0 tpt -79.88 151.34 30.23 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.263 -0.88 . . . . 0.0 109.597 179.098 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.436 ' OE1' ' N ' ' A' ' 58' ' ' GLU . 0.4 OUTLIER -56.8 -10.43 1.05 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.587 -179.641 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 49.1 m -78.16 -22.77 48.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.858 0.361 . . . . 0.0 111.075 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.464 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 16.8 tp10 -78.06 -16.71 57.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.916 179.729 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.768 HG21 ' HG2' ' A' ' 46' ' ' LYS . 26.3 mm -90.59 -46.12 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.761 -179.428 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.63 ' HD3' ' N ' ' A' ' 63' ' ' ASP . 0.0 OUTLIER -77.23 -44.71 29.0 Favored 'General case' 0 C--N 1.333 -0.116 0 N-CA-C 111.711 0.263 . . . . 0.0 111.711 -178.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.63 ' N ' ' HD3' ' A' ' 62' ' ' LYS . 33.9 t70 -62.84 -28.66 70.17 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-O 121.045 0.45 . . . . 0.0 110.283 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.464 ' HB2' ' O ' ' A' ' 60' ' ' GLU . 4.5 mm? -87.19 -25.62 23.96 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.779 179.568 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.702 ' HG3' ' HB2' ' A' ' 42' ' ' PHE . 14.7 tmm? -67.66 -46.4 72.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.533 179.498 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -79.37 -21.24 46.03 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.184 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -82.01 -27.41 33.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.324 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.486 ' HB1' HD12 ' A' ' 76' ' ' ILE . . . -77.05 -56.25 4.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.171 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.43 ' HB2' ' HB ' ' A' ' 76' ' ' ILE . 25.1 t70 -86.31 111.54 20.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.049 0.452 . . . . 0.0 110.795 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.511 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 9.4 tp -83.64 -19.25 9.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.275 -179.554 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -62.53 -5.55 2.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.193 -179.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.511 ' HG2' ' O ' ' A' ' 70' ' ' ILE . 33.8 mmtp 46.87 31.23 1.41 Allowed 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.568 179.302 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 77.8 p -100.74 3.12 41.97 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.176 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 78.99 -15.98 9.47 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.306 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.454 HG22 HG22 ' A' ' 41' ' ' THR . 80.7 p -113.62 128.18 56.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.651 0.262 . . . . 0.0 110.54 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.544 HD11 ' HB2' ' A' ' 81' ' ' PHE . 9.7 tt -99.98 140.04 20.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.316 0 CA-C-O 120.884 0.374 . . . . 0.0 111.346 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -115.0 152.91 31.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.681 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.605 ' HB3' ' HG3' ' A' ' 20' ' ' GLU . 31.6 t80 -54.05 -35.97 62.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.39 -179.683 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -70.31 -25.04 76.23 Favored Glycine 0 CA--C 1.519 0.296 0 C-N-CA 120.954 -0.641 . . . . 0.0 113.54 -179.108 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -88.45 -46.47 9.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 117.005 0.403 . . . . 0.0 111.147 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.544 ' HB2' HD11 ' A' ' 76' ' ' ILE . 28.5 t80 -46.69 -38.88 10.48 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.442 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 72.2 mt -65.44 -41.87 92.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.238 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.05 -26.87 50.99 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.217 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -82.7 -52.88 6.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.148 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 79.4 p -105.4 110.92 23.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.854 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 7.9 p -143.03 -32.06 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.195 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 16.1 m80 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.152 -0.927 . . . . 0.0 110.928 -179.916 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_